,Entry ID,Experimental Method,Deposition Date,Release Date,Ligand,Value,Type,Unit,PDB ID,Total Number of Non-polymer Instances,Refinement Resolution (Å),Structure Determination Methodology,DOI,Expression Host,Source Organism,Macromolecule Name,Entity ID,Ligand ID,Ligand Name,Ligand SMILES,Protein,Molecular Weight
1,7REL,X-RAY DIFFRACTION,2021-07-13,2021-07-21,,,,,7REL,2.0,1.55,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,4OW,N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide,Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C4CCN(CC4)C,BRD4,561.1270000000001
2,7REM,X-RAY DIFFRACTION,2021-07-13,2021-07-21,,,,,7REM,1.0,1.8,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,4OF,N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide,CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc2c(cnc(n2)Nc3ccc(c(c3)F)C4CCN(CC4)C)C(F)(F)F,BRD4,615.0970000000002
4,8EAD,X-RAY DIFFRACTION,2022-08-29,2022-09-07,,,,,8EAD,3.0,1.65,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,UY0,N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide,Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)OCCN4CCCC4,BRD4,559.1360000000001
5,7REK,X-RAY DIFFRACTION,2021-07-13,2021-07-21,,,,,7REK,8.0,1.2,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,R6S,"N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine",Cc1cnc(nc1Nc2ccc3c(c2)N(CC3)S(=O)(=O)C(C)(C)C)Nc4ccc(c(c4)F)C5CCN(CC5)C,BRD4,552.7200000000001
7,4YH3,X-RAY DIFFRACTION,2015-02-26,2016-01-13,Y80,26000.0,IC50,nM,4YH3,1.0,1.6,experimental,10.1016/j.bmcl.2015.04.107,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1, BRD4",1.0,Y80,"4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one",COc1ccc(cc1)C=C(c2ccccc2)C(=O)N3CC(=O)Nc4c3cccc4,BRD4,384.4350000000001
8,5LRQ,X-RAY DIFFRACTION,2016-08-19,2017-08-30,,,,,5LRQ,1.0,1.7,experimental,10.1016/j.ejmech.2019.05.057,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,4WG,"2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O,BRD4,474.5650000000003
9,5UY9,X-RAY DIFFRACTION,2017-02-23,2017-04-26,,,,,5UY9,3.0,1.85,experimental,10.1038/onc.2017.137,Escherichia coli,Homo sapiens,"Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Peptidyl-prolyl cis-trans isomerase Pin1, PPIase Pin1, Rotamase Pin1",1.0,PE4,2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL,CCOCCOCCOCCOCCOCCOCCOCCO,BRD4,354.4400000000001
11,4YH4,X-RAY DIFFRACTION,2015-02-26,2016-01-13,Y81,26000.0,IC50,nM,4YH4,3.0,1.33,experimental,10.1016/j.bmcl.2015.04.107,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1, BRD4",1.0,Y81,"4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one",c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4,BRD4,329.359
14,4DON,X-RAY DIFFRACTION,2012-02-09,2013-02-13,,,,,4DON,1.0,1.52,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,3PF,"3-methyl-3,4-dihydroquinazolin-2(1H)-one",CN1Cc2ccccc2NC1=O,BRD4,162.19199999999995
15,4HXK,X-RAY DIFFRACTION,2012-11-12,2013-04-03,,,,,4HXK,1.0,1.61,experimental,10.1021/jm301793a,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1AJ,"6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone",c1csc2c1CN(CC2)C(=O)n3ccnc3,BRD4,233.29600000000002
16,4HXL,X-RAY DIFFRACTION,2012-11-12,2013-04-03,,,,,4HXL,1.0,1.52,experimental,10.1021/jm301793a,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1A9,"3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide",c1cc(sc1)S(=O)(=O)Nc2cc(cc(c2)NC(=O)CCC3CCCCC3)C4=CSC(=O)N4,BRD4,491.6600000000004
17,4HXM,X-RAY DIFFRACTION,2012-11-12,2013-04-03,,,,,4HXM,1.0,1.5,experimental,10.1021/jm301793a,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1A8,"N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide",CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3,BRD4,423.54100000000005
18,4HXN,X-RAY DIFFRACTION,2012-11-12,2013-04-03,,,,,4HXN,1.0,1.49,experimental,10.1021/jm301793a,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1A7,"4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one",c1ccc(c(c1)C2=CSC(=O)N2)F,BRD4,195.21799999999996
19,4HXO,X-RAY DIFFRACTION,2012-11-12,2013-04-03,,,,,4HXO,1.0,1.76,experimental,10.1021/jm301793a,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1A6,"3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine",Cc1cc(on1)CSc2nnc3n2cccc3,BRD4,246.29500000000004
20,4HXP,X-RAY DIFFRACTION,2012-11-12,2013-04-03,,,,,4HXP,1.0,1.73,experimental,10.1021/jm301793a,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1A5,"4-(2-oxo-1,3-oxazolidin-3-yl)benzamide",c1cc(ccc1C(=O)N)N2CCOC2=O,BRD4,206.20099999999994
21,4HXR,X-RAY DIFFRACTION,2012-11-12,2013-04-03,,,,,4HXR,1.0,1.53,experimental,10.1021/jm301793a,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1A4,"N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide",c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3,BRD4,338.435
22,4HXS,X-RAY DIFFRACTION,2012-11-12,2013-04-03,,,,,4HXS,1.0,1.43,experimental,10.1021/jm301793a,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1A3,"N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide",c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3,BRD4,346.43300000000005
24,4MEN,X-RAY DIFFRACTION,2013-08-27,2013-09-25,,,,,4MEN,2.0,1.81,experimental,10.1021/jm4011302,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,25K,"N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine",Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C,BRD4,267.336
25,4MEP,X-RAY DIFFRACTION,2013-08-27,2013-09-25,,,,,4MEP,1.0,1.85,experimental,10.1021/jm4011302,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,24Y,"3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one",Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl,BRD4,363.8080000000001
27,4MEQ,X-RAY DIFFRACTION,2013-08-27,2013-09-25,,,,,4MEQ,2.0,1.77,experimental,10.1021/jm4011302,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,25O,"5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine",Cc1cc(n2c(n1)nc(n2)N)c3ccccc3,BRD4,225.25500000000002
28,4O77,X-RAY DIFFRACTION,2013-12-24,2014-03-05,2RE,3400.0,IC50,nM,4O77,2.0,2,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2RE,4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol,c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O,BRD4,331.34999999999997
31,4O7A,X-RAY DIFFRACTION,2013-12-24,2014-03-05,,,,,4O7A,5.0,1.34,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2RF,"3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione",c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O,BRD4,349.17300000000006
33,4O7B,X-RAY DIFFRACTION,2013-12-24,2014-03-05,,,,,4O7B,4.0,1.5,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2RJ,"2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine",Cc1cccc(c1C)Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F,BRD4,443.52600000000024
35,4O7C,X-RAY DIFFRACTION,2013-12-24,2014-03-05,,,,,4O7C,2.0,1.55,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2RK,"4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine",C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2,BRD4,373.46000000000004
37,4QR3,X-RAY DIFFRACTION,2014-06-30,2015-07-01,,,,,4QR3,1.0,1.374,experimental,10.1021/jm501504k,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,BNJ,"N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide",c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3,BRD4,324.42699999999996
38,4QR4,X-RAY DIFFRACTION,2014-06-30,2015-07-01,,,,,4QR4,1.0,1.28,experimental,10.1021/jm501504k,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,BNK,"2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide",c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl,BRD4,358.8720000000002
39,4QR5,X-RAY DIFFRACTION,2014-06-30,2015-07-01,,,,,4QR5,1.0,1.41,experimental,10.1021/jm501504k,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,BNM,"N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide",c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4,BRD4,407.5170000000002
40,5H21,X-RAY DIFFRACTION,2016-10-13,2017-07-05,,,,,5H21,1.0,1.591,experimental,10.1039/c7md00083a,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,RMR,"3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide",COc1cc(cc(c1OC)OC)C(=O)NCCc2cccs2,BRD4,321.39799999999997
41,5HQ5,X-RAY DIFFRACTION,2016-01-21,2017-01-25,,,,,5HQ5,1.0,1.6,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,64Q,"7-methyl-N-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine",Cc1ccccc1Nc2cc(nc3n2cnn3)C,BRD4,239.282
42,5HQ6,X-RAY DIFFRACTION,2016-01-21,2017-01-25,,,,,5HQ6,1.0,1.95,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,64R,"(2R)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one",Cc1ccc2c(c1)NC(=O)C(O2)C,BRD4,177.203
43,5HQ7,X-RAY DIFFRACTION,2016-01-21,2017-01-25,,,,,5HQ7,1.0,1.9,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,64S,"N-ethyl-6,7-dimethoxyquinazolin-4-amine",CCNc1c2cc(c(cc2ncn1)OC)OC,BRD4,233.27099999999996
45,5O97,X-RAY DIFFRACTION,2017-06-15,2018-06-27,9OE,22000.0,IC50,nM,5O97,2.0,1.3,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,9OE,"(5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one",COc1cc(ccc1O)C=C2C(=NC(=O)S2)N,BRD4,250.27899999999997
47,5TI2,X-RAY DIFFRACTION,2016-09-30,2017-08-09,,,,,5TI2,4.0,1.65,experimental,10.1021/acsomega.7b00553,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7CJ,3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide,c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F,BRD4,334.372
48,5TI3,X-RAY DIFFRACTION,2016-09-30,2017-08-09,,,,,5TI3,5.0,1.703,experimental,10.1021/acsomega.7b00553,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7CG,"2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide",c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br,BRD4,474.17400000000004
51,5TI4,X-RAY DIFFRACTION,2016-09-30,2017-08-09,,,,,5TI4,5.0,1.62,experimental,10.1021/acsomega.7b00553,Pheidole spadonia,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7CM,3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide,c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F,BRD4,368.81700000000006
52,5TI5,X-RAY DIFFRACTION,2016-10-01,2017-08-09,,,,,5TI5,5.0,1.83,experimental,10.1021/acsomega.7b00553,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7CN,"3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide",c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br,BRD4,393.262
54,5TI6,X-RAY DIFFRACTION,2016-10-01,2017-08-09,,,,,5TI6,4.0,1.704,experimental,10.1021/acsomega.7b00553,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7CO,"2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide",c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F,BRD4,352.362
56,5TI7,X-RAY DIFFRACTION,2016-10-01,2017-08-09,,,,,5TI7,5.0,1.65,experimental,10.1021/acsomega.7b00553,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7CQ,5-bromo-2-methoxy-N-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide,COc1ccc(cc1S(=O)(=O)Nc2cccc(c2)N3CCCC3=O)Br,BRD4,425.30400000000014
58,5WUU,X-RAY DIFFRACTION,2016-12-21,2017-04-12,,,,,5WUU,1.0,1.724,experimental,10.1016/j.bmcl.2017.03.012,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7UU,~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide,CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3,BRD4,342.4200000000001
60,5Z8G,X-RAY DIFFRACTION,2018-01-31,2019-02-06,99L,32230.0,IC50,nM,5Z8G,2.0,1.701,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,99L,1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one,CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)O,BRD4,360.4350000000002
61,5Z8R,X-RAY DIFFRACTION,2018-02-01,2019-02-06,,,,,5Z8R,1.0,2,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,99O,1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one,CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)O,BRD4,360.4350000000002
62,5Z8Z,X-RAY DIFFRACTION,2018-02-01,2019-02-06,,,,,5Z8Z,1.0,1.8,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,99R,6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one,CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)N,BRD4,359.4510000000002
63,5Z90,X-RAY DIFFRACTION,2018-02-01,2019-02-06,99U,1910.0,IC50,nM,5Z90,1.0,1.8,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,99U,1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one,CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4,BRD4,330.40900000000016
65,5Z9C,SOLUTION NMR,2018-02-02,2018-02-14,,,,,5Z9C,1.0,,experimental,10.1128/JVI.02056-17,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,MQO,8-methoxy-6-methylquinolin-4(1H)-one,Cc1cc2c(c(c1)OC)NC=CC2=O,BRD4,189.214
66,5Z9K,X-RAY DIFFRACTION,2018-02-03,2019-02-06,,,,,5Z9K,1.0,1.89,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,99X,1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one,CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4CO,BRD4,360.4350000000002
68,6AJV,X-RAY DIFFRACTION,2018-08-28,2019-06-12,,,,,6AJV,5.0,1.45,experimental,10.1111/febs.14736,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,HCC,"2',4,4'-TRIHYDROXYCHALCONE",c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O,BRD4,256.25699999999995
72,6AJX,X-RAY DIFFRACTION,2018-08-28,2019-06-12,,,,,6AJX,3.0,1.887,experimental,10.1111/febs.14736,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,HCC,"2',4,4'-TRIHYDROXYCHALCONE",c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O,BRD4,256.25699999999995
74,6AJY,X-RAY DIFFRACTION,2018-08-28,2019-06-12,,,,,6AJY,3.0,1.6,experimental,10.1111/febs.14736,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A0R,"2',4'-dihydroxy-2-methoxychalcone",COc1ccccc1C=CC(=O)c2ccc(cc2O)O,BRD4,270.284
76,6AJZ,"X-RAY DIFFRACTION, NEUTRON DIFFRACTION",2018-08-28,2019-06-12,,,,,6AJZ,2.0,"1.301, 1.847",experimental,10.1111/febs.14736,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,LOC,"N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide",CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,BRD4,399.44300000000015
80,6G0F,X-RAY DIFFRACTION,2018-03-18,2020-01-08,,,,,6G0F,2.0,1.618,experimental,10.26434/chemrxiv.11472618,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EGH,"(4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one",COc1cc2c(c(c1OC)OC)C(CC(=O)N2)c3cc(ccc3F)Br,BRD4,410.23900000000003
82,6JJ5,X-RAY DIFFRACTION,2019-02-25,2020-02-26,,,,,6JJ5,1.0,1.2,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,C6X,"3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide",CN1C2=Cc3cccnc3N(c4c2c(ccc4)C1=O)Cc5cccc(c5)C(=O)N,BRD4,382.4230000000002
83,6JJ6,X-RAY DIFFRACTION,2019-02-25,2020-02-26,,,,,6JJ6,1.0,1.4,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,C89,"1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one",CN1CCN(CC1)C(=O)c2cccc(c2)CN3c4cccc5c4C(=Cc6c3nccc6)N(C5=O)C,BRD4,465.55700000000024
86,6YIN,X-RAY DIFFRACTION,2020-04-01,2020-04-15,OS8,3162.0,Kd,nM,6YIN,1.0,1.53,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,OS8,"(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide",CC1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC,BRD4,422.5290000000003
90,6ZED,X-RAY DIFFRACTION,2020-06-16,2020-07-29,,,,,6ZED,3.0,1.08,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QGN,"4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine",Cc1c(nnc2c1c(n[nH]2)N)C,BRD4,163.184
91,6ZEL,X-RAY DIFFRACTION,2020-06-16,2020-07-29,QGQ,30000.0,IC50,nM,6ZEL,4.0,1.12,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QGQ,"3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole",Cc1cc(ncn1)SCc2c(noc2C)C,BRD4,235.31199999999998
94,6ZF9,X-RAY DIFFRACTION,2020-06-16,2020-07-29,QHE,26000.0,IC50,nM,6ZF9,4.0,1.2,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QHE,"3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole",CCc1nnc2n1c(cs2)c3ccccc3,BRD4,229.308
95,7AQT,SOLUTION NMR,2020-10-23,2022-03-02,,,,,7AQT,1.0,,experimental,10.1021/acs.jmedchem.1c01703,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EAM,"2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide",CCNC(=O)CC1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C,BRD4,423.9040000000001
96,7EHW,X-RAY DIFFRACTION,2021-03-30,2022-03-30,,,,,7EHW,1.0,1.65,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,J4O,1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]ethanone,CCc1c(c([nH]c1c2[nH]c3cc(ccc3n2)N4CCOCC4)C)C(=O)C,BRD4,352.43800000000016
97,7EHY,X-RAY DIFFRACTION,2021-03-30,2022-03-30,,,,,7EHY,1.0,1.51,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YD8,"1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone",Cc1c(c([nH]c1c2[nH]c3ccc(cc3n2)N4CCN(CC4)C)C)C(=O)C,BRD4,351.4540000000002
98,7EIG,X-RAY DIFFRACTION,2021-03-31,2022-04-06,,,,,7EIG,1.0,1.3,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,N03,1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone,Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3n2)N)c4ccccc4)C(=O)C,BRD4,330.3910000000001
99,7MR8,X-RAY DIFFRACTION,2021-05-07,2022-05-11,,,,,7MR8,3.0,1.2,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,ZNJ,N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid,Cc1cnc(nc1Nc2cc(cc(c2)NS(=O)(=O)C(C)(C)C)C(=O)NC(CCC(=O)O)C(=O)O)Nc3ccc(c(c3)F)C(=O)NC4CCNCC4,BRD4,728.8040000000001
101,7RUH,X-RAY DIFFRACTION,2021-08-17,2022-08-24,,,,,7RUH,1.0,1.7,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7QZ,"N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide",CC(c1ccccn1)(c2ccccn2)n3ccc4c3cc(cc4NS(=O)(=O)CC(F)(F)F)C5=CN(C(=O)C(=C5)NC(=O)Nc6ccccc6F)C,BRD4,719.7210000000001
102,7RUI,X-RAY DIFFRACTION,2021-08-17,2022-08-24,,,,,7RUI,1.0,1.35,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7QZ,"N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide",CC(c1ccccn1)(c2ccccn2)n3ccc4c3cc(cc4NS(=O)(=O)CC(F)(F)F)C5=CN(C(=O)C(=C5)NC(=O)Nc6ccccc6F)C,BRD4,719.7210000000001
103,7RXS,X-RAY DIFFRACTION,2021-08-23,2022-01-19,7ZT,100.0,IC50,nM,7RXS,2.0,1.43,experimental,10.1021/acs.jmedchem.1c01779,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7ZT,"2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine",Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3C4CCN(C4)CCN)c5ccc(cc5)I)C,BRD4,580.4740000000003
105,7RXT,X-RAY DIFFRACTION,2021-08-23,2022-01-19,7ZK,260.0,IC50,nM,7RXT,1.0,1.68,experimental,10.1021/acs.jmedchem.1c01779,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7ZK,"2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine",Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3C4CCN(C4)CCN)c5ccc(cc5)I)C,BRD4,580.4740000000003
106,7V1U,X-RAY DIFFRACTION,2021-08-06,2022-08-10,,,,,7V1U,2.0,1.82,experimental,10.1038/s41401-022-00881-y,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5.00E+03,"~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide",CCc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3ccccc3OC,BRD4,362.4070000000001
108,7V2J,X-RAY DIFFRACTION,2021-08-09,2022-08-17,,,,,7V2J,1.0,2.24,experimental,10.1038/s41401-022-00881-y,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5FZ,"~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide",CCc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3ccc(cc3)OC,BRD4,362.4070000000001
109,7WL4,X-RAY DIFFRACTION,2022-01-12,2022-08-10,,,,,7WL4,4.0,1.82,experimental,10.1016/j.bioorg.2022.105917,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,JFU,"~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide",CCN1c2ccc(c3c2c(cc(n3)N4CCN(CC4)C)C1=O)NS(=O)(=O)c5ccc(cc5F)F,BRD4,487.5320000000001
110,7WWZ,X-RAY DIFFRACTION,2022-02-14,2022-06-08,,,,,7WWZ,1.0,1.16,experimental,10.1038/s41388-022-02327-5,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,7OW,"1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one",CC1=CC(=CN(C1=O)C)c2ccc3c(c2)n(c(n3)C4CCOCC4)CCOC(F)(F)F,BRD4,435.4460000000003
111,7ZA8,X-RAY DIFFRACTION,2022-03-22,2022-12-07,,,,,7ZA8,2.0,1.04,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,HGQ,4-bromanyl-1~{H}-pyridin-2-one,C1=CNC(=O)C=C1Br,BRD4,173.99699999999996
112,8C11,X-RAY DIFFRACTION,2022-12-19,2023-12-27,,,,,8C11,1.0,1.8,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,SY0,"(2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide",CCNC(=O)C(C)NC(=O)Cn1cc(cn1)c2c(noc2C)C,BRD4,319.36500000000007
116,8WYP,X-RAY DIFFRACTION,2023-10-31,2024-05-22,,,,,8WYP,2.0,1.24,experimental,10.1016/j.bbrc.2023.149284,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,XUK,"3-bromanylimidazo[1,2-a]pyridin-6-amine",c1cc2ncc(n2cc1N)Br,BRD4,212.04999999999995
117,8ZM8,X-RAY DIFFRACTION,2024-05-22,2024-12-11,,,,,8ZM8,3.0,3,experimental,10.1021/acs.jmedchem.4c02516,Escherichia coli,Homo sapiens,"BRD4_HUMAN, Protein HUNK1",1.0,A1L1X,"2-[2-ethyl-4-(methoxymethyl)-1~{H}-imidazol-5-yl]-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one",CCc1[nH]c(c(n1)COC)c2cc3c(o2)C(=CN(C3=O)C)c4cc(ccc4Oc5c(cc(cc5C)F)C)C(C)(C)O,BRD4,559.6380000000003
119,9QNV,X-RAY DIFFRACTION,2025-03-25,2025-05-14,,,,,9QNV,6.0,1.226,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1I76,"3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole",Cc1nnc2n1c(cs2)c3ccccc3,BRD4,215.281
122,9QOB,X-RAY DIFFRACTION,2025-03-25,2025-05-14,,,,,9QOB,3.0,1.37,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1I8D,"(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanol",c1ccc(cc1)c2csc3n2c(nn3)CO,BRD4,231.27999999999997
124,4MEO,X-RAY DIFFRACTION,2013-08-27,2013-09-25,25V,42000.0,IC50,nM,4MEO,3.0,1.72,experimental,10.1021/jm4011302,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,25V,N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide,Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C,BRD4,292.3380000000001
126,4O70,X-RAY DIFFRACTION,2013-12-24,2014-03-05,,,,,4O70,9.0,1.55,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1QK,"3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium",CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCCC4CCO,BRD4,397.50300000000027
128,4O71,X-RAY DIFFRACTION,2013-12-24,2014-03-05,,,,,4O71,7.0,1.36,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,CPB,"2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE",CN1CCC(C(C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O,BRD4,401.846
130,4O72,X-RAY DIFFRACTION,2013-12-24,2014-03-05,2R4,1000.0,IC50,nM,4O72,10.0,1.4,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2R4,"8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one",c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6,BRD4,413.4980000000003
134,4O74,X-RAY DIFFRACTION,2013-12-24,2014-03-05,R78,37.0,Kd,nM,4O74,6.0,1.45,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,R78,"4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide",CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C,BRD4,521.6660000000003
150,4O76,X-RAY DIFFRACTION,2013-12-24,2014-03-05,1M3,790.0,IC50,nM,4O76,8.0,1.7,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1M3,N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C,BRD4,509.68000000000035
155,4O78,X-RAY DIFFRACTION,2013-12-24,2014-03-05,SAV,4600.0,IC50,nM,4O78,8.0,1.34,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,SAV,"N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine",Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC,BRD4,406.44600000000025
157,4O78,X-RAY DIFFRACTION,2013-12-24,2014-03-05,SAV,4600.0,IC50,nM,4O78,8.0,1.34,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,BRD4,150.174
159,4O7E,X-RAY DIFFRACTION,2013-12-24,2014-03-05,,,,,4O7E,7.0,1.85,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2RN,3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol,c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O,BRD4,313.36
161,4O7F,X-RAY DIFFRACTION,2013-12-24,2014-03-05,,,,,4O7F,9.0,1.8,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2RQ,4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine,COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F,BRD4,445.4980000000002
164,4PS5,X-RAY DIFFRACTION,2014-03-06,2014-03-19,2TA,164.0,Kd,nM,4PS5,6.0,1.4,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2TA,N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4,BRD4,524.6910000000004
168,5BT4,X-RAY DIFFRACTION,2015-06-02,2015-07-01,2LO,7940.0,IC50,nM,5BT4,5.0,1.5,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1, BRD4",1.0,2LO,"2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole",Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CC(C)N4CCOCC4)CCc5ccc(c(c5)Cl)OC,BRD4,509.05000000000035
179,5I88,X-RAY DIFFRACTION,2016-02-18,2016-10-12,69G,330.0,IC50,nM,5I88,6.0,1.4,experimental,10.1021/acs.jmedchem.6b00264,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,BRD4,150.174
182,5I88,X-RAY DIFFRACTION,2016-02-18,2016-10-12,69G,330.0,IC50,nM,5I88,6.0,1.4,experimental,10.1021/acs.jmedchem.6b00264,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,69G,"3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide",CC=CCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C,BRD4,335.4070000000001
184,5WMA,X-RAY DIFFRACTION,2017-07-28,2018-08-01,,,,,5WMA,2.0,1.401,experimental,10.1158/2159-8290.CD-17-0902,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,6JC,"5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine",Cc1c(c(on1)C)c2cc3cc[nH]c3nc2,BRD4,213.24
186,5WMD,X-RAY DIFFRACTION,2017-07-28,2018-08-01,,,,,5WMD,1.0,1.27,experimental,10.1158/2159-8290.CD-17-0902,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,6JE,"2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)O)c5ccc(cc5)Cl)C,BRD4,492.0040000000002
188,5WMG,X-RAY DIFFRACTION,2017-07-28,2018-08-01,,,,,5WMG,4.0,1.19,experimental,10.1158/2159-8290.CD-17-0902,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,6JF,"4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid",Cc1c(c(on1)C)c2cc3c(c(cn3C(C)c4ccccn4)c5ccc(cc5)C(=O)O)nc2,BRD4,438.48700000000014
189,6E4A,X-RAY DIFFRACTION,2018-07-17,2018-09-12,HRY,18.0,Kd,nM,6E4A,5.0,1.26,experimental,10.1016/j.bmcl.2018.08.039,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,HRY,5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one,CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl,BRD4,532.0920000000004
195,6G0E,X-RAY DIFFRACTION,2018-03-18,2020-01-08,,,,,6G0E,6.0,1.613,experimental,10.26434/chemrxiv.11472618,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EGN,4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one,CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC3)C4CCCCC4,BRD4,414.5950000000003
198,6G0H,X-RAY DIFFRACTION,2018-03-18,2020-01-08,,,,,6G0H,3.0,1.907,experimental,10.26434/chemrxiv.11472618,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EGE,4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3cc(c(cc3N)O)C(=O)O,BRD4,413.4150000000002
199,6KEC,X-RAY DIFFRACTION,2019-07-04,2020-07-08,,,,,6KEC,5.0,1.35,experimental,10.3390/molecules26061686,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,D9C,"4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one",CCOc1c(ccc2c1Oc3c(ccc4c3C(=C2)N(C4=O)C)OC)OC,BRD4,353.37400000000014
202,6KEH,X-RAY DIFFRACTION,2019-07-04,2020-07-08,,,,,6KEH,5.0,1.553,experimental,10.3390/molecules26061686,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,D6R,"6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one",CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OC,BRD4,309.321
203,6KEI,X-RAY DIFFRACTION,2019-07-04,2020-07-08,,,,,6KEI,3.0,1.451,experimental,10.3390/molecules26061686,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,D6U,"16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one",CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OCc5ccccn5,BRD4,386.4070000000001
205,6KEJ,X-RAY DIFFRACTION,2019-07-04,2020-07-08,,,,,6KEJ,3.0,1.85,experimental,10.3390/molecules26061686,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,D7F,"6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one",CCN(CC)CCOc1ccc2c(c1)C=C3c4c(ccc(c4O2)OC)C(=O)N3C,BRD4,394.4710000000002
207,6KEK,X-RAY DIFFRACTION,2019-07-04,2020-07-08,,,,,6KEK,8.0,1.553,experimental,10.3390/molecules26061686,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,D7L,"6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one",CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)O,BRD4,295.294
209,6Q3Z,X-RAY DIFFRACTION,2018-12-04,2019-03-06,HG8,260.0,IC50,nM,6Q3Z,9.0,2,experimental,10.1021/acs.jmedchem.8b01947,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,HG8,(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one,CCC1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C,BRD4,534.7300000000004
212,6SE4,X-RAY DIFFRACTION,2019-07-29,2019-08-14,,,,,6SE4,5.0,1.38,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,L8W, (+)-JD1,Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NC45C6=C7[Fe]6489123(C7=C85)C4=C9[C]1C2=C34)c1ccc(cc1)Cl)C,BRD4,574.8540000000003
215,7R9C,X-RAY DIFFRACTION,2021-06-29,2022-01-19,2IR,440.0,IC50,nM,7R9C,7.0,1.5,experimental,10.1021/acs.jmedchem.1c01779,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2IR,"N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine",Cc1ccc(cc1Oc2nccc(n2)c3c(ncn3C4CCN(C4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C(C)C,BRD4,578.6830000000003
217,7RXR,X-RAY DIFFRACTION,2021-08-23,2022-01-19,7ZB,440.0,IC50,nM,7RXR,6.0,1.41,experimental,10.1021/acs.jmedchem.1c01779,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7ZB,"4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine",Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)Br)C,BRD4,503.44800000000026
220,7T3F,X-RAY DIFFRACTION,2021-12-07,2022-08-31,,,,,7T3F,4.0,1.28,experimental,10.1016/j.bmcl.2022.128696,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EM0,"4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide",Cc1cc(ccc1F)S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)N3)C,BRD4,349.3870000000001
221,7YL2,X-RAY DIFFRACTION,2022-07-25,2023-07-26,,,,,7YL2,3.0,1.62,experimental,,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,JCO,N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide,CCN1c2ccc(cc2CC1=O)NS(=O)(=O)C3CCCCC3,BRD4,322.4300000000002
225,7YMG,X-RAY DIFFRACTION,2022-07-28,2023-01-18,,,,,7YMG,8.0,1.4,experimental,10.1038/s41598-023-37527-w,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,JHO,"(2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol",CCc1nnc2n1nc(cc2)NC(Cc3c[nH]c4c3cccc4)CO,BRD4,336.39900000000006
229,7YQ9,X-RAY DIFFRACTION,2022-08-05,2023-01-18,,,,,7YQ9,6.0,1.5,experimental,10.1038/s41598-023-37527-w,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,JLX,"N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine",c1ccc2c(c1)c(c[nH]2)CCNc3ccc4nnc(n4n3)C(F)(F)F,BRD4,346.316
232,7Z9Y,X-RAY DIFFRACTION,2022-03-21,2022-12-07,,,,,7Z9Y,5.0,1.04,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,PYZ,4-IODOPYRAZOLE,c1c(cn[nH]1)I,BRD4,193.975
234,7ZA6,X-RAY DIFFRACTION,2022-03-22,2022-11-23,,,,,7ZA6,4.0,1.12,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,HEW,4-bromanylpyridin-2-amine,c1cnc(cc1Br)N,BRD4,173.01299999999998
236,7ZA7,X-RAY DIFFRACTION,2022-03-22,2022-11-23,,,,,7ZA7,4.0,1.06,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,IIS,4-iodanylpyridin-2-amine,c1cnc(cc1I)N,BRD4,220.01299999999998
238,7ZA9,X-RAY DIFFRACTION,2022-03-22,2022-11-23,,,,,7ZA9,6.0,1.05,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,HHQ,4-iodanyl-3~{H}-pyridin-2-one,C1C(=CC=NC1=O)I,BRD4,220.99699999999999
240,7ZAA,X-RAY DIFFRACTION,2022-03-22,2022-11-23,,,,,7ZAA,2.0,1.15,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,IJX,~{N}-(4-bromophenyl)ethanamide,CC(=O)Nc1ccc(cc1)Br,BRD4,214.06199999999998
242,7ZAD,X-RAY DIFFRACTION,2022-03-22,2022-11-23,,,,,7ZAD,3.0,1.07,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,IJL,4-iodanylbenzamide,c1cc(ccc1C(=O)N)I,BRD4,247.03499999999997
244,7ZAE,X-RAY DIFFRACTION,2022-03-22,2022-11-23,,,,,7ZAE,3.0,1.1,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,IJO,4-bromanyl-2-methoxy-pyridine,COc1cc(ccn1)Br,BRD4,188.024
246,7ZAJ,X-RAY DIFFRACTION,2022-03-22,2022-11-23,,,,,7ZAJ,3.0,1,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,HH8,"4-bromanyl-1,8-naphthyridine",c1cc2c(ccnc2nc1)Br,BRD4,209.046
248,7ZAQ,X-RAY DIFFRACTION,2022-03-22,2022-11-23,,,,,7ZAQ,4.0,1.11,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,3Z7,4-bromo-2-methoxyphenol,COc1cc(ccc1O)Br,BRD4,203.03499999999997
250,7ZAR,X-RAY DIFFRACTION,2022-03-22,2022-11-23,,,,,7ZAR,2.0,1.14,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,IJF,(4-bromanylpyridin-2-yl)methanol,c1cnc(cc1Br)CO,BRD4,188.02399999999997
251,7ZAT,X-RAY DIFFRACTION,2022-03-22,2022-11-23,,,,,7ZAT,2.0,1.15,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,IJU,4-bromanyl-2-(methoxymethyl)pyridine,COCc1cc(ccn1)Br,BRD4,202.051
254,7ZE6,X-RAY DIFFRACTION,2022-03-30,2022-11-23,,,,,7ZE6,2.0,1.04,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1P8,"6-bromo-1,3-dihydro-2H-indol-2-one",c1cc2c(cc1Br)NC(=O)C2,BRD4,212.04599999999996
255,7ZE7,X-RAY DIFFRACTION,2022-03-30,2022-12-07,,,,,7ZE7,3.0,1.23,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,UUJ,5-bromo-2-hydroxybenzonitrile,c1cc(c(cc1Br)C#N)O,BRD4,198.01899999999998
258,7ZEF,X-RAY DIFFRACTION,2022-03-31,2022-11-23,,,,,7ZEF,2.0,1.12,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,UUG,(4-bromo-2-methoxyphenyl)methanol,COc1cc(ccc1CO)Br,BRD4,217.06199999999998
260,7ZEN,X-RAY DIFFRACTION,2022-03-31,2022-11-23,,,,,7ZEN,3.0,1.14,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,UU1,2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol,c1c(cn(n1)CCO)Br,BRD4,191.028
261,7ZFN,X-RAY DIFFRACTION,2022-04-01,2022-11-23,,,,,7ZFN,3.0,1.12,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,IT4,4-bromanyl-2-oxidanyl-benzoic acid,c1cc(c(cc1Br)O)C(=O)O,BRD4,217.01799999999997
263,7ZFO,X-RAY DIFFRACTION,2022-04-01,2022-11-23,,,,,7ZFO,2.0,1.09,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,UUS,4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one,C1=CN(C(=O)C=C1Br)CCO,BRD4,218.04999999999995
266,7ZFS,X-RAY DIFFRACTION,2022-04-01,2022-11-23,,,,,7ZFS,3.0,1.25,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,IS0,"4-bromanyl-1,2-dimethoxy-benzene",COc1ccc(cc1OC)Br,BRD4,217.06199999999998
268,7ZFT,X-RAY DIFFRACTION,2022-04-01,2022-11-23,,,,,7ZFT,4.0,1.28,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,HWC,3-azanyl-5-bromanyl-1-methyl-pyridin-2-one,CN1C=C(C=C(C1=O)N)Br,BRD4,203.039
270,7ZFU,X-RAY DIFFRACTION,2022-04-01,2022-11-23,,,,,7ZFU,4.0,1.29,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,IS6,(2R)-N-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide,CC(=O)N1CCCC1C(=O)NCC#CBr,BRD4,273.13
273,7ZFV,X-RAY DIFFRACTION,2022-04-01,2022-11-23,,,,,7ZFV,2.0,1.37,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,IJR,(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide,CC(C(=O)NCC#CBr)NC(=O)C,BRD4,247.09199999999998
274,7ZFY,X-RAY DIFFRACTION,2022-04-01,2022-11-23,,,,,7ZFY,9.0,1.15,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,ISK,2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide,CC(=O)NCC(=O)NCC#CBr,BRD4,233.06499999999997
276,7ZFZ,X-RAY DIFFRACTION,2022-04-01,2022-11-23,,,,,7ZFZ,3.0,1.08,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,IT8,(2R)-2-acetamido-N-(3-bromanylprop-2-ynyl)-3-methyl-butanamide,CC(C)C(C(=O)NCC#CBr)NC(=O)C,BRD4,275.146
278,7ZG1,X-RAY DIFFRACTION,2022-04-01,2022-11-23,,,,,7ZG1,2.0,1.16,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,T9J,Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide,CC(=O)NC(Cc1ccc(cc1)O)C(=O)NCC#CBr,BRD4,339.18899999999996
280,7ZG2,X-RAY DIFFRACTION,2022-04-01,2022-11-23,,,,,7ZG2,4.0,1.18,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8WS,"(2S)-2,6-diacetamido-N-methyl-hexanamide",CC(=O)NCCCCC(C(=O)NC)NC(=O)C,BRD4,243.30700000000002
282,8ZMB,X-RAY DIFFRACTION,2024-05-22,2024-12-11,,,,,8ZMB,9.0,2.79,experimental,10.1021/acs.jmedchem.4c02516,Escherichia coli,Homo sapiens,"BRD4_HUMAN, Protein HUNK1",1.0,A1L0Y,"7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one",Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5cnc([nH]5)c6ccccc6)C)C(C)(C)O)C)F,BRD4,563.6290000000004
285,8ZMQ,X-RAY DIFFRACTION,2024-05-23,2024-12-11,,,,,8ZMQ,26.0,2.2,experimental,10.1021/acs.jmedchem.4c02516,Escherichia coli,Homo sapiens,"BRD4_HUMAN, Protein HUNK1, Bromodomain-containing protein 4",1.0,A1L12,"2-(2-(adamantan-1-yl)-4-ethyl-1H-imidazol-5-yl)-7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methylfuro[3,2-c]pyridin-4(5H)-one",CCc1c([nH]c(n1)C23CC4CC(C2)CC(C4)C3)c5cc6c(o5)C(=CN(C6=O)C)c7cc(ccc7Oc8c(cc(cc8C)F)C)C(C)(C)O,BRD4,649.8070000000002
291,5I7X,X-RAY DIFFRACTION,2016-02-18,2016-10-12,67B,230.0,IC50,nM,5I7X,1.0,1.1752,experimental,10.1021/acs.jmedchem.6b00264,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 9, Rhabdomyosarcoma antigen MU-RMS-40.8",1.0,67B,"N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide",CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C,BRD4,295.34200000000004
293,5I7Y,X-RAY DIFFRACTION,2016-02-18,2016-10-12,,,,,5I7Y,1.0,1.4514,experimental,10.1021/acs.jmedchem.6b00264,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 9, Rhabdomyosarcoma antigen MU-RMS-40.8",1.0,69G,"3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide",CC=CCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C,BRD4,335.4070000000001
297,7QU7,X-RAY DIFFRACTION,2022-01-17,2022-11-23,,,,,7QU7,8.0,2.13,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,HH8,"4-bromanyl-1,8-naphthyridine",c1cc2c(ccnc2nc1)Br,BRD4,209.046
302,7QUM,X-RAY DIFFRACTION,2022-01-18,2023-03-01,,,,,7QUM,10.0,1.5,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,PYZ,4-IODOPYRAZOLE,c1c(cn[nH]1)I,BRD4,193.975
308,7QWO,X-RAY DIFFRACTION,2022-01-25,2022-11-23,,,,,7QWO,7.0,1.5,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli,Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,HGQ,4-bromanyl-1~{H}-pyridin-2-one,C1=CNC(=O)C=C1Br,BRD4,173.99699999999996
312,7QX1,X-RAY DIFFRACTION,2022-01-26,2022-11-23,,,,,7QX1,10.0,1.49,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli,Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,HHQ,4-iodanyl-3~{H}-pyridin-2-one,C1C(=CC=NC1=O)I,BRD4,220.99699999999999
316,7QXT,X-RAY DIFFRACTION,2022-01-27,2022-11-23,,,,,7QXT,6.0,1.51,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli,Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,1P8,"6-bromo-1,3-dihydro-2H-indol-2-one",c1cc2c(cc1Br)NC(=O)C2,BRD4,212.04599999999996
321,7QYK,X-RAY DIFFRACTION,2022-01-28,2023-03-22,,,,,7QYK,12.0,1.43,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli,Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,IJF,(4-bromanylpyridin-2-yl)methanol,c1cnc(cc1Br)CO,BRD4,188.02399999999997
324,7QYL,X-RAY DIFFRACTION,2022-01-28,2022-11-23,,,,,7QYL,11.0,1.44,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli,Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,UU1,2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol,c1c(cn(n1)CCO)Br,BRD4,191.028
329,7QZM,X-RAY DIFFRACTION,2022-01-31,2023-03-22,,,,,7QZM,12.0,1.45,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli,Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,UUS,4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one,C1=CN(C(=O)C=C1Br)CCO,BRD4,218.04999999999995
333,7QZY,X-RAY DIFFRACTION,2022-02-01,2023-03-22,,,,,7QZY,11.0,1.93,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli,Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,V3U,4-bromanyl-1-(2-methoxyethyl)pyridin-2-one,COCCN1C=CC(=CC1=O)Br,BRD4,232.07699999999997
337,7QZZ,X-RAY DIFFRACTION,2022-02-01,2022-12-07,,,,,7QZZ,7.0,2.52,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli,Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,HHT,2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid,COc1cc(ccc1CC(=O)O)Br,BRD4,245.07199999999997
340,7R00,X-RAY DIFFRACTION,2022-02-01,2022-12-07,HWC,377000.0,IC50,nM,7R00,10.0,1.48,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli,Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,HWC,3-azanyl-5-bromanyl-1-methyl-pyridin-2-one,CN1C=C(C=C(C1=O)N)Br,BRD4,203.039
345,7R05,X-RAY DIFFRACTION,2022-02-01,2022-11-23,,,,,7R05,6.0,1.53,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli,Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,HQX,"(2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide",CCC(C)C(C(=O)NCC#CBr)NC(=O)C,BRD4,289.17300000000006
347,7R0Y,X-RAY DIFFRACTION,2022-02-02,2022-11-23,,,,,7R0Y,6.0,1.43,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli,Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,HNU,(2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide,CC(=O)NC(CCC(=O)N)C(=O)NCC=C,BRD4,227.26399999999995
353,7Z9H,X-RAY DIFFRACTION,2022-03-21,2022-11-23,,,,,7Z9H,8.0,1.34,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,IIV,(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide,CC(=O)NC(CC(=O)N)C(=O)NCC#CBr,BRD4,290.11699999999996
357,7Z9I,X-RAY DIFFRACTION,2022-03-21,2022-11-23,,,,,7Z9I,6.0,1.5,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,IJR,(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide,CC(C(=O)NCC#CBr)NC(=O)C,BRD4,247.09199999999998
360,7Z9J,X-RAY DIFFRACTION,2022-03-21,2022-11-23,,,,,7Z9J,9.0,1.9,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,IIY,(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide,CC(=O)NCC(=O)N=CC=C,BRD4,154.16899999999998
364,7Z9N,X-RAY DIFFRACTION,2022-03-21,2022-11-23,,,,,7Z9N,6.0,1.34,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,IJ3,(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide,CC(C)C(C(=O)NCCCBr)NC(=O)C,BRD4,279.17800000000005
369,7Z9O,X-RAY DIFFRACTION,2022-03-21,2022-11-23,,,,,7Z9O,8.0,1.47,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,IK3,(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide,CC(=O)NC(Cc1ccc(cc1)O)C(=O)NCC=C,BRD4,262.309
372,7Z9S,X-RAY DIFFRACTION,2022-03-21,2022-11-23,,,,,7Z9S,10.0,1.5,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,IJI,(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide,CC(=O)NC(CCCNC(=N)N)C(=O)N=CC=C,BRD4,253.306
377,6G0G,X-RAY DIFFRACTION,2018-03-18,2020-01-08,,,,,6G0G,4.0,1.478,experimental,10.26434/chemrxiv.11472618,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,SAS,2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3ccc(c(c3)C(=O)O)O,BRD4,398.40000000000015
378,3SVF,X-RAY DIFFRACTION,2011-07-12,2011-08-10,,,,,3SVF,1.0,1.975,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,WDR,"(4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one",Cc1c(c(on1)C)c2ccc3c(c2)C(N(C(=O)N3)C)OCCO,BRD4,317.3450000000001
379,3SVG,X-RAY DIFFRACTION,2011-07-12,2011-08-10,ODR,4800.0,IC50,nM,3SVG,4.0,1.68,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,ODR,"(1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol",CCOc1cc(cc(c1)C(C)O)c2c(noc2C)C,BRD4,261.32099999999997
381,4F3I,X-RAY DIFFRACTION,2012-05-09,2012-09-12,0S6,17.0,Ki,nM,4F3I,3.0,1.4,experimental,10.1074/jbc.M112.359505,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,0S6,"methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C,BRD4,414.9180000000002
394,4PCE,X-RAY DIFFRACTION,2014-04-15,2014-05-07,2N0,7000.0,IC50,nM,4PCE,2.0,1.293,experimental,10.1016/j.bmcl.2014.04.017,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2N0,"1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one",CCc1cc2c(n1Cc3ccccc3)CCCC2=O,BRD4,253.34499999999997
395,4PCI,X-RAY DIFFRACTION,2014-04-15,2014-05-14,2NJ,7500.0,IC50,nM,4PCI,2.0,1.25,experimental,10.1016/j.bmcl.2014.04.017,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2NJ,"(4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",CN1c2ccccc2NC(CC1=O)c3ccccc3,BRD4,252.31699999999998
398,5D24,X-RAY DIFFRACTION,2015-08-05,2016-01-20,,,,,5D24,5.0,1.65,experimental,10.1021/acs.jmedchem.5b01267,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,L26,4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide,CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C,BRD4,343.3830000000001
399,5D26,X-RAY DIFFRACTION,2015-08-05,2016-01-20,L28,810.0,Kd,nM,5D26,4.0,1.82,experimental,10.1021/acs.jmedchem.5b01267,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,L28,"N~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxamide",CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N,BRD4,422.5070000000003
403,5D3H,X-RAY DIFFRACTION,2015-08-06,2016-01-20,,,,,5D3H,1.0,1.7,experimental,10.1021/acs.jmedchem.5b01267,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,57G,N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide,CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)CO,BRD4,437.5180000000003
404,5D3J,X-RAY DIFFRACTION,2015-08-06,2016-01-20,,,,,5D3J,1.0,1.7,experimental,10.1021/acs.jmedchem.5b01267,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,L33,4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide,CCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C,BRD4,405.52000000000027
405,5D3L,X-RAY DIFFRACTION,2015-08-06,2016-01-20,57F,880.0,Kd,nM,5D3L,1.0,1.5,experimental,10.1021/acs.jmedchem.5b01267,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,57F,4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide,CCc1c(c([nH]c1C(=O)Nc2cc(c(cc2O)C)S(=O)(=O)N(CC)CC)C)C(=O)C,BRD4,435.5460000000003
406,5D3N,X-RAY DIFFRACTION,2015-08-06,2016-01-20,,,,,5D3N,1.0,2.15,experimental,10.1021/acs.jmedchem.5b01267,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,L40,4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide,CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C,BRD4,377.4660000000001
408,5D3P,X-RAY DIFFRACTION,2015-08-06,2016-01-20,,,,,5D3P,2.0,1.95,experimental,10.1021/acs.jmedchem.5b01267,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,57E,1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide,CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C,BRD4,387.4610000000001
409,5D3R,X-RAY DIFFRACTION,2015-08-06,2016-01-20,,,,,5D3R,1.0,2.2,experimental,10.1021/acs.jmedchem.5b01267,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,57C,4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide,CCCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N3CCCCCC3)C)C(=O)C,BRD4,445.58500000000043
410,5D3T,X-RAY DIFFRACTION,2015-08-06,2016-01-20,56Y,12000.0,Kd,nM,5D3T,3.0,1.93,experimental,10.1021/acs.jmedchem.5b01267,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,56Y,"4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide",CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C,BRD4,341.4110000000001
414,5E0R,X-RAY DIFFRACTION,2015-09-29,2016-10-12,,,,,5E0R,6.0,1.352,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5J5,2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid,c1cc(ccc1N=Nc2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O,BRD4,433.85100000000017
415,5FBX,X-RAY DIFFRACTION,2015-12-14,2015-12-30,5W4,14.0,IC50,nM,5FBX,1.0,1.85,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5W4,"(3~{S})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{H}-isoindol-1-one",Cc1c(c(on1)C)c2ccc3c(c2)C(N(C3=O)C)c4ccccc4,BRD4,318.376
416,5U28,X-RAY DIFFRACTION,2016-11-30,2017-02-08,82V,241.0,IC50,nM,5U28,3.0,1.798,experimental,10.1073/pnas.1613091114,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,82V,"3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one",c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2,BRD4,371.4140000000002
419,5U2C,X-RAY DIFFRACTION,2016-11-30,2017-02-08,82Y,235.0,IC50,nM,5U2C,2.0,3.3,experimental,10.1073/pnas.1613091114,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,82Y,"N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide",c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO,BRD4,372.4020000000001
420,5U2E,X-RAY DIFFRACTION,2016-11-30,2017-02-08,837,277.0,IC50,nM,5U2E,2.0,1.991,experimental,10.1073/pnas.1613091114,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,837,"ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate",CCOC(=O)c1ccc(cc1)c2csc3c2OC(=CC3=O)N4CCOCC4,BRD4,385.44100000000026
421,5U2F,X-RAY DIFFRACTION,2016-11-30,2017-02-08,82Y,193.0,IC50,nM,5U2F,2.0,2.525,experimental,10.1073/pnas.1613091114,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,82Y,"N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide",c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO,BRD4,372.4020000000001
422,5UVV,X-RAY DIFFRACTION,2017-02-20,2017-06-21,,,,,5UVV,2.0,1.99,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8NS,"7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one",CCS(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C,BRD4,397.5000000000002
423,5UVX,X-RAY DIFFRACTION,2017-02-20,2017-06-21,8NM,2.0,Ki,nM,5UVX,2.0,1.53,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8NM,"N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide",CN1C=C(c2cc[nH]c2C1=O)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C,BRD4,409.46700000000004
424,5UVY,X-RAY DIFFRACTION,2017-02-20,2017-06-14,8NJ,41.0,Ki,nM,5UVY,1.0,2.25,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8NJ,"6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one",CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4,BRD4,316.36
425,5UVZ,X-RAY DIFFRACTION,2017-02-20,2017-06-14,,,,,5UVZ,1.0,1.63,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8NP,3-methyl-5-(2-phenoxyphenyl)pyridin-2(1H)-one,CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3,BRD4,277.32300000000004
426,5W55,X-RAY DIFFRACTION,2017-06-14,2018-06-20,,,,,5W55,2.0,1.354,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,X30,"11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CCN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C,BRD4,584.7250000000001
428,5XHY,X-RAY DIFFRACTION,2017-04-25,2018-05-02,,,,,5XHY,1.0,1.976,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8FC,"~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide",Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)N(C(C(=O)N3C)(C)C)C4CC4,BRD4,399.51600000000025
429,5XI2,X-RAY DIFFRACTION,2017-04-25,2018-05-02,,,,,5XI2,1.0,1.909,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8F9,"(3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one",Cc1ccc(cc1)C(C)Nc2ccc3c(c2)N(C(C(=O)N3C)C)C4CC4,BRD4,349.4780000000002
430,5XI3,X-RAY DIFFRACTION,2017-04-25,2018-05-02,,,,,5XI3,1.0,1.674,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8F6,"(3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one",CC1C(=O)N(c2ccc(cc2N1C3CC3)NC(C)c4ccccc4)C,BRD4,335.451
431,5XI4,X-RAY DIFFRACTION,2017-04-25,2018-05-02,,,,,5XI4,1.0,1.486,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8F0,"(3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one",Cc1ccc(cc1)C(C)Nc2ccc3c(c2)N(C(C(=O)N3C)C)C4CC4,BRD4,349.4780000000002
432,5YOU,X-RAY DIFFRACTION,2017-10-31,2018-11-07,8XX,11.0,IC50,nM,5YOU,1.0,1.503,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8XX,"(3~{R})-4-cyclopropyl-~{N},1,3-trimethyl-~{N}-(4-methylphenyl)-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide",Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N(C(C(=O)N3C)C)C4CC4,BRD4,363.4610000000002
434,6DUV,X-RAY DIFFRACTION,2018-06-22,2019-06-26,,,,,6DUV,10.0,1.8,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,0S6,"methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C,BRD4,414.9180000000002
435,6FNX,X-RAY DIFFRACTION,2018-02-05,2018-06-20,DYZ,12589.0,IC50,nM,6FNX,5.0,1.19,experimental,10.1021/acs.jmedchem.8b00653,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,DYZ,"7-ethyl-3-(phenylmethyl)purine-2,6-dione",CCn1cnc2c1C(=O)NC(=O)N2Cc3ccccc3,BRD4,270.292
439,6FT4,X-RAY DIFFRACTION,2018-02-20,2018-04-18,E5W,234.0,IC50,nM,6FT4,1.0,1.34,experimental,10.1016/j.bmc.2018.05.003,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,E5W,"3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol",Cc1c(c(on1)C)c2cc(cc(c2)O)CN3CCC(CC3)(F)F,BRD4,322.355
442,6I7X,X-RAY DIFFRACTION,2018-11-19,2019-11-27,,,,,6I7X,4.0,1.2,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,H7B,"2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone",Cc1nnc2n1-c3ccc(cc3C(=NC2CC(=O)N4CCC(CC4)N(C)C)c5ccc(cc5)Cl)OC,BRD4,507.0380000000003
444,6I7Y,X-RAY DIFFRACTION,2018-11-19,2019-11-27,,,,,6I7Y,3.0,1,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,H7E,"[1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium",Cc1nnc2n1-c3ccc(cc3C(=NC2CC(=O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)c6ccc(cc6)Cl)OC,BRD4,613.1860000000003
445,6JI3,X-RAY DIFFRACTION,2019-02-20,2020-02-26,,,,,6JI3,1.0,2.2,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,BW6,"(3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one",CC1C(=O)N(c2ccc(cc2N1C3CC3)c4ccc[nH]4)C,BRD4,281.359
446,6JI4,X-RAY DIFFRACTION,2019-02-20,2020-02-26,,,,,6JI4,1.0,1.6,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,BOF,"(3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one",Cc1ccc(cc1)n2c(nnc2c3ccc4c(c3)N(C(C(=O)N4C)C)C5CC5)C,BRD4,387.4870000000002
447,6JI5,X-RAY DIFFRACTION,2019-02-20,2020-02-26,,,,,6JI5,1.0,2,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,BQ0,"(3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one",Cc1ccc(c(c1)C)n2c(nc(n2)C(=O)N3CCN(CC3)C)c4ccc5c(c4)N(C(C(=O)N5C)C)C6CCCC6,BRD4,541.7000000000002
448,6KED,X-RAY DIFFRACTION,2019-07-04,2020-07-08,,,,,6KED,1.0,2.548446881,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,D7R,"6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one",Cc1cc(n2c1C(=O)NN=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C,BRD4,446.4350000000002
449,6KEE,X-RAY DIFFRACTION,2019-07-04,2020-07-08,D7U,7.400000095,IC50,nM,6KEE,1.0,2.121546618,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,D7U,"6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one",Cc1cc(n2c1C(=O)NC=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C,BRD4,445.4470000000002
452,6KEF,X-RAY DIFFRACTION,2019-07-04,2020-07-08,D7X,42.90000153,IC50,nM,6KEF,1.0,2.444675449,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,D7X,"N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide",Cc1cc(n2c1C(=O)NC=C2)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C,BRD4,409.4670000000001
455,6KEG,X-RAY DIFFRACTION,2019-07-04,2020-07-08,,,,,6KEG,1.0,2.232,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,D89,"6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one",CCS(=O)(=O)Cc1cc(c(nc1)Oc2ccc(cc2F)F)c3cc(c4n3CC=NC4=O)C,BRD4,459.4740000000002
456,6LIH,X-RAY DIFFRACTION,2019-12-11,2020-12-16,,,,,6LIH,1.0,1.62030541,experimental,,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EDF,"(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one",CC1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4ccccc4)C,BRD4,387.4870000000001
457,6LIM,X-RAY DIFFRACTION,2019-12-12,2020-12-16,,,,,6LIM,1.0,1.759095021,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EE9,"(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one",CC1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C,BRD4,438.53500000000014
458,6RWJ,X-RAY DIFFRACTION,2019-06-05,2020-12-09,KLK,641.0,Kd,nM,6RWJ,1.0,1.4,experimental,10.1021/acs.jmedchem.0c00478,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,KLK,"~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide",Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O,BRD4,220.27199999999993
461,6S25,X-RAY DIFFRACTION,2019-06-20,2019-07-31,,,,,6S25,4.0,1.1,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,KSZ,"~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate",Cc1nnc2n1-c3ccc(cc3C(=NC2CC(=O)NCCCNC(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC,BRD4,553.0630000000003
462,6S4B,X-RAY DIFFRACTION,2019-06-27,2020-12-09,KUH,85.0,Kd,nM,6S4B,3.0,1.6,experimental,10.1021/acs.jmedchem.0c00478,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,KUH,"~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide",CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC,BRD4,447.55700000000036
467,6SA2,X-RAY DIFFRACTION,2019-07-16,2020-12-09,L25,80.0,Kd,nM,6SA2,3.0,1.5,experimental,10.1021/acs.jmedchem.0c00478,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,L25,"~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide",Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCOCC4)CCCCC2=O,BRD4,461.5400000000005
469,6SA3,X-RAY DIFFRACTION,2019-07-16,2020-12-09,L2N,300.0,Kd,nM,6SA3,1.0,1.8,experimental,10.1021/acs.jmedchem.0c00478,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,L2N,"~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide",Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCN(CC4)C)CCCCC2=O,BRD4,474.5830000000005
471,6SAH,X-RAY DIFFRACTION,2019-07-16,2020-12-09,L2W,50.0,Kd,nM,6SAH,1.0,1.5,experimental,10.1021/acs.jmedchem.0c00478,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,L2W,"~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide",Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2=O,BRD4,459.5680000000005
473,6SAJ,X-RAY DIFFRACTION,2019-07-16,2020-12-16,L2Z,150.0,Kd,nM,6SAJ,4.0,1.5,experimental,10.1021/acs.jmedchem.0c00478,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,L2Z,"~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide",Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O,BRD4,473.5510000000005
475,6SB8,X-RAY DIFFRACTION,2019-07-19,2020-12-09,L45,70.0,Kd,nM,6SB8,2.0,1.5,experimental,10.1021/acs.jmedchem.0c00478,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,L45,"~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide",CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O,BRD4,433.5300000000003
478,6UWU,X-RAY DIFFRACTION,2019-11-05,2020-04-15,QKP,84.0,IC50,nM,6UWU,6.0,2,experimental,10.1021/acs.jmedchem.0c00035,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QKP,"2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one",Cc1cc(cc(c1OCC(CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3,BRD4,482.5770000000003
487,7AJN,X-RAY DIFFRACTION,2020-09-29,2020-12-02,,,,,7AJN,2.0,1.48,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,RGW,"~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide",Cc1c(sc-2c1C(NC(c3n2c(nn3)C)CC(=O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C,BRD4,550.1720000000004
489,7AXR,X-RAY DIFFRACTION,2020-11-10,2021-10-06,S7T,11480.0,Kd,nM,7AXR,2.0,1.5,experimental,10.1021/acs.jmedchem.1c01119,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,S7T,4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide,CCc1c(c([nH]c1C(=O)Nc2cccc(c2)CCC(=O)NO)C)C(=O)C,BRD4,357.4100000000001
491,7B1T,X-RAY DIFFRACTION,2020-11-25,2022-06-08,,,,,7B1T,3.0,1.92,experimental,10.1016/j.ejmech.2023.115139,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,SOK,"3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one",Cc1c2c(c([nH]1)c3cc(ccc3Cl)N)CC=CCC2=O,BRD4,286.76200000000006
492,7C6P,X-RAY DIFFRACTION,2020-05-22,2021-05-12,,,,,7C6P,1.0,1.73,experimental,10.1080/14756366.2021.1906663,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,SQH,"2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one",c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O,BRD4,286.239
493,7FH2,X-RAY DIFFRACTION,2021-07-29,2022-08-03,,,,,7FH2,8.0,2.492,experimental,10.1016/j.bcp.2021.114819,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,4JI,"N-[2-[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxy-phenyl]ethyl]ethanamide",CC(=O)NCCc1cc(c(cc1C(=O)C=Cc2cc(ccc2OC)OC)OC)OC,BRD4,413.4700000000002
495,7JKX,X-RAY DIFFRACTION,2020-07-29,2021-06-23,,,,,7JKX,1.0,1.2,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,Y36,"N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide",CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC)C,BRD4,542.6650000000002
496,7USJ,X-RAY DIFFRACTION,2022-04-25,2023-01-18,82V,1547.0,IC50,nM,7USJ,2.0,2.08,experimental,10.1016/j.jconrel.2022.12.055,Escherichia phage EcSzw-2,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,82V,"3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one",c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2,BRD4,371.4140000000002
499,7X6T,X-RAY DIFFRACTION,2022-03-08,2023-03-22,,,,,7X6T,1.0,1.44,experimental,,Escherichia coli,Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,97F,"(2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide",Cc1nnc2n1nc(cc2NC(C)C(=O)N)c3ccccc3Oc4ccccc4,BRD4,388.4310000000001
500,8B96,X-RAY DIFFRACTION,2022-10-05,2024-04-03,,,,,8B96,4.0,1.338,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,Q2F,"~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide",CCn1cnc2c1C(=O)NC(=O)N2CC3CCC(CC3)CNS(=O)(=O)c4ccc(c(c4)F)OC5CCOCC5,BRD4,563.6520000000002
503,8B98,X-RAY DIFFRACTION,2022-10-05,2024-04-03,,,,,8B98,5.0,1.495,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,Q2F,"~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide",CCn1cnc2c1C(=O)NC(=O)N2CC3CCC(CC3)CNS(=O)(=O)c4ccc(c(c4)F)OC5CCOCC5,BRD4,563.6520000000002
510,7Z9U,X-RAY DIFFRACTION,2022-03-21,2022-11-23,,,,,7Z9U,10.0,1.76,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,ARG,ARGININE,C(CC(C(=O)O)N)CNC(=[NH2+])N,BRD4,175.212
514,7Z9U,X-RAY DIFFRACTION,2022-03-21,2022-11-23,,,,,7Z9U,10.0,1.76,experimental,10.1021/acs.jmedchem.2c01357,Escherichia coli BL21(DE3),Homo sapiens,"ATPase family AAA domain-containing protein 2, AAA nuclear coregulator cancer-associated protein, ANCCA",1.0,8WS,"(2S)-2,6-diacetamido-N-methyl-hexanamide",CC(=O)NCCCCC(C(=O)NC)NC(=O)C,BRD4,243.30700000000002
521,4NQM,X-RAY DIFFRACTION,2013-11-25,2013-12-18,Y1Z,158.0,IC50,nM,4NQM,2.0,1.58,experimental,,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,Y1Z,"2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide",Cc1nnc2n1nc(c3c2cccc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CCOCC6,BRD4,535.0290000000001
523,5D25,X-RAY DIFFRACTION,2015-08-05,2016-01-20,,,,,5D25,3.0,1.7,experimental,10.1021/acs.jmedchem.5b01267,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,56M,"4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide",CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c(c(c([nH]2)C)C(=O)C)C)O,BRD4,407.4920000000002
526,5D3S,X-RAY DIFFRACTION,2015-08-06,2016-01-20,,,,,5D3S,3.0,1.75,experimental,10.1021/acs.jmedchem.5b01267,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,579,4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide,CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C,BRD4,437.49300000000034
529,5N2M,X-RAY DIFFRACTION,2017-02-07,2018-02-28,,,,,5N2M,3.0,1.54,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8J2,"propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate",CC1CC(c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)OC(C)C,BRD4,423.51300000000015
533,5Y8Y,X-RAY DIFFRACTION,2017-08-21,2018-06-13,,,,,5Y8Y,6.0,1.87,experimental,10.1021/acs.jmedchem.8b00103,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8PX,"5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide",Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br,BRD4,427.27600000000007
534,6DJC,X-RAY DIFFRACTION,2018-05-25,2018-07-25,,,,,6DJC,9.0,1.46,experimental,10.1073/pnas.1720000115,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,CF6,"N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCCCCCCCCCNC(=O)CC4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C,BRD4,938.068
536,6DNE,X-RAY DIFFRACTION,2018-06-06,2018-07-18,,,,,6DNE,1.0,2.958,experimental,10.1073/pnas.1720000115,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,H1V,"N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCOCCOCCNC(=O)CC4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C,BRD4,913.958
537,6FO5,X-RAY DIFFRACTION,2018-02-06,2018-06-20,DZH,251.0,IC50,nM,6FO5,2.0,0.95,experimental,10.1021/acs.jmedchem.8b00653,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,DZH,"~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide",CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)CNS(=O)(=O)c4ccc5c(c4)CCCC(=O)N5,BRD4,522.5870000000003
543,7C2Z,X-RAY DIFFRACTION,2020-05-10,2021-05-12,,,,,7C2Z,2.0,1.3,experimental,10.1080/14756366.2021.1906663,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,SQH,"2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one",c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O,BRD4,286.239
546,7KHL,X-RAY DIFFRACTION,2020-10-21,2021-02-24,,,,,7KHL,2.0,1.286,experimental,10.1021/acs.jmedchem.0c01846,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,WEM,"methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate",CN1C=C2c3cc(c(cc3N(Cc4c2c([nH]c4)C1=O)c5c(cc(cn5)F)F)C(=O)OC)CS(=O)(=O)C,BRD4,514.5100000000002
547,7R5B,X-RAY DIFFRACTION,2022-02-10,2023-02-08,,,,,7R5B,4.0,1.77,experimental,10.1016/j.ejmech.2023.115139,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,I5K,"1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one",Cc1c2c(c([nH]1)c3cccc(c3)N)CCCCC2=O,BRD4,254.3329999999999
550,7R5B,X-RAY DIFFRACTION,2022-02-10,2023-02-08,,,,,7R5B,4.0,1.77,experimental,10.1016/j.ejmech.2023.115139,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,BRD4,282.3329999999999
553,8GPZ,X-RAY DIFFRACTION,2022-08-27,2023-01-18,,,,,8GPZ,4.0,1.528,experimental,10.1038/s41598-023-37527-w,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,KC3,"3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine",Cc1nnc2n1nc(cc2)N3CCC(CC3)C,BRD4,231.30299999999997
556,8GQ0,X-RAY DIFFRACTION,2022-08-27,2023-01-18,,,,,8GQ0,9.0,1.44,experimental,10.1038/s41598-023-37527-w,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,KCL,"~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine",Cc1nnc2n1nc(cc2)NCCc3c[nH]c4c3cccc4,BRD4,292.346
562,9F1K,X-RAY DIFFRACTION,2024-04-19,2024-09-11,,,,,9F1K,2.0,1.61,experimental,10.1021/acs.jmedchem.5c00395,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1H81,"2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]-N-(2-methoxyethyl)ethanamide",Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCN(CC4)CC(=O)NCCOC)CCc5ccc(cc5)OCCCN(C)C,BRD4,645.8490000000002
564,9F1L,X-RAY DIFFRACTION,2024-04-19,2024-09-11,,,,,9F1L,5.0,1.300006254,experimental,10.1021/acs.jmedchem.5c00395,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1H83,"N-[2-[2-[(3R)-2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethyl]-2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanamide",Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCN(CC4)CC(=O)NCCOc5cccc6c5C(=O)N(C6=O)C7CCC(=O)NC7=O)CCc8ccc(cc8)OCCCN(C)C,BRD4,888.0389999999998
572,4O75,X-RAY DIFFRACTION,2013-12-24,2014-03-05,,,,,4O75,3.0,1.55,experimental,10.1021/cb500072z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2RC,"[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate",CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C,BRD4,580.4660000000005
577,7USG,X-RAY DIFFRACTION,2022-04-25,2023-01-18,,,,,7USG,4.0,1.2,experimental,10.1016/j.jconrel.2022.12.055,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 2, O27.1.1, Really interesting new gene 3 protein",1.0,O6O,"(8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one",c1cc(c2c(c1)C(=O)C=C(O2)N3CCOCC3)c4ccc5c(c4)OCCO5,BRD4,365.3850000000001
580,7USH,X-RAY DIFFRACTION,2022-04-25,2023-01-18,,,,,7USH,6.0,1.27,experimental,10.1016/j.jconrel.2022.12.055,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 2, O27.1.1, Really interesting new gene 3 protein",1.0,82V,"3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one",c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2,BRD4,371.4140000000002
584,2YEL,X-RAY DIFFRACTION,2011-03-25,2011-06-15,WSH,52.5,Kd,nM,2YEL,2.0,1.65,experimental,10.1021/JM200108T,Escherichia coli,Homo sapiens,"HUMAN BRD4, PROTEIN HUNK1",1.0,WSH,"BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE",Cc1nnc2n1-c3ccccc3C(=NC2NC(=O)OCc4ccccc4)c5ccccc5,BRD4,423.4760000000001
591,3P5O,X-RAY DIFFRACTION,2010-10-09,2010-11-17,EAM,23.0,Ki,nM,3P5O,5.0,1.6,experimental,10.1038/nature09589,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EAM,"2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide",CCNC(=O)CC1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C,BRD4,423.9040000000001
636,3U5L,X-RAY DIFFRACTION,2011-10-11,2011-11-23,08K,640.0,Kd,nM,3U5L,2.0,1.39,experimental,10.1016/j.bmc.2011.10.080,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,08K,"8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine",Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl,BRD4,323.78700000000003
641,4J0S,X-RAY DIFFRACTION,2013-01-31,2013-02-13,1H3,390.0,Kd,nM,4J0S,5.0,1.84,experimental,10.1021/jm301588r,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1H3,"3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol",Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3ccccc3)O,BRD4,295.338
643,4LRG,X-RAY DIFFRACTION,2013-07-19,2013-08-07,1XB,140.0,IC50,nM,4LRG,1.0,2.21,experimental,10.1021/ml4001485,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1XB,"2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide",Cc1c(sc-2c1C(=NC(c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C,BRD4,399.9030000000001
646,4LYS,X-RAY DIFFRACTION,2013-07-31,2014-01-15,,,,,4LYS,3.0,1.83,experimental,10.1002/anie.201307652,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,2SJ,"N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide",CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)O)OC)OC)OC,BRD4,385.4160000000001
647,4LYW,X-RAY DIFFRACTION,2013-07-31,2014-01-15,,,,,4LYW,1.0,1.95,experimental,10.1002/anie.201307652,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,21Q,4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide,CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C,BRD4,421.5190000000003
648,4LZR,X-RAY DIFFRACTION,2013-08-01,2014-01-15,,,,,4LZR,1.0,1.85,experimental,10.1002/anie.201307652,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,LOC,"N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide",CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,BRD4,399.44300000000015
649,4LZS,X-RAY DIFFRACTION,2013-08-01,2014-01-15,L46,24000.0,Kd,nM,4LZS,1.0,2.2,experimental,10.1002/anie.201307652,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,L46,"4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide",CCc1c(c([nH]c1C(=O)NC)C)C(=O)C,BRD4,208.26099999999997
651,4QZS,X-RAY DIFFRACTION,2014-07-28,2014-10-29,,,,,4QZS,4.0,1.45,experimental,10.1021/cb5007344,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,JQ1,"(6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium",Cc1c(sc-2c1C(=NC(c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C,BRD4,458.00700000000023
655,4UIY,X-RAY DIFFRACTION,2015-04-03,2015-04-22,,,,,4UIY,4.0,1.3,experimental,10.1021/ACS.JMEDCHEM.5B00256,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, HUMAN BRD4",1.0,5V2,"N-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide",CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4cccc(c4)C(F)(F)F,BRD4,483.5370000000002
657,4UIZ,X-RAY DIFFRACTION,2015-04-03,2015-04-22,,,,,4UIZ,3.0,1.19,experimental,10.1021/ACS.JMEDCHEM.5B00256,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, HUMAN BRD4",1.0,N1D,"7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one",CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC,BRD4,491.59100000000024
658,4XY9,X-RAY DIFFRACTION,2015-02-02,2015-03-11,,,,,4XY9,2.0,1.83,experimental,10.1021/jm501893k,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1, BRD4",1.0,43U,6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine,COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br,BRD4,320.15
660,4XYA,X-RAY DIFFRACTION,2015-02-02,2015-03-11,,,,,4XYA,2.0,2.05,experimental,10.1021/jm501893k,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1, BRD4",1.0,43S,6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine,c1coc2c1cc(cc2c3c4c([nH]cn4)nc(n3)N)Br,BRD4,330.145
663,5A5S,X-RAY DIFFRACTION,2015-06-20,2015-07-22,,,,,5A5S,2.0,1.36,experimental,10.1021/ACS.JMEDCHEM.5B00772,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, HUMAN BRD4",1.0,NP8,"5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one",CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC,BRD4,365.4370000000001
667,5COI,X-RAY DIFFRACTION,2015-07-20,2016-01-13,,,,,5COI,1.0,1.62,experimental,10.1021/acs.jmedchem.5b01511,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,55K,"1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid",CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4(CCCC4)C(=O)O,BRD4,402.47200000000026
670,5CP5,X-RAY DIFFRACTION,2015-07-21,2016-01-13,,,,,5CP5,3.0,1.79,experimental,10.1021/acs.jmedchem.5b01511,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EB0,"1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide",CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)Nc4ccc(cc4)F,BRD4,370.40500000000003
672,5CPE,X-RAY DIFFRACTION,2015-07-21,2016-01-13,,,,,5CPE,3.0,1.62,experimental,10.1021/acs.jmedchem.5b01511,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EB2,"N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide",CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4,BRD4,372.49000000000024
673,5CQT,X-RAY DIFFRACTION,2015-07-22,2016-01-13,,,,,5CQT,1.0,1.6,experimental,10.1021/acs.jmedchem.5b01511,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EB3,"N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide",CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCC4,BRD4,358.4630000000002
674,5CTL,X-RAY DIFFRACTION,2015-07-24,2016-01-13,,,,,5CTL,1.0,2.51,experimental,10.1021/acs.jmedchem.5b01511,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EB9,"N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide",CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4,BRD4,352.4150000000001
675,5DLZ,X-RAY DIFFRACTION,2015-09-07,2016-06-01,,,,,5DLZ,1.0,1.7,experimental,10.1021/acschembio.6b00286,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5D1,"N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide",Cc1cccc(c1)CN2CCC(CC2)CNC(=O)CCCOC3=CC(=O)N(c4c3cccc4)C,BRD4,461.6060000000003
677,5EI4,X-RAY DIFFRACTION,2015-10-29,2016-01-20,,,,,5EI4,2.0,1.05,experimental,10.1021/acs.jmedchem.5b01708,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5NV,"8-[(3-azanyl-1~{H}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione",CCn1c(nc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl)CSc4[nH]nc(n4)N,BRD4,432.89700000000005
678,5F5Z,X-RAY DIFFRACTION,2015-12-04,2017-04-05,5VY,316.0,IC50,nM,5F5Z,3.0,1.76,experimental,10.1158/1535-7163.MCT-16-0568-T,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5VY,2-methyl-~{N}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide,Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C,BRD4,509.6800000000004
703,5F63,X-RAY DIFFRACTION,2015-12-04,2017-02-08,5W2,9.550000191,IC50,nM,5F63,3.0,1.45,experimental,10.1158/1535-7163.MCT-16-0568-T,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5W2,4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide,Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C,BRD4,604.1519999999999
709,5KJ0,X-RAY DIFFRACTION,2016-06-17,2017-08-09,6TB,100.0,IC50,nM,5KJ0,8.0,1.51,experimental,10.1002/cmdc.201600502,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,6TB,4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide,CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)N(C)c4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C,BRD4,535.6930000000003
714,5LJ2,X-RAY DIFFRACTION,2016-07-17,2016-08-31,,,,,5LJ2,4.0,1.19,experimental,10.1002/anie.201603928,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,6XW,"5-(5-aminopyridin-3-yl)-8-(((3R,4R)-3-((1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1H)-one",CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3OCC4CCS(=O)(=O)CC4)c5cc(cnc5)N,BRD4,512.6360000000003
715,5M39,X-RAY DIFFRACTION,2016-10-14,2017-09-27,7EA,24000.0,IC50,nM,5M39,2.0,1.38,experimental,10.1021/acs.jmedchem.7b00845,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7EA,"6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine",Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC,BRD4,270.29200000000003
716,5MLI,X-RAY DIFFRACTION,2016-12-06,2017-12-20,82I,125893.0,IC50,nM,5MLI,1.0,1.63,experimental,10.1021/acs.jmedchem.6b01566,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,82I,4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one,CNC1=C(C(=O)N(N=C1)C)Cl,BRD4,173.603
717,5OVB,X-RAY DIFFRACTION,2017-08-28,2018-10-10,,,,,5OVB,2.0,1.95,experimental,10.1021/acscentsci.7b00401,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,AY2,~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide,CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)C(=O)C,BRD4,429.47600000000017
718,5OWM,X-RAY DIFFRACTION,2017-09-01,2018-10-10,,,,,5OWM,1.0,1.5,experimental,10.1021/acscentsci.7b00401,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,B0N,[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol,Cn1c2cc(ccc2nn1)Cc3cccc(c3)CO,BRD4,253.30499999999998
719,5VOM,X-RAY DIFFRACTION,2017-05-03,2017-08-02,9GY,790.0,IC50,nM,5VOM,2.0,1.67,experimental,10.1021/acsmedchemlett.7b00191,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,9GY,"3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide",CC1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4,BRD4,417.46500000000015
722,5Y1Y,X-RAY DIFFRACTION,2017-07-21,2017-11-15,,,,,5Y1Y,1.0,1.912,experimental,10.1039/c7ob02369c,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,HNQ,5-nitroquinolin-8-ol,c1cc2c(ccc(c2nc1)O)[N+](=O)[O-],BRD4,190.158
723,5Z5T,X-RAY DIFFRACTION,2018-01-20,2019-01-23,,,,,5Z5T,1.0,1.991,experimental,10.1038/s41389-018-0093-z,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,96R,2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol,c1cc2c(cc(nc2c(c1)O)N)n3ccnc3,BRD4,226.239
724,5Z5U,X-RAY DIFFRACTION,2018-01-20,2019-01-23,,,,,5Z5U,1.0,1.631,experimental,10.1038/s41389-018-0093-z,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,96U,"2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol",c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N,BRD4,242.238
725,5Z5V,X-RAY DIFFRACTION,2018-01-20,2019-01-23,,,,,5Z5V,1.0,1.66,experimental,10.1038/s41389-018-0093-z,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,96X,N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide,CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3,BRD4,282.303
726,6AFR,X-RAY DIFFRACTION,2018-08-08,2018-12-12,9.00E+03,70.0,IC50,nM,6AFR,1.0,1.998,experimental,10.1016/j.ejmech.2018.11.018,Escherichia coli K-12,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,9.00E+03,5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol,c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F,BRD4,243.24099999999999
727,6CJ2,X-RAY DIFFRACTION,2018-02-26,2019-03-06,,,,,6CJ2,1.0,1.47,experimental,10.1021/acschembio.7b00638,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,X27,"2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C,BRD4,487.6080000000003
728,6CKR,X-RAY DIFFRACTION,2018-02-28,2018-05-02,,,,,6CKR,2.0,1.62,experimental,10.1016/j.bmcl.2018.04.016,Escherichia coli K-12,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,F5V,"N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide",Cn1cc(cn1)c2ccc3c(c2)C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C,BRD4,408.48300000000006
729,6CKS,X-RAY DIFFRACTION,2018-02-28,2018-05-02,,,,,6CKS,1.0,1.72,experimental,10.1016/j.bmcl.2018.04.016,Escherichia coli K-12,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,F5Y,4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one,CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC,BRD4,437.5210000000002
733,6FFD,X-RAY DIFFRACTION,2018-01-06,2019-01-30,,,,,6FFD,1.0,1.83,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,D7T,"1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone",Cc1cccc(c1)CN2CCN(c3c2cccc3)C(=O)C,BRD4,280.37100000000004
734,6HDQ,X-RAY DIFFRACTION,2018-08-18,2018-09-26,FZE,5012.0,IC50,nM,6HDQ,2.0,1.7,experimental,10.1021/acs.jmedchem.8b00862,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,FZE,"8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one",Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)NC4CC5CCC(C4CCC6CCC(CC6)(F)F)N5,BRD4,521.6560000000004
736,6JJ3,X-RAY DIFFRACTION,2019-02-25,2020-01-22,,,,,6JJ3,1.0,1.718,experimental,10.1021/acs.jmedchem.9b01010,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,BS6,"2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide",CN1CCN(CC1)c2cc3c4c(ccc(c4n2)NS(=O)(=O)c5ccccc5OC)N(C3=O)C,BRD4,467.5510000000002
737,6JJB,X-RAY DIFFRACTION,2019-02-25,2020-01-22,,,,,6JJB,1.0,1.508,experimental,10.1021/acs.jmedchem.9b01010,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,BT0,2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide,CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC,BRD4,368.4140000000001
738,6LG4,X-RAY DIFFRACTION,2019-12-04,2020-12-09,,,,,6LG4,1.0,1.85,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EC0,7-chloranyl-5-nitro-quinolin-8-ol,c1cc2c(cc(c(c2nc1)O)Cl)[N+](=O)[O-],BRD4,224.60299999999998
739,6LG5,X-RAY DIFFRACTION,2019-12-04,2020-12-09,,,,,6LG5,1.0,1.83,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EC3,1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one,c1cc2c(cc(c(c2nc1)O)CN3CCCC3=O)Cl,BRD4,276.72299999999996
740,6LG6,X-RAY DIFFRACTION,2019-12-04,2020-12-09,,,,,6LG6,1.0,1.98,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EC9,N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide,CC(=O)Nc1cc(c2cccc(c2n1)O)Nc3ccccn3,BRD4,294.314
741,6LG7,X-RAY DIFFRACTION,2019-12-04,2020-12-09,,,,,6LG7,1.0,1.83,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,ECF,2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol,c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N,BRD4,244.22899999999998
742,6LG8,X-RAY DIFFRACTION,2019-12-04,2020-12-09,,,,,6LG8,1.0,1.58,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,ECR,2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol,c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F,BRD4,244.22899999999998
743,6LG9,X-RAY DIFFRACTION,2019-12-04,2020-12-09,,,,,6LG9,1.0,1.81,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,ECU,2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol,c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br,BRD4,305.135
744,6PRT,X-RAY DIFFRACTION,2019-07-11,2019-11-27,,,,,6PRT,1.0,1.3,experimental,10.1016/j.bmc.2019.115157,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,OWA,methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate,CN1CC(CC1=O)CC(=O)OC,BRD4,171.196
745,6PS9,X-RAY DIFFRACTION,2019-07-12,2019-11-27,,,,,6PS9,1.0,1.21,experimental,10.1016/j.bmc.2019.115157,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,Y17,"5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one",CN1CC(CC1=O)CCn2c3ccccc3c4c2CCNC4=O,BRD4,311.38500000000005
746,6PSB,X-RAY DIFFRACTION,2019-07-12,2019-11-27,,,,,6PSB,1.0,1.59,experimental,10.1016/j.bmc.2019.115157,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,Y18,"5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one",CN1CC(CC1=O)Cn2c3ccccc3c4c2CCNC4=O,BRD4,297.358
747,6SWQ,X-RAY DIFFRACTION,2019-09-22,2020-04-01,LW5,63096.0,IC50,nM,6SWQ,4.0,1.601,experimental,10.1126/science.aaz8455,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,LW5,4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide,CC(c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O,BRD4,414.4770000000002
750,6UVM,X-RAY DIFFRACTION,2019-11-03,2020-01-01,,,,,6UVM,2.0,1.51,experimental,10.1021/acsmedchemlett.9b00414,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QJA,"1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one",CC(=O)N1CCC(SC=C1)c2cccs2,BRD4,239.36500000000004
753,6UWX,X-RAY DIFFRACTION,2019-11-05,2020-01-01,QKD,290000.0,Kd,nM,6UWX,2.0,1.307,experimental,10.1021/acsmedchemlett.9b00414,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QKD,"ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate",CCOC(=O)N1CCC(SCC1)c2cccs2,BRD4,271.407
754,6V0U,X-RAY DIFFRACTION,2019-11-19,2020-03-11,BMF,42.0,Kd,nM,6V0U,2.0,1.4,experimental,10.1021/acs.jmedchem.9b01980,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,BMF,Bromosporine,CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C,BRD4,404.4520000000001
759,6V1K,X-RAY DIFFRACTION,2019-11-20,2020-03-11,5SW,10000.0,Kd,nM,6V1K,6.0,1.75,experimental,10.1021/acs.jmedchem.9b01980,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5SW,"4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one",CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC,BRD4,353.42200000000014
762,6V1L,X-RAY DIFFRACTION,2019-11-20,2020-03-11,5U6,100000.0,IC50,nM,6V1L,1.0,2.1,experimental,10.1021/acs.jmedchem.9b01980,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5U6,"4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one",CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC,BRD4,353.42200000000014
765,6V1U,X-RAY DIFFRACTION,2019-11-21,2020-03-11,QMG,990.0,Kd,nM,6V1U,2.0,1.73,experimental,10.1021/acs.jmedchem.9b01980,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QMG,"3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide",Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4,BRD4,333.3910000000001
767,6VUB,X-RAY DIFFRACTION,2020-02-14,2020-02-26,,,,,6VUB,1.0,1.5,experimental,10.1016/j.ejmech.2020.112120,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,RLG,(4R)-1-methyl-4-phenylpyrrolidin-2-one,CN1CC(CC1=O)c2ccccc2,BRD4,175.23100000000002
768,6VUC,X-RAY DIFFRACTION,2020-02-14,2020-02-26,,,,,6VUC,1.0,1.55,experimental,10.1016/j.ejmech.2020.112120,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,RLS,(4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one,CN1CC(CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3,BRD4,322.43000000000023
769,6VUF,X-RAY DIFFRACTION,2020-02-15,2020-02-26,,,,,6VUF,2.0,1.59,experimental,10.1016/j.ejmech.2020.112120,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,RLV,4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide,CCCNS(=O)(=O)c1ccc(cc1)C2CC(=O)N(C2)C,BRD4,296.39200000000005
770,6VUJ,X-RAY DIFFRACTION,2020-02-15,2020-02-26,,,,,6VUJ,2.0,1.48,experimental,10.1016/j.ejmech.2020.112120,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,RLY,"N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide",CCN(CC)S(=O)(=O)c1ccc(c(c1)c2ccc(c(c2)OC)OC)C3CC(=O)N(C3)C,BRD4,446.5690000000003
772,6WVX,X-RAY DIFFRACTION,2020-05-07,2021-09-01,,,,,6WVX,2.0,1.55,experimental,10.1021/acschembio.1c00376,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,UDV,"6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine]",Cc1nnc2n1-c3ccc(cc3C(=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)C,BRD4,414.9000000000001
773,6X7B,X-RAY DIFFRACTION,2020-05-29,2020-08-05,,,,,6X7B,2.0,1.951,experimental,10.1038/s41598-020-68964-6,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,ZVP,"7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide",c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCNCC6,BRD4,504.5680000000003
774,6X7C,X-RAY DIFFRACTION,2020-05-29,2020-08-05,,,,,6X7C,1.0,2.7,experimental,10.1038/s41598-020-68964-6,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,KV9,"7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide",c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCOCC6,BRD4,505.55200000000036
775,6X7D,X-RAY DIFFRACTION,2020-05-29,2020-08-05,,,,,6X7D,2.0,2.5,experimental,10.1038/s41598-020-68964-6,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,UT4,"3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one",c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)OCCO2,BRD4,370.4300000000002
777,6YQZ,X-RAY DIFFRACTION,2020-04-18,2021-03-24,P8W,12589.0,IC50,nM,6YQZ,2.0,1.39,experimental,10.1021/acs.jmedchem.0c00075,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,P8W,"2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one",CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3,BRD4,305.38100000000003
778,6Z7G,X-RAY DIFFRACTION,2020-05-30,2020-07-29,,,,,6Z7G,1.0,1.59,experimental,10.1021/acs.jmedchem.0c00605,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QB5,N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide,CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3,BRD4,378.4320000000001
779,6Z7L,X-RAY DIFFRACTION,2020-05-31,2020-07-29,QAN,32.0,IC50,nM,6Z7L,1.0,1.624,experimental,10.1021/acs.jmedchem.0c00614,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QAN,"(3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide",CC1=Cc2c(cnc(c2NC1=O)NC3CCN(CC3C(=O)NC4CCCCC4)C)c5ccco5,BRD4,463.58200000000033
785,6Z7M,X-RAY DIFFRACTION,2020-05-31,2020-07-29,QAZ,50119.0,IC50,nM,6Z7M,1.0,1.26,experimental,10.1021/acs.jmedchem.0c00614,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QAZ,"(3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide",CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3C(=O)NC4CCCCC4,BRD4,383.4960000000002
787,6ZB3,X-RAY DIFFRACTION,2020-06-06,2020-08-05,QCZ,79.0,IC50,nM,6ZB3,4.0,1.419,experimental,10.1021/acs.jmedchem.0c00796,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QCZ,"~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide",CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3,BRD4,325.36800000000005
790,7A9U,X-RAY DIFFRACTION,2020-09-02,2020-10-21,,,,,7A9U,4.0,1.444,experimental,10.1002/anie.202008361,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,R5W,"3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide",Cc1nnc2n1cccc2NC(=O)CCC3(NN3)CCC#C,BRD4,298.3500000000001
792,7DHS,X-RAY DIFFRACTION,2020-11-17,2021-09-15,,,,,7DHS,2.0,1.76,experimental,10.1038/s41401-021-00614-7,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,H8C,"6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one",Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3C(C)c5ccccc5,BRD4,368.43600000000004
793,7EIL,X-RAY DIFFRACTION,2021-03-31,2022-04-06,,,,,7EIL,1.0,1.7,experimental,10.1016/j.ejmech.2021.113953,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,909,N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide,Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5ccc(cc5)NC(=O)C)C(=O)C,BRD4,470.5770000000003
794,7JKW,X-RAY DIFFRACTION,2020-07-29,2021-08-25,,,,,7JKW,1.0,1.2,experimental,10.1021/acs.jmedchem.0c00456,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,VCV,"N-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1H-indol-4-yl)ethanesulfonamide",CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CNC6)C,BRD4,583.7180000000001
795,7JKY,X-RAY DIFFRACTION,2020-07-29,2021-08-25,,,,,7JKY,2.0,1.16,experimental,10.1021/acs.jmedchem.0c00456,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YF6,"N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide",CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CCNCC6)C,BRD4,611.7719999999999
797,7MCE,X-RAY DIFFRACTION,2021-04-02,2021-09-29,,,,,7MCE,1.0,1.76,experimental,10.1016/j.bmcl.2021.128376,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YWY,"2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol",Cc1c(n(nn1)C)c2cc3c(cc2F)c4c(n3C(c5ccccc5)C6CCOCC6)cc(cn4)C(C)(C)O,BRD4,513.6170000000003
803,7MRA,X-RAY DIFFRACTION,2021-05-07,2022-08-03,ZMJ,82.0,Kd,nM,7MRA,2.0,1.16,experimental,10.1021/acs.jmedchem.2c00453,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,ZMJ,"N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide",CCS(=O)(=O)Nc1cccc(c1)C2=CN(C(=O)c3c2cccc3)C,BRD4,342.4200000000001
806,7MRB,X-RAY DIFFRACTION,2021-05-07,2022-08-03,N49,2.299999952,Kd,nM,7MRB,1.0,1.2,experimental,10.1021/acs.jmedchem.2c00453,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,N49,"N-[4-(4-chlorophenoxy)-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide",CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)Oc4ccc(cc4)Cl,BRD4,468.9620000000002
809,7O18,X-RAY DIFFRACTION,2021-03-28,2021-10-13,UYK,126.0,IC50,nM,7O18,3.0,1.7,experimental,10.1021/acs.jmedchem.1c00855,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,UYK,"(R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole",Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4C(C)COC)C5CCOCC5,BRD4,450.5390000000003
814,7OEO,X-RAY DIFFRACTION,2021-05-03,2021-07-21,,,,,7OEO,1.0,1.51,experimental,10.1021/acs.jmedchem.1c00412,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,V9Z,"N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide",Cc1cc(cc(c1OC)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC,BRD4,430.5480000000001
815,7P6V,X-RAY DIFFRACTION,2021-07-18,2021-10-06,,,,,7P6V,1.0,1.17,experimental,10.1002/chem.202102036,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5Z4,"ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate",CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5c(c(c(c(c5F)F)N=[N+]=N)F)F,BRD4,727.6960000000003
816,7P6W,X-RAY DIFFRACTION,2021-07-18,2021-10-06,,,,,7P6W,1.0,1.31,experimental,10.1002/chem.202102036,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5YY,"ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate",CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5ccc(cc5)N=[N+]=N,BRD4,655.7360000000002
817,7P6Y,X-RAY DIFFRACTION,2021-07-18,2021-10-06,,,,,7P6Y,2.0,1.881,experimental,10.1002/chem.202102036,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5Z1,"4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide",CC1=CC(=CN(C1=O)C)c2nc3ccc(cc3n2CC4CCOCC4)N(C)CCOCCOCCN(CC(=O)NCCOCCOCC#C)C(=O)c5ccc(cc5)C(=O)c6ccccc6,BRD4,889.0630000000002
818,7RMD,X-RAY DIFFRACTION,2021-07-27,2022-08-03,,,,,7RMD,2.0,1.18,experimental,10.1016/j.ejmech.2023.115246,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5Z0,"2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)Nc4nncs4)c5ccc(cc5)Cl)C,BRD4,484.01000000000016
820,7RN2,X-RAY DIFFRACTION,2021-07-28,2022-08-03,,,,,7RN2,2.0,1.05,experimental,10.1016/j.ejmech.2023.115246,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5ZQ,"2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCc4ccccn4)c5ccc(cc5)Cl)C,BRD4,491.02000000000015
823,8DYR,X-RAY DIFFRACTION,2022-08-04,2023-03-29,,,,,8DYR,2.0,1.47,experimental,10.1039/d2cc04813b,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,U59,"(4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one",CN1C=C(c2cc(ccc2C1=O)c3cn(nn3)CCF)c4cc(ccc4OCC5CC5)S(=O)(=O)C,BRD4,496.5640000000003
825,8.00E+17,X-RAY DIFFRACTION,2022-08-09,2023-03-29,,,,,8.00E+17,2.0,1.47,experimental,10.1039/d2cc04813b,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,U7R,"(4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one",CN1C=C(c2cc(ccc2C1=O)c3cn(nn3)CCF)c4cc(ccc4OC)S(=O)(=O)C,BRD4,456.4990000000002
827,8E3W,X-RAY DIFFRACTION,2022-08-17,2023-03-29,UHI,500.0,IC50,nM,8E3W,2.0,1.47,experimental,10.1039/d2cc04813b,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,UHI,(4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one,CN1C=C(c2ccccc2C1=O)c3cc(ccc3OCC4CC4)S(=O)(=O)C,BRD4,383.46900000000016
828,8K14,X-RAY DIFFRACTION,2023-07-10,2024-03-27,,,,,8K14,1.0,1.28,experimental,10.1016/j.ejmech.2023.115924,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,VFI,"4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole",Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4C(C)c5ccccc5)C,BRD4,412.4930000000001
829,8PXA,X-RAY DIFFRACTION,2023-07-22,2023-10-18,,,,,8PXA,1.0,1.3,experimental,10.1021/acs.jmedchem.3c00906,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,I0Z,"1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one",CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCCN(C4)C(=O)C5CCN(CC5)C(C)C,BRD4,489.66400000000044
831,8PXM,X-RAY DIFFRACTION,2023-07-23,2023-10-04,,,,,8PXM,2.0,2.378,experimental,10.1021/acsmedchemlett.3c00242,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,ZTY,"(1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one",CC1c2ccc(cc2C=CN(C1=O)C)OCCCCCOc3ccc4c(c3)C=CN(C(=O)C4C)C,BRD4,474.6010000000002
832,8WY3,X-RAY DIFFRACTION,2023-10-30,2024-01-24,,,,,8WY3,3.0,2.78,experimental,10.1021/acs.jmedchem.3c02104,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,XHE,"~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide",Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)C=C3NCC(=O)NC4CC4)C)C(C)(C)O)C)F,BRD4,493.5790000000003
833,8WY7,X-RAY DIFFRACTION,2023-10-30,2024-01-24,,,,,8WY7,3.0,2.83,experimental,10.1021/acs.jmedchem.3c02104,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,XHN,"2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide",Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)C=C3NCC(=O)NC4CCC(CC4)O)C)C(C)(C)O)C)F,BRD4,551.6590000000004
834,8YMF,X-RAY DIFFRACTION,2024-03-09,2025-03-12,,,,,8YMF,1.0,1.015,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1LZB,"7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[4,3-c]pyridin-4-one",CN1C=C(c2c(cn(n2)CC3CCN(CC3)S(=O)(=O)C)C1=O)c4ccccc4OCC5CC5,BRD4,470.5950000000003
835,8YMG,X-RAY DIFFRACTION,2024-03-09,2025-03-12,,,,,8YMG,1.0,1.007,experimental,10.1016/j.bmcl.2024.129848,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1LZC,"7-[4-chloro-1-(tetrahydropyran-4-ylmethyl)imidazol-2-yl]-5-methyl-2-{[(2R)-2-methyl-4-methylsulfonyl-piperazin-1-yl]methyl}furo[3,2-c]pyridin-4-one",CC1CN(CCN1Cc2cc3c(o2)C(=CN(C3=O)C)c4nc(cn4CC5CCOCC5)Cl)S(=O)(=O)C,BRD4,538.0700000000004
836,8YMH,X-RAY DIFFRACTION,2024-03-09,2025-03-12,,,,,8YMH,3.0,1.04,experimental,10.1016/j.bmcl.2024.129848,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1LZE,"5-methyl-2-{[(2R)-2-methyl-4-methylsulfonyl-piperazin-1-yl]methyl}-7-(1-methylpyrazol-3-yl)furo[3,2-c]pyridin-4-one",CC1CN(CCN1Cc2cc3c(o2)C(=CN(C3=O)C)c4ccn(n4)C)S(=O)(=O)C,BRD4,419.5070000000002
838,8YMI,X-RAY DIFFRACTION,2024-03-09,2025-03-12,,,,,8YMI,5.0,1.01,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1LZF,"2-{[(3S)-1-benzylpyrrolidin-3-yl]methyl}-5-methyl-7-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-one",Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)CC4CCN(C4)Cc5ccccc5)C,BRD4,402.5020000000002
841,6TQ1,X-RAY DIFFRACTION,2019-12-15,2020-01-15,,,,,6TQ1,9.0,1.9,experimental,10.1021/acs.jmedchem.9b01670,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 2, O27.1.1, Really interesting new gene 3 protein",1.0,NUH,5-(3-methoxyphenyl)-1-methyl-pyridin-2-one,CN1C=C(C=CC1=O)c2cccc(c2)OC,BRD4,215.25199999999998
843,7B9X,SOLUTION NMR,2020-12-14,2022-01-12,,,,,7B9X,1.0,,experimental,10.1021/acs.jmedchem.1c01703,Escherichia coli BL21(DE3),Homo sapiens,"Transcription intermediary factor 1-alpha, TIF1-alpha, E3 ubiquitin-protein ligase TRIM24, RING finger protein 82, RING-type E3 ubiquitin transferase TIF1-alpha, Tripartite motif-containing protein 24",1.0,T52,"N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide",CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCC[NH3+],BRD4,615.7289999999999
844,3MXF,X-RAY DIFFRACTION,2010-05-07,2010-10-06,,,,,3MXF,6.0,1.6,experimental,10.1038/nature09504,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,JQ1,"(6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium",Cc1c(sc-2c1C(=NC(c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C,BRD4,458.00700000000023
849,3U5J,X-RAY DIFFRACTION,2011-10-11,2011-11-23,08H,2460.0,Kd,nM,3U5J,5.0,1.6,experimental,10.1016/j.bmc.2011.10.080,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,08H,"8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl,BRD4,308.77199999999993
850,3U5K,X-RAY DIFFRACTION,2011-10-11,2011-11-23,,,,,3U5K,4.0,1.8,experimental,10.1016/j.bmc.2011.10.080,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,08J,"8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine",Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl,BRD4,325.774
856,4CFL,X-RAY DIFFRACTION,2013-11-18,2014-01-15,8DQ,9050.0,IC50,nM,4CFL,3.0,1.32,experimental,10.1021/CB400789E,Escherichia coli,Homo sapiens,"BRD4 PROTEIN, BROMODOMAIN CONTAINING PROTEIN 4",1.0,8DQ,8-phenyl-2-piperazin-1-yl-chromen-4-one,c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4,BRD4,306.365
899,4MR4,X-RAY DIFFRACTION,2013-09-17,2013-11-27,1K0,3850.0,IC50,nM,4MR4,4.0,1.66,experimental,10.1073/pnas.1310658110,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,1K0,"2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one",Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC,BRD4,370.40500000000014
938,4OGI,X-RAY DIFFRACTION,2014-01-16,2014-02-26,R78,73.0,IC50,nM,4OGI,4.0,1.73,experimental,10.1038/nchembio.1471,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, BRD4, Protein HUNK1",1.0,R78,"4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide",CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C,BRD4,521.6660000000003
960,4UIX,X-RAY DIFFRACTION,2015-04-03,2015-04-22,,,,,4UIX,8.0,1.58,experimental,10.1021/ACS.JMEDCHEM.5B00256,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, NHUMAN BRD4",1.0,TVU,"N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide",CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC,BRD4,476.5760000000003
961,4WIV,X-RAY DIFFRACTION,2014-09-26,2014-10-29,3P2,550.0,Kd,nM,4WIV,5.0,1.56,experimental,10.1021/jm501120z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,3P2,"N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine",Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C,BRD4,361.4490000000001
964,4X2I,X-RAY DIFFRACTION,2014-11-26,2015-11-11,,,,,4X2I,2.0,1.2,experimental,10.1021/ml500411h,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,3X0,"(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine",Cc1nnc2n1-c3ccccc3N(CC2C)c4ccc(cc4)Cl,BRD4,324.81500000000005
966,5ACY,X-RAY DIFFRACTION,2015-08-18,2015-10-07,9S3,398.0,IC50,nM,5ACY,5.0,2.01,experimental,10.1084/JEM.20151271,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, HUMAN BRD4",1.0,9S3,"1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone",CC1CC(c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5,BRD4,453.6300000000003
971,5CRM,X-RAY DIFFRACTION,2015-07-23,2016-01-13,,,,,5CRM,7.0,1.99,experimental,10.1021/acs.jmedchem.5b01511,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EB5,"N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide",CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC,BRD4,304.3710000000001
974,5CRZ,X-RAY DIFFRACTION,2015-07-23,2016-01-13,,,,,5CRZ,5.0,2.12,experimental,10.1021/acs.jmedchem.5b01511,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EB7,"2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide",CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F,BRD4,404.8500000000001
980,5CS8,X-RAY DIFFRACTION,2015-07-23,2016-01-13,,,,,5CS8,9.0,1.62,experimental,10.1021/acs.jmedchem.5b01511,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EB8,"methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate",CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4C(=O)OC,BRD4,410.4510000000002
982,5CY9,X-RAY DIFFRACTION,2015-07-30,2016-01-13,,,,,5CY9,5.0,1.55,experimental,10.1021/acs.jmedchem.5b01511,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,E0A,"N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide",CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC,BRD4,332.4250000000001
986,5D0C,X-RAY DIFFRACTION,2015-08-03,2016-01-13,,,,,5D0C,7.0,1.49,experimental,10.1021/acs.jmedchem.5b01511,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,E0B,"N-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide",CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4CCN(CC4)C(=O)C,BRD4,415.51500000000027
988,5DLX,X-RAY DIFFRACTION,2015-09-07,2016-06-01,,,,,5DLX,1.0,1.9,experimental,10.1021/acschembio.6b00286,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5D2,"N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide",Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl,BRD4,497.04700000000037
989,5DX4,X-RAY DIFFRACTION,2015-09-23,2016-01-13,,,,,5DX4,3.0,2.3,experimental,10.1021/acs.jmedchem.5b01511,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,E0C,"5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide",CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc(ccc4OC)Br,BRD4,461.33700000000016
997,5F61,X-RAY DIFFRACTION,2015-12-04,2017-02-08,5W0,14.0,IC50,nM,5F61,11.0,1.45,experimental,10.1158/1535-7163.MCT-16-0568-T,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5W0,~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide,Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C,BRD4,527.6700000000003
999,5F62,X-RAY DIFFRACTION,2015-12-04,2017-02-08,5W1,4.800000191,IC50,nM,5F62,7.0,1.35,experimental,10.1158/1535-7163.MCT-16-0568-T,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5W1,~{N}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide,Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)N4CCN(CC4)C,BRD4,562.1150000000001
1001,5KDH,X-RAY DIFFRACTION,2016-06-08,2017-08-02,6RX,1000.0,IC50,nM,5KDH,4.0,1.5,experimental,10.1021/acs.jmedchem.6b01336,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,6RX,"(5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione",CCN1C2=C(C(C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O,BRD4,339.35100000000006
1010,5MKZ,X-RAY DIFFRACTION,2016-12-05,2017-12-20,,,,,5MKZ,4.0,1.62,experimental,10.1021/acs.jmedchem.6b01566,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,RNK,4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one,Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl,BRD4,269.757
1012,5OWW,X-RAY DIFFRACTION,2017-09-04,2018-10-10,,,,,5OWW,4.0,1.5,experimental,10.1021/acscentsci.7b00401,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,B0Q,~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide,Cn1c2cc(ccc2nn1)NC(=O)c3nccn3Cc4ccccc4,BRD4,332.367
1013,5S9P,X-RAY DIFFRACTION,2021-04-01,2021-09-29,,,,,5S9P,6.0,2.1,experimental,10.1021/acs.jmedchem.1c00625,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YW4,"9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide",Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)Cc5ccccc5)C(C)(C)O)C(=O)N,BRD4,453.5420000000002
1015,5S9Q,X-RAY DIFFRACTION,2021-04-01,2021-09-29,,,,,5S9Q,8.0,1.85,experimental,10.1021/acs.jmedchem.1c00625,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YW7,"2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide",Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)C(c5ccccc5)C6CCOCC6)C(C)(C)O)C(=O)N,BRD4,537.6600000000002
1017,5S9R,X-RAY DIFFRACTION,2021-04-01,2021-09-29,,,,,5S9R,6.0,1.85,experimental,10.1021/acs.jmedchem.1c00625,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YWA,"2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol",Cc1c(n(nn1)C)c2cc3c(c4ccc(cc4n3C(c5ccccc5)C6CCOCC6)C(C)(C)O)nc2,BRD4,495.62700000000035
1020,5V67,X-RAY DIFFRACTION,2017-03-16,2018-03-28,IBI,120.0,IC50,nM,5V67,4.0,1.78,experimental,10.1021/acs.jmedchem.1c01096,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,IBI,"N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide",CCC1C(=O)N(c2cnc(nc2N1C(C)C)Nc3ccc(cc3OC)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)C,BRD4,618.827
1027,5VBO,X-RAY DIFFRACTION,2017-03-30,2018-04-04,,,,,5VBO,8.0,1.3,experimental,10.1021/acs.jmedchem.1c01096,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,4K4,"2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C,BRD4,570.6980000000001
1034,5Y8C,X-RAY DIFFRACTION,2017-08-21,2018-06-13,,,,,5Y8C,6.0,1.42,experimental,10.1021/acs.jmedchem.8b00103,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8P9,"5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide",Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Cl,BRD4,382.82500000000005
1038,5Y8W,X-RAY DIFFRACTION,2017-08-21,2018-06-13,,,,,5Y8W,9.0,1.76,experimental,10.1021/acs.jmedchem.8b00103,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8PU,"5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide",Cc1c2cc(c(cc2on1)O)NS(=O)(=O)c3cc(ccc3OC)Br,BRD4,413.2490000000001
1043,5Y8Z,X-RAY DIFFRACTION,2017-08-22,2018-06-13,,,,,5Y8Z,7.0,1.84,experimental,10.1021/acs.jmedchem.8b00103,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8Q3,"5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide",Cc1cc2c(cc1NS(=O)(=O)c3cc(ccc3OC)Br)c(no2)C,BRD4,411.2770000000001
1048,5Y93,X-RAY DIFFRACTION,2017-08-22,2018-06-13,,,,,5Y93,6.0,1.62,experimental,10.1021/acs.jmedchem.8b00103,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8Q9,"2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide",Cc1c2cc(c(cc2on1)OCC(=O)NCCN3CCOCC3)NS(=O)(=O)c4cc(ccc4OC)Br,BRD4,583.4610000000002
1052,5Y94,X-RAY DIFFRACTION,2017-08-22,2018-06-13,,,,,5Y94,5.0,2,experimental,10.1021/acs.jmedchem.8b00103,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8QC,"5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide",Cc1c2cc(c(cc2on1)NC)NS(=O)(=O)c3cc(ccc3OC)Br,BRD4,426.2920000000001
1056,5YQX,X-RAY DIFFRACTION,2017-11-08,2018-11-28,,,,,5YQX,3.0,1.82,experimental,10.1016/j.ejmech.2018.04.034,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,E0K,"(2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one",Cc1c(c(on1)C)c2ccc3c(c2)OC(C(=O)N3)CC4CC4,BRD4,298.3420000000001
1059,5Z1R,X-RAY DIFFRACTION,2017-12-28,2019-01-02,,,,,5Z1R,6.0,1.62,experimental,10.1021/acsmedchemlett.8b00003,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EFL,"5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide",CC1(C(=O)Nc2ccc(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)C,BRD4,441.3030000000001
1063,5Z1S,X-RAY DIFFRACTION,2017-12-28,2019-01-02,,,,,5Z1S,7.0,1.42,experimental,10.1021/acsmedchemlett.8b00003,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EFM,"5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide",CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)OC)C,BRD4,471.3290000000002
1067,5Z1T,X-RAY DIFFRACTION,2017-12-28,2019-01-02,,,,,5Z1T,7.0,1.42,experimental,10.1021/acsmedchemlett.8b00003,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EFN,"5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide",CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)O)C,BRD4,457.30200000000013
1071,6CD4,X-RAY DIFFRACTION,2018-02-08,2018-08-29,,,,,6CD4,4.0,1.23,experimental,10.1021/acschembio.7b00638,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EX1,"2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C,BRD4,598.752
1073,6CD5,X-RAY DIFFRACTION,2018-02-08,2019-01-16,,,,,6CD5,5.0,1.58,experimental,10.1021/acschembio.7b00638,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,R4L,"11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7,BRD4,624.7899999999998
1078,6CIS,X-RAY DIFFRACTION,2018-02-25,2018-08-29,,,,,6CIS,5.0,1.51,experimental,10.1021/acschembio.7b00638,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,X26,"11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CC(C)Oc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C,BRD4,652.8439999999998
1079,6CIY,X-RAY DIFFRACTION,2018-02-25,2018-08-29,,,,,6CIY,4.0,1.68,experimental,10.1021/acschembio.7b00638,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,F3J,"11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7,BRD4,610.7629999999999
1082,6CJ1,X-RAY DIFFRACTION,2018-02-25,2018-08-29,,,,,6CJ1,7.0,1.53,experimental,10.1021/acschembio.7b00638,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,F2S,"11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CCC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C,BRD4,612.7789999999999
1083,6CJ1,X-RAY DIFFRACTION,2018-02-25,2018-08-29,,,,,6CJ1,7.0,1.53,experimental,10.1021/acschembio.7b00638,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,FND,"11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CCC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C,BRD4,612.7789999999999
1086,6CZU,X-RAY DIFFRACTION,2018-04-09,2018-09-26,,,,,6CZU,9.0,1.47,experimental,10.1021/acs.jmedchem.8b00666,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,FP7,"5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one",Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)C(C)O,BRD4,324.38
1089,6MAU,X-RAY DIFFRACTION,2018-08-28,2019-04-03,JBS,14.0,IC50,nM,6MAU,2.0,2.11,experimental,10.1016/j.bmcl.2019.03.014,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,JBS,"1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol",Cc1c(c(on1)C)c2ccc3c(c2)c(nc(n3)c4cnn(c4)CC(C)(C)O)N5CCOCC5c6ccccc6,BRD4,524.6250000000003
1104,6P05,X-RAY DIFFRACTION,2019-05-16,2020-05-20,,,,,6P05,3.0,1.54,experimental,10.1021/acs.jmedchem.0c00456,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YF2,"N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide",CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)c5cn(c6c5C=CNC6=O)C,BRD4,552.6600000000002
1114,6TPX,X-RAY DIFFRACTION,2019-12-15,2020-01-15,NUW,251.0,IC50,nM,6TPX,4.0,1.48,experimental,10.1021/acs.jmedchem.9b01670,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,NUW,"2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide",Cc1cc(cc(c1O)C)c2nc3cc(ccc3n2CC4CCN(CC4)C(=O)C)C(=O)NC,BRD4,434.5400000000003
1117,6TPY,X-RAY DIFFRACTION,2019-12-15,2020-01-15,NUB,79.0,IC50,nM,6TPY,4.0,1.8,experimental,10.1021/acs.jmedchem.9b01670,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,NUB,"1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one",CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4,BRD4,337.4230000000002
1128,6WGX,X-RAY DIFFRACTION,2020-04-06,2020-10-07,U0D,150.0,IC50,nM,6WGX,7.0,1.53,experimental,10.1002/anie.202008625,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,U0D,"4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine",Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCN(CC4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C,BRD4,563.6720000000005
1136,7JKZ,X-RAY DIFFRACTION,2020-07-29,2021-08-25,,,,,7JKZ,3.0,2.49,experimental,10.1021/acs.jmedchem.0c00456,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YF6,"N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide",CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CCNCC6)C,BRD4,611.7719999999999
1139,7LA9,X-RAY DIFFRACTION,2021-01-06,2022-01-12,,,,,7LA9,27.0,2.2,experimental,10.1021/acs.jmedchem.2c00453,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,XR7,"N,N'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide)",CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)OCCOCCOCCOCCOc4ccc(cc4C5=CN(C(=O)c6c5cccc6)C)NS(=O)(=O)CC,BRD4,875.0350000000002
1144,7MCF,X-RAY DIFFRACTION,2021-04-02,2021-05-26,,,,,7MCF,2.0,2.19,experimental,10.1016/j.bmcl.2021.128108,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YX4,"2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol",Cc1c(n(nn1)C)c2cc3c(c4ccc(c(c4n3C(c5c(cccn5)F)C6CCOCC6)F)C(C)(C)O)nc2,BRD4,532.5950000000003
1153,7MLS,X-RAY DIFFRACTION,2021-04-28,2021-07-28,ZHM,3110.0,IC50,nM,7MLS,5.0,1.26,experimental,10.1021/acs.jmedchem.1c00933,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,ZHM,"2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine",Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc(ccc4Br)Br,BRD4,493.2030000000001
1166,7UZN,X-RAY DIFFRACTION,2022-05-09,2022-08-17,,,,,7UZN,4.0,1.685,experimental,10.1021/acsmedchemlett.2c00219,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,PQF,"2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol",Cc1c(n(nn1)C)c2cc3c(c4cc(c(cc4n3C(c5ccccc5)C6CCOCC6)C(C)(C)O)F)nc2,BRD4,513.6170000000003
1169,7WJS,X-RAY DIFFRACTION,2022-01-07,2022-08-10,,,,,7WJS,12.0,2.73,experimental,10.1021/acs.jmedchem.2c00100,Escherichia coli BL21,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,JFL,"2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one",Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5cnc([nH]5)C6CCC6)C)C(C)(C)O)C)F,BRD4,541.6230000000004
1171,7WKY,X-RAY DIFFRACTION,2022-01-12,2022-08-10,,,,,7WKY,9.0,2.83,experimental,10.1021/acs.jmedchem.2c00100,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,JFR,"2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one",Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5cnc([nH]5)C6CCCC6)C)C(C)(C)O)C)F,BRD4,555.6500000000004
1173,8PXN,X-RAY DIFFRACTION,2023-07-23,2023-11-08,,,,,8PXN,4.0,1.952,experimental,10.1021/acsmedchemlett.3c00242,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,ZTT,"(1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one",CC1c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c(c3)C=CN(C(=O)C4C)C,BRD4,432.52000000000015
1175,8WXY,X-RAY DIFFRACTION,2023-10-30,2024-01-24,,,,,8WXY,4.0,2.87,experimental,10.1021/acs.jmedchem.3c02104,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,XGN,"5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one",Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)C=C3NCC(=O)N4CCOCC4)C)C(C)(C)O)C)F,BRD4,523.6050000000005
1177,8YME,X-RAY DIFFRACTION,2024-03-09,2025-03-12,,,,,8YME,4.0,1.18,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1LZZ,"(4R,6S)-N-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide",Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)CC4CC(CCN(C4)C)C(=O)NC5CCCCC5)C,BRD4,479.6290000000004
1180,7USI,X-RAY DIFFRACTION,2022-04-25,2023-01-18,,,,,7USI,57.0,2.5,experimental,10.1016/j.jconrel.2022.12.055,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 2, O27.1.1, Really interesting new gene 3 protein",1.0,O6O,"(8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one",c1cc(c2c(c1)C(=O)C=C(O2)N3CCOCC3)c4ccc5c(c4)OCCO5,BRD4,365.3850000000001
1186,7USI,X-RAY DIFFRACTION,2022-04-25,2023-01-18,,,,,7USI,57.0,2.5,experimental,10.1016/j.jconrel.2022.12.055,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 2, O27.1.1, Really interesting new gene 3 protein",1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,BRD4,150.174
1187,8Z69,X-RAY DIFFRACTION,2024-04-18,2024-12-11,,,,,8Z69,28.0,1.77,experimental,10.1021/acs.jmedchem.4c02516,Escherichia coli,Homo sapiens,"BRD2_HUMAN, O27.1.1, Really interesting new gene 3 protein",1.0,A1L0Y,"7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one",Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5cnc([nH]5)c6ccccc6)C)C(C)(C)O)C)F,BRD4,563.6290000000004
1207,4UIT,X-RAY DIFFRACTION,2015-04-03,2015-04-22,,,,,4UIT,1.0,1.3,experimental,10.1021/ACS.JMEDCHEM.5B00256,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 9, RHABDOMYOSARCOMA ANTIGEN MU-RMS-40.8, PROTEIN HUNK1, HUMAN BRD4",1.0,N1D,"7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one",CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC,BRD4,491.59100000000024
1208,5O7I,X-RAY DIFFRACTION,2017-06-08,2018-06-20,9N8,3000.0,IC50,nM,5O7I,2.0,2.38,experimental,10.1016/j.ejmech.2019.05.057,Spodoptera frugiperda,Homo sapiens,"Mitogen-activated protein kinase 7, MAPK 7, Big MAP kinase 1, BMK-1, Extracellular signal-regulated kinase 5, ERK-5",1.0,9N8,4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide,c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F,BRD4,388.196
1210,9M3N,X-RAY DIFFRACTION,2025-03-03,2025-07-16,,,,,9M3N,1.0,2.08,experimental,10.1021/acs.jcim.5c00473,Homo sapiens,Homo sapiens,"E3 ubiquitin-protein ligase TRIM21, 52 kDa Ro protein, 52 kDa ribonucleoprotein autoantigen Ro/SS-A, RING finger protein 81, Ro(SS-A), Sjoegren syndrome type A antigen, SS-A, Tripartite motif-containing protein 21",1.0,A1EMT,1-ethyl-~{N}-methyl-5-phenyl-~{N}-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazole-4-carboxamide,CCn1c(c(cn1)C(=O)N(C)C2CC(C2)c3cccc(c3)C(F)(F)F)c4ccccc4,BRD4,427.47
1218,4A9L,X-RAY DIFFRACTION,2011-11-26,2012-01-11,P9L,30000.0,IC50,nM,4A9L,6.0,1.6,experimental,10.1021/JM201320W,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, HUMAN BRD4",1.0,P9L,"1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one",CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3,BRD4,325.39000000000016
1220,4BJX,X-RAY DIFFRACTION,2013-04-20,2013-10-02,73B,6.300000191,IC50,nM,4BJX,1.0,1.59,experimental,10.1371/JOURNAL.PONE.0072967,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, BRD4",1.0,73B,"4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid",CC1CC(c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl,BRD4,434.9230000000001
1229,4BW1,X-RAY DIFFRACTION,2013-06-29,2013-09-11,S5B,1258.930054,IC50,nM,4BW1,4.0,1.4,experimental,10.1002/CMDC.201300259,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, BRD4, PROTEIN HUNK1",1.0,S5B,"4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid",Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O,BRD4,415.49300000000017
1231,4BW2,X-RAY DIFFRACTION,2013-06-29,2013-09-11,,,,,4BW2,2.0,1.92,experimental,10.1002/CMDC.201300259,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, BRD4, PROTEIN HUNK1",1.0,UTH,"4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid",Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C,BRD4,416.4810000000001
1234,4BW3,X-RAY DIFFRACTION,2013-06-29,2013-09-11,,,,,4BW3,4.0,1.5,experimental,10.1002/CMDC.201300259,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, BRD4, PROTEIN HUNK1",1.0,9BM,"4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid",Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC,BRD4,446.50700000000023
1235,4BW4,X-RAY DIFFRACTION,2013-06-29,2013-09-11,,,,,4BW4,1.0,1.67,experimental,10.1002/CMDC.201300259,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, BRD4, PROTEIN HUNK1",1.0,9B6,"7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one",Cc1c(c(on1)C)c2cc3c(c4c(cn3)NC(=O)N4c5ccccc5OC(F)(F)F)nc2OC,BRD4,471.39500000000015
1237,4C67,X-RAY DIFFRACTION,2013-09-17,2013-10-02,,,,,4C67,3.0,1.55,experimental,10.1021/JM401088K,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, BRD4",1.0,L5S,"13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene",Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4,BRD4,280.356
1240,4CLB,X-RAY DIFFRACTION,2014-01-13,2014-12-24,83T,280.0,IC50,nM,4CLB,2.0,1.6,experimental,10.1039/C3MD00285C,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, BRD4",1.0,83T,"propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate",CC1CC(c2cc(ccc2N1C(=O)C)c3ccc(cc3)CNC)NC(=O)OC(C)C,BRD4,409.53000000000014
1244,4GPJ,X-RAY DIFFRACTION,2012-08-21,2012-10-17,0Q1,1259.0,IC50,nM,4GPJ,4.0,1.6,experimental,10.1039/C2MD20189E,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,0Q1,"(1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol",Cc1c(c(on1)C)c2ccc3c(c2)C(CC3)(c4ccccc4)O,BRD4,305.37699999999995
1246,4HBV,X-RAY DIFFRACTION,2012-09-28,2012-10-31,15E,23000.0,IC50,nM,4HBV,3.0,1.63,experimental,10.1021/jm3010515,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,15E,"6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one",CN1Cc2cc(ccc2NC1=O)Br,BRD4,241.08799999999997
1247,4HBX,X-RAY DIFFRACTION,2012-09-28,2012-10-31,14X,4800.0,IC50,nM,4HBX,1.0,1.62,experimental,10.1021/jm3010515,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,14X,"3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one",CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3,BRD4,295.3640000000001
1248,4HBY,X-RAY DIFFRACTION,2012-09-28,2012-10-31,13F,4400.0,IC50,nM,4HBY,2.0,1.59,experimental,10.1021/jm3010515,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,13F,"3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide",CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3,BRD4,317.37
1298,4NUD,X-RAY DIFFRACTION,2013-12-03,2014-04-02,NUD,4900.0,IC50,nM,4NUD,2.0,1.2,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,NUD,4-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide,Cc1cc(c(cc1O)N)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3,BRD4,383.4330000000001
1303,4NUE,X-RAY DIFFRACTION,2013-12-03,2014-04-02,NUE,440.0,Ki,nM,4NUE,2.0,1.3,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,NUE,"4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide",Cc1cc(c(c(c1O)C)N)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3,BRD4,397.4600000000001
1308,4QB3,X-RAY DIFFRACTION,2014-05-06,2015-04-22,30M,0.3000000119,Kd,nM,4QB3,2.0,0.94,experimental,10.1016/j.chembiol.2014.05.009,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,30M,"N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide",CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O,BRD4,299.374
1311,4WHW,X-RAY DIFFRACTION,2014-09-23,2015-10-28,3OT,350.0,IC50,nM,4WHW,2.0,1.345,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,3OT,"2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one",COC1=CC(=CC=CC1=O)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5,BRD4,469.5850000000004
1313,4Z1Q,X-RAY DIFFRACTION,2015-03-27,2015-04-08,558,26.0,IC50,nM,4Z1Q,2.0,1.399,experimental,10.1021/ml500411h,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,558,"5-[(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine",Cc1nnc2n1-c3ccc(cc3N(CC2C)c4ccc(cc4)Cl)c5ccc(nc5)N,BRD4,416.9160000000001
1316,4Z1S,X-RAY DIFFRACTION,2015-03-27,2015-04-08,,,,,4Z1S,2.0,1.06,experimental,10.1021/ml500411h,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,559,"5-[(4S)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine",Cc1nnc2n1-c3ccc(cc3N(CC2C)c4ccc(cc4)Cl)c5ccc(nc5)N,BRD4,416.9160000000001
1317,4Z93,X-RAY DIFFRACTION,2015-04-09,2015-07-01,,,,,4Z93,2.0,1.27,experimental,10.1021/acs.jmedchem.5b00613,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,4LD,"1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole",Cc1c(c(n[nH]1)C2CC2)c3c4c(ccn3)[nH]c5c4cc(c(c5)c6c(noc6C)C)OC,BRD4,413.4810000000003
1321,5EIS,X-RAY DIFFRACTION,2015-10-30,2016-01-20,5OU,1900.0,IC50,nM,5EIS,3.0,1.6,experimental,10.1021/acs.jmedchem.5b01708,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5OU,"3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione",CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl,BRD4,304.73699999999997
1326,5HLS,X-RAY DIFFRACTION,2016-01-15,2016-02-10,62G,39.0,IC50,nM,5HLS,1.0,2.182,experimental,10.1021/acs.jmedchem.5b01882,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,62G,CPI-0610,Cc1c-2c(on1)C(N=C(c3c2cccc3)c4ccc(cc4)Cl)CC(=O)N,BRD4,365.8200000000001
1328,5HM0,X-RAY DIFFRACTION,2016-01-15,2016-02-10,62V,440.0,IC50,nM,5HM0,1.0,1.395,experimental,10.1021/acs.jmedchem.5b01882,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,62V,"6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine",Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl,BRD4,308.76800000000003
1334,5LUU,X-RAY DIFFRACTION,2016-09-11,2016-10-12,77X,8630.0,Kd,nM,5LUU,3.0,1.61,experimental,10.1021/acsmedchemlett.6b00154,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,77X,"1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one",CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1,BRD4,255.32100000000003
1339,5M3A,X-RAY DIFFRACTION,2016-10-14,2017-09-27,7.00E+07,2000.0,IC50,nM,5M3A,3.0,1.65,experimental,10.1021/acs.jmedchem.7b00845,,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,7.00E+07,"3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine",Cc1nnc2n1nc(cc2)c3cnn(c3Oc4ccccc4)C,BRD4,306.32900000000006
1340,5ULA,X-RAY DIFFRACTION,2017-01-24,2017-03-22,5MJ,77.0,Ki,nM,5ULA,2.0,1.5,experimental,10.1073/pnas.1615601114,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5MJ,3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide,CC1=C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(cc3)OC,BRD4,370.83600000000007
1342,5UOO,X-RAY DIFFRACTION,2017-02-01,2017-05-17,8FV,28.0,IC50,nM,5UOO,1.0,1.69,experimental,10.1021/acs.jmedchem.7b00193,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8FV,"7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole",Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(nc(nc4[nH]3)C)c5ccnc6c5cccc6,BRD4,435.4870000000001
1349,5YOV,X-RAY DIFFRACTION,2017-10-31,2018-11-07,8XR,21.0,IC50,nM,5YOV,1.0,1.451,experimental,10.1016/j.ejmech.2018.02.070,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8XR,"(3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide",Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N(C(C(=O)N3C)C)C4CCCC4,BRD4,391.51500000000027
1350,6C7Q,X-RAY DIFFRACTION,2018-01-23,2018-08-01,EO1,0.6999999881,Ki,nM,6C7Q,1.0,1.51,experimental,10.1021/acs.jmedchem.8b00483,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EO1,"7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine",Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5c6ccccc6n(n5)C)C,BRD4,453.50600000000014
1352,6C7R,X-RAY DIFFRACTION,2018-01-23,2018-08-01,,,,,6C7R,1.0,1.5,experimental,10.1021/acs.jmedchem.8b00483,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,EO4,"N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine",Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5cc(nn5C)C6CC6)C,BRD4,443.5110000000002
1356,6DML,X-RAY DIFFRACTION,2018-06-05,2018-12-19,,,,,6DML,4.0,1.5,experimental,10.1021/acs.jmedchem.8b01292,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,9BM,"4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid",Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC,BRD4,446.50700000000023
1358,6HOV,X-RAY DIFFRACTION,2018-09-18,2019-10-09,,,,,6HOV,3.0,1.85,experimental,10.1111/febs.15111,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,FER,3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID,COc1cc(ccc1O)C=CC(=O)O,BRD4,194.18599999999998
1360,6IN1,X-RAY DIFFRACTION,2018-10-24,2019-10-30,,,,,6IN1,3.0,1.5,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,O4B,"1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE",C1COCCOCCOCCOCCOCCO1,BRD4,264.3179999999999
1361,6IN1,X-RAY DIFFRACTION,2018-10-24,2019-10-30,,,,,6IN1,3.0,1.5,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,LOC,"N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide",CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,BRD4,399.44300000000015
1362,6WW8,X-RAY DIFFRACTION,2020-05-08,2020-08-26,YR0,89.0,IC50,nM,6WW8,1.0,2.302,experimental,10.1038/s41421-020-0181-z,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YR0,"7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide",CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cc4)c5csc6c5OC(=CC6=O)N7CCOCC7,BRD4,584.7019999999999
1364,6XUZ,X-RAY DIFFRACTION,2020-01-21,2020-07-08,O1W,51.0,IC50,nM,6XUZ,1.0,1.07,experimental,10.1002/anie.202003732,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,O1W,"6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine",Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3C(C)COC)N5CCOCC5C,BRD4,479.5890000000004
1366,6XV7,X-RAY DIFFRACTION,2020-01-21,2020-07-08,,,,,6XV7,4.0,1.668,experimental,10.1002/anie.202003732,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,O2Q,"~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine",Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F,BRD4,289.289
1368,6XVC,X-RAY DIFFRACTION,2020-01-21,2020-07-08,,,,,6XVC,3.0,1.098,experimental,10.1002/anie.202003732,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,O32,"(4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one",Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)OC(C)C5CC(=O)NC5,BRD4,387.44300000000015
1369,7EIK,X-RAY DIFFRACTION,2021-03-31,2022-04-06,,,,,7EIK,1.0,1.7,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,J4R,1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone,Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5cnn(c5)C)C(=O)C,BRD4,417.5170000000002
1370,7K6G,X-RAY DIFFRACTION,2020-09-20,2021-09-29,VYJ,205.0,Kd,nM,7K6G,7.0,1.7,experimental,10.1021/acs.jmedchem.1c01096,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,VYJ,"11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C,BRD4,638.8169999999999
1373,7K6H,X-RAY DIFFRACTION,2020-09-20,2021-09-22,4WG,205.0,Kd,nM,7K6H,1.0,1.5,experimental,10.1021/acs.jmedchem.1c01096,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,4WG,"2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O,BRD4,474.5650000000003
1377,7KO0,X-RAY DIFFRACTION,2020-11-06,2021-10-20,,,,,7KO0,2.0,1.9,experimental,10.1021/acs.jmedchem.1c01096,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5W2,4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide,Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C,BRD4,604.1519999999999
1382,7LH8,X-RAY DIFFRACTION,2021-01-21,2022-07-06,,,,,7LH8,8.0,1.75,experimental,10.1002/cmdc.202100407,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,XZG,"(5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione",CCN1C2=C(C(C3=C(N2)CN(C3=O)CC4CCN(CC4)Cc5ccc(cc5)[N+](=O)[O-])c6ccc(cc6)C)C(=O)NC1=O,BRD4,570.6500000000003
1385,7M16,X-RAY DIFFRACTION,2021-03-12,2021-09-29,YNS,2100.0,Kd,nM,7M16,1.0,1.42,experimental,10.1021/acsmedchemlett.9b00227,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YNS,"4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide",Cc1cc(cc(c1)Nc2cccc(n2)c3c(nnn3C4CCN(CC4)C(=N)N)C)C,BRD4,404.5220000000003
1389,7UGF,X-RAY DIFFRACTION,2022-03-24,2023-04-12,,,,,7UGF,6.0,1.45,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,N6I,(3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one,Cc1cc(cc2c1nc([nH]2)C3=C(C=CNC3=O)NCC(c4cccc(c4)Cl)O)N5CCOCC5,BRD4,479.9680000000003
1390,7UTY,X-RAY DIFFRACTION,2022-04-28,2022-08-24,,,,,7UTY,3.0,1.55,experimental,10.1002/ardp.202200288,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,OFR,"prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate",CCN1C2=C(C(C(=C(N2)C)C(=O)OCC=C)c3ccc(cc3)C)C(=O)NC1=O,BRD4,381.4320000000001
1392,7W3D,X-RAY DIFFRACTION,2021-11-25,2022-09-07,,,,,7W3D,1.0,1.98,experimental,10.1016/j.bmc.2022.116967,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,89T,"N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine",CC(COC)Nc1ccc(c(n1)Nc2ccc3c(c2)[nH]nn3)NS(=O)(=O)N(C)C,BRD4,420.4990000000001
1393,8CKF,X-RAY DIFFRACTION,2023-02-15,2023-08-02,,,,,8CKF,2.0,1.88,experimental,10.1021/acschembio.3c00437,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,E5Q,"3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol",Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3cccnc3)O,BRD4,296.326
1394,8CKF,X-RAY DIFFRACTION,2023-02-15,2023-08-02,,,,,8CKF,2.0,1.88,experimental,10.1021/acschembio.3c00437,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,V0R,"3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol",Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3cccnc3)O,BRD4,296.326
1395,8FVK,X-RAY DIFFRACTION,2023-01-19,2024-02-07,JHL,360.0,Kd,nM,8FVK,6.0,1.53,experimental,10.1038/s41467-024-47102-0,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,JHL,"(6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one",Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5CCCC(=O)N5c6ccc(c(c6)F)F,BRD4,534.6070000000004
1397,8IBQ,X-RAY DIFFRACTION,2023-02-10,2023-10-04,,,,,8IBQ,1.0,1.45,experimental,10.1021/acs.jmedchem.3c00372,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,OWO,"7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine",Cc1c(c(n(n1)C)C)c2cccc(c2F)c3ccnc4c3[nH]cn4,BRD4,321.35900000000004
1398,8IDH,X-RAY DIFFRACTION,2023-02-13,2023-10-04,,,,,8IDH,1.0,1.57,experimental,10.1021/acs.jmedchem.3c00372,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,OWO,"7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine",Cc1c(c(n(n1)C)C)c2cccc(c2F)c3ccnc4c3[nH]cn4,BRD4,321.35900000000004
1399,8P9F,X-RAY DIFFRACTION,2023-06-06,2023-07-05,,,,,8P9F,6.0,1.3,experimental,10.1021/acschembio.3c00427,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,X9O,~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide,Cc1cc(c(cc1O)N)NNc2ccc(cc2)C(=O)Nc3ccccc3N,BRD4,363.4210000000001
1402,8P9G,X-RAY DIFFRACTION,2023-06-06,2023-07-05,,,,,8P9G,4.0,1.1,experimental,10.1021/acschembio.3c00427,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,X9K,~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide,Cc1cc(c2cc[nH]c2c1O)N=Nc3ccc(cc3)C(=O)Nc4ccccc4N,BRD4,385.42700000000013
1403,8P9H,X-RAY DIFFRACTION,2023-06-06,2023-07-05,,,,,8P9H,6.0,1.19,experimental,10.1021/acschembio.3c00427,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,X9C,"~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide",CN1C=C(c2cc[nH]c2C1=O)c3ccc4cc(ccc4n3)C(=O)Nc5ccccc5N,BRD4,409.4490000000001
1405,8P9I,X-RAY DIFFRACTION,2023-06-06,2023-07-05,,,,,8P9I,14.0,1.23,experimental,10.1021/acschembio.3c00427,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,X8T,"~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide",CN1C=C(c2cc[nH]c2C1=O)c3ccc(cc3)C(=O)Nc4ccccc4N,BRD4,358.40100000000007
1408,8P9J,X-RAY DIFFRACTION,2023-06-06,2023-07-05,,,,,8P9J,8.0,1.42,experimental,10.1021/acschembio.3c00427,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,X8O,"~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide",CN1C=C(c2cc[nH]c2C1=O)c3ccc(nc3)C(=O)Nc4ccccc4N,BRD4,359.38900000000007
1409,8P9K,X-RAY DIFFRACTION,2023-06-06,2023-07-05,,,,,8P9K,7.0,1.25,experimental,10.1021/acschembio.3c00427,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,X9U,"~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide",CN1C=C(c2cc[nH]c2C1=O)c3ccc(cc3)C(=O)Nc4cc(ccc4N)c5ccccc5,BRD4,434.49900000000014
1411,8P9L,X-RAY DIFFRACTION,2023-06-06,2023-07-05,,,,,8P9L,5.0,1.29,experimental,10.1021/acschembio.3c00427,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,XA3,"~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide",CN1C=C(c2cc[nH]c2C1=O)c3ccc(nc3)C(=O)Nc4cc(ccc4N)c5ccccc5,BRD4,435.48700000000014
1413,8QAL,X-RAY DIFFRACTION,2023-08-23,2024-09-11,,,,,8QAL,4.0,1.3,experimental,10.1002/pro.5191,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,GQX,"2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine",Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CCCC2=O,BRD4,289.36400000000003
1415,8QAN,X-RAY DIFFRACTION,2023-08-23,2024-09-11,,,,,8QAN,2.0,1.25,experimental,10.1002/pro.5191,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,GKI,"1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone",Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(C)C)C(=O)C,BRD4,360.52700000000016
1418,8QAP,X-RAY DIFFRACTION,2023-08-23,2024-09-11,,,,,8QAP,3.0,1.4,experimental,10.1002/pro.5191,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,Q9U,"2-[4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2~{H}-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine",Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CC(CC2=O)(C)C,BRD4,317.41800000000006
1420,8QAR,X-RAY DIFFRACTION,2023-08-23,2024-09-11,,,,,8QAR,3.0,1.5,experimental,10.1002/pro.5191,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,GI0,"3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one",Cc1c[nH]nc1CN2CCN(CC2)c3nc(cs3)c4c5c(c([nH]4)C)C(=O)CCC5,BRD4,410.54700000000025
1421,8V92,X-RAY DIFFRACTION,2023-12-07,2025-03-19,,,,,8V92,9.0,1.27,experimental,10.1016/j.ejmech.2025.117504,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1AAL,"(4bS)-1-ethyl-21-methyl-4b,11,12,22-tetrahydro-2H,10H,18H-dibenzo[13',14':6',7'][1,5,9]trioxacyclotetradecino[12',11':4,5]pyrido[2,3-d]pyrimidine-2,4,20(1H,3H)-trione",CCN1C2=C(C3c4ccccc4OCCCOc5ccccc5COC(=O)C3=C(N2)C)C(=O)NC1=O,BRD4,489.5280000000002
1423,8V9F,X-RAY DIFFRACTION,2023-12-08,2024-12-18,,,,,8V9F,2.0,1.22,experimental,10.1016/j.ejmech.2025.117504,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,YPB,"(4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione",CCN1C2=C(C3c4ccc(cc4OCCOc5ccccc5COC(=O)C3=C(N2)C)C)C(=O)NC1=O,BRD4,489.52800000000025
1425,8WIU,X-RAY DIFFRACTION,2023-09-25,2024-01-03,,,,,8WIU,1.0,1.4,experimental,10.1016/j.ejmech.2023.116080,Escherichia coli,Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,WPR,"7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine",Cc1c(c(n(n1)CC2CC2)C)c3cc(cnc3)c4ccnc5c4[nH]cn5,BRD4,344.422
1426,8WQO,X-RAY DIFFRACTION,2023-10-12,2024-07-24,,,,,8WQO,1.0,1.13,experimental,10.1021/acs.jmedchem.4c01933,Escherichia coli,Homo sapiens,"Isoform C of Bromodomain-containing protein 4, Protein HUNK1",1.0,X3L,"(3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one",Cc1c(c(n[nH]1)C)c2ccnc(n2)Nc3ccc4c(c3)N(C(C(=O)N4C)C)C(C)C,BRD4,405.5060000000002
1427,9FBY,X-RAY DIFFRACTION,2024-05-14,2024-06-26,,,,,9FBY,2.0,1.853,experimental,10.1021/acs.jmedchem.4c00959,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1IB5,"5-[4-chloranyl-1-(oxan-4-ylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one",CC1=CC(=CN(C1=O)C)c2nc(cn2CC3CCOCC3)Cl,BRD4,321.8080000000001
1429,9FWX,X-RAY DIFFRACTION,2024-07-01,2024-08-07,,,,,9FWX,1.0,1.25,experimental,10.1021/acs.jmedchem.4c01128,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1IGX,"3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine",Cc1nnc2n1nc(cc2)NCCc3ccccc3,BRD4,253.30900000000003
1430,9FXP,X-RAY DIFFRACTION,2024-07-02,2024-08-07,,,,,9FXP,1.0,1.88,experimental,10.1021/acs.jmedchem.4c01128,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,5WX,"4-methoxy-1,2-benzoxazol-3-amine",COc1cccc2c1c(no2)N,BRD4,164.16399999999996
1431,9HT0,X-RAY DIFFRACTION,2024-12-19,2025-08-13,,,,,9HT0,1.0,1.33,experimental,10.1038/s42004-025-01610-2,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1IXD,"~{N}-methyl-4-[5-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazol-1-yl]benzamide",CNC(=O)c1ccc(cc1)n2c(nc(n2)Cn3cccn3)C4=CN(C(=O)c5c4cccc5)C,BRD4,439.47900000000016
1432,9HT1,X-RAY DIFFRACTION,2024-12-19,2025-08-13,,,,,9HT1,2.0,1.94,experimental,10.1038/s42004-025-01610-2,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,BRD4,282.3329999999999
1433,9HT1,X-RAY DIFFRACTION,2024-12-19,2025-08-13,,,,,9HT1,2.0,1.94,experimental,10.1038/s42004-025-01610-2,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1IXE,"1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone",Cc1ccc(cc1)n2c(nnc2SCC(=O)N3CCOCCC34COC4)C,BRD4,388.49300000000034
1434,9HT2,X-RAY DIFFRACTION,2024-12-19,2025-08-13,,,,,9HT2,2.0,1.42,experimental,10.1038/s42004-025-01610-2,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1IXF,"methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate",Cc1nnc(s1)NC(=O)CNC2(CC(OC(C2)(C)C)(C)C)C(=O)OC,BRD4,370.47500000000014
1435,9HT2,X-RAY DIFFRACTION,2024-12-19,2025-08-13,,,,,9HT2,2.0,1.42,experimental,10.1038/s42004-025-01610-2,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,P4G,1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE,CCOCCOCCOCC,BRD4,162.22899999999998
1437,9IV5,X-RAY DIFFRACTION,2024-07-23,2025-10-01,,,,,9IV5,3.0,1.59,experimental,10.1021/acs.jmedchem.4c03069,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,A1D95,"7-[2-fluoranyl-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine",Cc1c(c(n(n1)C)C)c2cc(cc(c2F)c3ccnc4c3[nH]cn4)OCC5COC5,BRD4,407.44900000000024
1446,8G46,ELECTRON MICROSCOPY,2023-02-08,2023-03-08,,,,,8G46,2.0,2.2,experimental,10.1101/2023.02.14.528208,Trichoplusia ni,Homo sapiens,"DNA damage-binding protein 1, DDB p127 subunit, DNA damage-binding protein a, DDBa, Damage-specific DNA-binding protein 1, HBV X-associated protein 1, XAP-1, UV-damaged DNA-binding factor, UV-damaged DNA-binding protein 1, UV-DDB 1, XPE-binding factor, XPE-BF, Xeroderma pigmentosum group E-complementing protein, XPCe",1.0,YK3,"tert-butyl [(6S,10P)-4-{4-[(ethanesulfonyl)amino]phenyl}-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate",CCS(=O)(=O)Nc1ccc(cc1)C2=NC(c3nnc(n3-c4c2c(c(s4)C)C)C)CC(=O)OC(C)(C)C,BRD4,529.6880000000003
1450,8YHS,X-RAY DIFFRACTION,2024-02-28,2024-03-13,,,,,8YHS,2.0,1.5,experimental,,Escherichia coli,Homo sapiens,"Bromodomain testis-specific protein, Cancer/testis antigen 9, RING3-like protein",1.0,A1D6J,"2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one",CC1=CC(=NN(C1=O)C)c2nc3cnc(cc3n2C(C)c4ccccc4)C5CCOCC5,BRD4,429.5240000000003
1474,4.00E+96,X-RAY DIFFRACTION,2012-03-20,2012-04-18,0NS,220.0,IC50,nM,4.00E+96,4.0,1.92,experimental,10.1021/jm3010515,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,0NS,"2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide",CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC,BRD4,347.3960000000001
1483,4HBW,X-RAY DIFFRACTION,2012-09-28,2012-10-31,,,,,4HBW,3.0,1.69,experimental,10.1021/jm3010515,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,14Z,"N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide",CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C,BRD4,269.326
1495,5UVW,X-RAY DIFFRACTION,2017-02-20,2017-06-21,,,,,5UVW,5.0,2.14,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8NG,"N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide",CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F,BRD4,459.47400000000016
1497,5WA5,X-RAY DIFFRACTION,2017-06-24,2018-07-04,,,,,5WA5,3.0,1.172,experimental,10.1021/acschembio.7b00638,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,4K4,"2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one",CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C,BRD4,570.6980000000001
1499,6XV3,X-RAY DIFFRACTION,2020-01-21,2020-07-08,O2B,38.0,IC50,nM,6XV3,4.0,1.47,experimental,10.1002/anie.202003732,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,O2B,"3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine",Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3C(C)c5ccccc5)N6CCOCC6C,BRD4,511.63400000000036
1501,6ZCI,X-RAY DIFFRACTION,2020-06-11,2020-12-23,QFN,17.0,IC50,nM,6ZCI,1.0,1.976,experimental,10.1038/s41589-020-00716-z,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QFN,"(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one",Cc1c2c(n(n1)C3CC3)C(=O)N(C2c4ccc(cc4)Cl)C5=CN(C(=O)C(=C5)C)C,BRD4,408.8890000000002
1502,7WX2,X-RAY DIFFRACTION,2022-02-14,2022-06-08,7OW,19.0,Kd,nM,7WX2,1.0,1.24,experimental,10.1038/s41388-022-02327-5,Escherichia coli BL21(DE3),Homo sapiens,"CREB-binding protein, Histone lysine acetyltransferase CREBBP, Protein-lysine acetyltransferase CREBBP",1.0,7OW,"1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one",CC1=CC(=CN(C1=O)C)c2ccc3c(c2)n(c(n3)C4CCOCC4)CCOC(F)(F)F,BRD4,435.4460000000003
1504,8Q34,X-RAY DIFFRACTION,2023-08-03,2024-02-07,,,,,8Q34,8.0,1.48,experimental,10.1038/s42004-024-01252-w,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,IX4,"~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide",CC1(N=N1)CCC(=O)NCc2[nH]c3cccnc3n2,BRD4,258.285
1506,8X7G,X-RAY DIFFRACTION,2023-11-24,2025-03-26,,,,,8X7G,1.0,2.7,experimental,10.1038/s41594-025-01537-1,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",2.0,YAX,"2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[[2-[4-[2-(1~{H}-indol-2-ylmethylamino)ethanoylamino]cyclohexyl]-3~{H}-benzimidazol-5-yl]oxy]ethoxy]ethyl]ethanamide",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCOCCOc4ccc5c(c4)[nH]c(n5)C6CCC(CC6)NC(=O)CNCc7cc8ccccc8[nH]7)c9ccc(cc9)Cl)C,BRD4,887.5109999999999
1514,7RWP,X-RAY DIFFRACTION,2021-08-20,2022-08-24,7WZ,290.0,IC50,nM,7RWP,2.0,1.73,experimental,10.1021/acs.jmedchem.1c01294,Escherichia coli BL21(DE3),Homo sapiens,"Nucleosome-remodeling factor subunit BPTF, Bromodomain and PHD finger-containing transcription factor, Fetal Alz-50 clone 1 protein, Fetal Alzheimer antigen",1.0,7WZ,5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one,CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CN)Cl,BRD4,264.716
1518,5I1Q,X-RAY DIFFRACTION,2016-01-09,2016-06-08,67C,46.0,IC50,nM,5I1Q,1.0,1.5,experimental,10.1021/acs.jmedchem.6b00264,Escherichia coli BL21(DE3),Homo sapiens,"Transcription initiation factor TFIID subunit 1, Cell cycle gene 1 protein, TBP-associated factor 250 kDa, p250, Transcription initiation factor TFIID 250 kDa subunit, TAFII250",1.0,67C,"3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide",CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C,BRD4,335.4070000000001
1520,5I29,X-RAY DIFFRACTION,2016-02-08,2016-06-08,67B,3600.0,IC50,nM,5I29,2.0,1.21,experimental,10.1021/acs.jmedchem.6b00264,Escherichia coli BL21(DE3),Homo sapiens,"Transcription initiation factor TFIID subunit 1, Cell cycle gene 1 protein, TBP-associated factor 250 kDa, p250, Transcription initiation factor TFIID 250 kDa subunit, TAFII250",1.0,67B,"N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide",CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C,BRD4,295.34200000000004
1526,8X7H,X-RAY DIFFRACTION,2023-11-24,2025-03-26,,,,,8X7H,12.0,2.9,experimental,10.1038/s41594-025-01537-1,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",2.0,YBI,"~{N}-[4-[6-[3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoyl]piperazin-1-yl]propoxy]-1~{H}-benzimidazol-2-yl]cyclohexyl]-2-(1~{H}-indol-2-ylmethylamino)ethanamide",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)N4CCN(CC4)CCCOc5ccc6c(c5)[nH]c(n6)C7CCC(CC7)NC(=O)CNCc8cc9ccccc9[nH]8)c1ccc(cc1)Cl)C,BRD4,926.5919999999998
1537,6FFE,X-RAY DIFFRACTION,2018-01-07,2019-01-30,,,,,6FFE,5.0,1.76,experimental,10.1021/acs.jmedchem.7b01666,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 2, O27.1.1, Really interesting new gene 3 protein",1.0,D7Q,"2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid",CC(=O)N1c2ccccc2N(CC1C3CC3)Cc4ccccc4C(=O)O,BRD4,350.418
1538,7RWN,X-RAY DIFFRACTION,2021-08-20,2022-08-24,7WE,310.0,IC50,nM,7RWN,2.0,1.39,experimental,10.1021/acs.jmedchem.1c01294,Escherichia coli BL21(DE3),Homo sapiens,"Nucleosome-remodeling factor subunit BPTF, Bromodomain and PHD finger-containing transcription factor, Fetal Alz-50 clone 1 protein, Fetal Alzheimer antigen",1.0,7WE,4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one,CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CN(C)C)Cl,BRD4,292.77
1540,7RWO,X-RAY DIFFRACTION,2021-08-20,2022-08-24,7WN,370.0,IC50,nM,7RWO,3.0,1.58,experimental,10.1021/acs.jmedchem.1c01294,Escherichia coli BL21(DE3),Homo sapiens,"Nucleosome-remodeling factor subunit BPTF, Bromodomain and PHD finger-containing transcription factor, Fetal Alz-50 clone 1 protein, Fetal Alzheimer antigen",1.0,7WN,"4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one",CN1C(=O)C(=C(C=N1)Nc2ccc3c(c2)CNCC3)Cl,BRD4,290.754
1542,7RWQ,X-RAY DIFFRACTION,2021-08-20,2022-08-24,7XE,250.0,IC50,nM,7RWQ,2.0,1.9,experimental,10.1021/acs.jmedchem.1c01294,Escherichia coli BL21(DE3),Homo sapiens,"Nucleosome-remodeling factor subunit BPTF, Bromodomain and PHD finger-containing transcription factor, Fetal Alz-50 clone 1 protein, Fetal Alzheimer antigen",1.0,7XE,"4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one",CN1C(=O)C(=C(C=N1)Nc2ccc3c(c2)CCNC3)Cl,BRD4,290.754
1558,6TQ2,X-RAY DIFFRACTION,2019-12-15,2020-02-19,,,,,6TQ2,8.0,2.26,experimental,10.1021/acs.jmedchem.9b01670,Escherichia coli str. 'clone D i14,Homo sapiens,"Bromodomain-containing protein 2, O27.1.1, Really interesting new gene 3 protein",1.0,NUQ,5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one,CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F,BRD4,269.279
1564,8RQ9,X-RAY DIFFRACTION,2024-01-17,2024-09-25,,,,,8RQ9,4.0,2.91,experimental,10.1038/s41467-024-52871-9,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",2.0,A1H2F,"(3~{S})-3-[7-[1-[7-[4-[6-(4-chlorophenyl)-1-methyl-spiro[[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4,1'-cyclopropane]-8-yl]pyrazol-1-yl]heptyl]piperidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]piperidine-2,6-dione",Cc1nnc2n1-c3ccc(cc3C(=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)CCCCCCCN7CCC(CC7)c8cccc9c8CN(C9=O)C1CCC(=O)NC1=O,BRD4,824.4299999999997
1568,4KV4,X-RAY DIFFRACTION,2013-05-22,2013-06-26,,,,,4KV4,1.0,2,experimental,10.1038/onc.2013.179,,Homo sapiens,Rel Peptide,2.0,DTT,"2,3-DIHYDROXY-1,4-DITHIOBUTANE",C(C(C(CS)O)O)S,BRD4,154.25599999999997
1581,2YEM,X-RAY DIFFRACTION,2011-03-25,2011-06-15,WSH,19.0,Kd,nM,2YEM,2.0,2.3,experimental,10.1021/JM200108T,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1",1.0,WSH,"BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE",Cc1nnc2n1-c3ccccc3C(=NC2NC(=O)OCc4ccccc4)c5ccccc5,BRD4,423.4760000000001
1588,4C66,X-RAY DIFFRACTION,2013-09-17,2013-10-02,,,,,4C66,1.0,1.87,experimental,10.1021/JM401088K,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, BRD4",1.0,H4C,"4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium",CCc1cc2c(s1)-[n+]3c([nH]nc3CN=C2c4ccccc4Cl)C,BRD4,343.863
1589,4ZC9,X-RAY DIFFRACTION,2015-04-15,2015-11-18,,,,,4ZC9,1.0,0.99,experimental,10.1126/science.aab1433,Escherichia coli BL21(DE3),Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,4MW,"2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O)c7ccc(cc7)Cl)C,BRD4,785.2830000000001
1591,4ZW1,X-RAY DIFFRACTION,2015-05-19,2016-06-22,,,,,4ZW1,3.0,1.75,experimental,,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,4V1,"2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one",Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2,BRD4,341.4360000000001
1592,5CFW,X-RAY DIFFRACTION,2015-07-08,2016-04-20,53W,2400.0,IC50,nM,5CFW,1.0,1.15,experimental,10.1016/j.chembiol.2015.10.013,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,53W,"5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole",Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC,BRD4,460.5780000000004
1596,5UEO,X-RAY DIFFRACTION,2017-01-03,2017-06-14,,,,,5UEO,2.0,1.85,experimental,,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,87G,"N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide",CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F,BRD4,459.47400000000016
1597,5UEP,X-RAY DIFFRACTION,2017-01-03,2017-06-14,,,,,5UEP,1.0,1.77,experimental,,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,88P,"ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate",CCOC(=O)c1c2c(c([nH]1)C)C(=O)CCC2,BRD4,221.25599999999994
1598,5UEQ,X-RAY DIFFRACTION,2017-01-03,2017-06-14,,,,,5UEQ,1.0,1.7,experimental,,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,87M,"N-[3-(7-methyl-1-oxo-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide",CCS(=O)(=O)Nc1ccc(c(c1)c2c3c(c([nH]2)C)C(=O)NN=C3)Oc4ccccc4,BRD4,424.48200000000014
1599,5UER,X-RAY DIFFRACTION,2017-01-03,2017-06-14,,,,,5UER,1.0,1.87,experimental,,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,87P,"N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide",Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O,BRD4,410.49500000000023
1600,5UES,X-RAY DIFFRACTION,2017-01-03,2017-06-28,,,,,5UES,1.0,1.62,experimental,,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,87S,5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide,Cc1c(cc([nH]1)c2ccccc2Oc3ccc(cc3)Cl)C(=O)N,BRD4,326.7830000000001
1601,5UET,X-RAY DIFFRACTION,2017-01-03,2017-06-14,,,,,5UET,1.0,2.29,experimental,,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,87V,2-methyl-5-phenyl-1H-pyrrole-3-carboxamide,Cc1c(cc([nH]1)c2ccccc2)C(=O)N,BRD4,200.24099999999999
1602,5UEU,X-RAY DIFFRACTION,2017-01-03,2017-05-10,,,,,5UEU,2.0,2.26,experimental,10.1021/acs.jmedchem.7b00017,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,0S6,"methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C,BRD4,414.9180000000002
1603,5UEV,X-RAY DIFFRACTION,2017-01-03,2017-06-14,,,,,5UEV,1.0,1.94,experimental,,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,88Y,1-[5-(2-aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one,Cc1c(cc([nH]1)c2ccccc2N)C(=O)C,BRD4,214.26799999999997
1604,5UEX,X-RAY DIFFRACTION,2017-01-03,2017-05-10,,,,,5UEX,1.0,2.29,experimental,10.1021/acs.jmedchem.7b00017,Escherichia coli-Pichia pastoris shuttle vector pPpARG4,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,89D,"17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one",CCS(Nc1ccc2c(c1)C3=CN(C(=O)C=C3OCCCCc4cc(cc(c4O2)F)F)C)(O)O,BRD4,492.5440000000003
1605,5UEY,X-RAY DIFFRACTION,2017-01-03,2017-05-10,,,,,5UEY,1.0,2.41,experimental,10.1021/acs.jmedchem.7b00017,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,88M,"5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one",CCOC1=CC(=O)N(C=C1c2cc(ccc2Oc3ccc(cc3F)F)NS(CC)(O)O)C,BRD4,466.5060000000001
1606,5UEZ,X-RAY DIFFRACTION,2017-01-03,2017-05-10,,,,,5UEZ,1.0,1.51,experimental,10.1021/acs.jmedchem.7b00017,Escherichia coli-Pichia pastoris shuttle vector pPpARG4,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,89G,5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one,CN1C(=O)C=C(C(=N1)c2ccccc2Oc3ccccc3)OC,BRD4,308.33700000000005
1607,5UF0,X-RAY DIFFRACTION,2017-01-03,2017-06-28,,,,,5UF0,1.0,1.35,experimental,10.1021/acs.jmedchem.7b00017,Escherichia coli-Pichia pastoris shuttle vector pPpARG4,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,89J,2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one,CNC1=CC(=O)N(N=C1c2ccccc2)C,BRD4,215.25600000000003
1608,5UVS,X-RAY DIFFRACTION,2017-02-20,2017-06-21,8O1,1.100000024,Ki,nM,5UVS,1.0,2.15,experimental,,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8O1,"4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one",CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)NCC4CC4,BRD4,385.48900000000015
1609,5UVT,X-RAY DIFFRACTION,2017-02-20,2017-06-21,,,,,5UVT,1.0,1.67,experimental,,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8NV,"7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one",CC(C)S(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C,BRD4,411.52700000000027
1610,5UVU,X-RAY DIFFRACTION,2017-02-20,2017-06-21,,,,,5UVU,1.0,1.66,experimental,,Enterobacteria phage L1,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8O4,"7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one",CN1C=C2c3cc(ccc3N(Cc4c2c([nH]c4)C1=O)CC5CC5)CS(=O)(=O)C,BRD4,397.5000000000002
1611,6DMJ,X-RAY DIFFRACTION,2018-06-05,2018-12-19,53W,2400.0,IC50,nM,6DMJ,1.0,1.15,experimental,10.1021/acs.jmedchem.8b01292,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,53W,"5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole",Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC,BRD4,460.5780000000004
1614,7Q3F,X-RAY DIFFRACTION,2021-10-27,2022-04-20,8M6,1300.0,IC50,nM,7Q3F,1.0,1.21,experimental,10.1021/acs.jmedchem.1c02168,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,8M6,"2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide",Cc1c(cccn1)NC(=O)CSC2=Nc3c(c4c(s3)CN(CC4)C(=O)C)C(=O)N2Cc5ccco5,BRD4,509.61300000000034
1640,4UYD,X-RAY DIFFRACTION,2014-08-30,2014-09-17,V1T,79433.0,IC50,nM,4UYD,3.0,1.37,experimental,10.1021/ML5002932,Escherichia coli,Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1",1.0,V1T,"1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide",CN1c2ccc(cc2N(C1=O)C)C(=O)N,BRD4,205.21699999999996
1641,5AD2,X-RAY DIFFRACTION,2015-08-19,2016-09-28,ETU,25.0,IC50,nM,5AD2,1.0,2.01,experimental,10.1038/NCHEMBIO.2210,Escherichia coli BL21(DE3),Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, BRD4",1.0,ETU,"(3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone",CC1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)Cl)C,BRD4,484.0040000000003
1647,5AD3,X-RAY DIFFRACTION,2015-08-19,2016-09-28,,,,,5AD3,1.0,1.49,experimental,10.1038/NCHEMBIO.2210,Escherichia coli BL21(DE3),Homo sapiens,"BROMODOMAIN-CONTAINING PROTEIN 4, PROTEIN HUNK1, BRD4",1.0,K6K,"3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine",CN(CCOc1ccc(cc1)C2CCN(CC2)c3ccc4nnc(n4n3)OC)c5ccc6nnc(n6n5)OC,BRD4,530.5930000000001
1648,6VIW,X-RAY DIFFRACTION,2020-01-14,2020-05-06,QYV,20.39999962,Ki,nM,6VIW,3.0,2.429,experimental,10.1021/acs.jmedchem.0c00628,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QYV,"4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide",CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C,BRD4,501.5110000000002
1650,6VIX,X-RAY DIFFRACTION,2020-01-14,2020-05-06,QYV,15.5,Ki,nM,6VIX,4.0,2.116,experimental,10.1021/acs.jmedchem.0c00628,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QYV,"4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide",CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C,BRD4,501.5110000000002
1652,6VIZ,X-RAY DIFFRACTION,2020-01-14,2020-05-06,,,,,6VIZ,3.0,2.391,experimental,10.1021/acs.jmedchem.0c00628,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",1.0,QYY,"4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide",CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C,BRD4,507.6120000000003
1653,9C5V,ELECTRON MICROSCOPY,2024-06-06,2025-10-01,,,,,9C5V,1.0,3.36,experimental,10.1016/j.str.2025.09.006,Spodoptera frugiperda,Homo sapiens,"DET1- and DDB1-associated protein 1, Placenta cross-immune reaction antigen 1, PCIA-1",4.0,A1AUO,"N-({4-[(4-{[1'-(chloroacetyl)-3'-oxo-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoxalin]-6'-yl]oxy}piperidin-1-yl)methyl]phenyl}methyl)-2-[(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide",Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)CN5CCC(CC5)Oc6ccc7c(c6)NC(=O)C8(N7C(=O)CCl)CCCC8)c9ccc(cc9)Cl)C,BRD4,879.9149999999997
1685,8EWV,X-RAY DIFFRACTION,2022-10-24,2023-10-04,,,,,8EWV,6.0,3.4,experimental,10.1038/s41589-023-01458-4,Escherichia coli,Homo sapiens,"Bromodomain-containing protein 4, Protein HUNK1",4.0,X5K,"N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide",Cc1c(c(n(n1)C)C)CN(C)c2nc(nc(n2)N(C)CCC(=O)NC3CC3)N4CCC(CC4)CCC(=O)NC(C(=O)N5CC(CC5C(=O)NCc6ccc(cc6)c7c(ncs7)C)O)C(C)(C)C,BRD4,940.2330000000001
1716,1S8O,X-RAY DIFFRACTION,2004-02-03,2004-04-27,,,,,1S8O,1.0,2.6,experimental,10.1021/bi036189j,Spodoptera frugiperda,Homo sapiens,"epoxide hydrolase 2, cytoplasmic, HsEH",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,sEH,282.3329999999999
1719,1VJ5,X-RAY DIFFRACTION,2004-02-03,2004-04-27,,,,,1VJ5,4.0,2.35,experimental,10.1021/bi036189j,Spodoptera frugiperda,Homo sapiens,"epoxide hydrolase 2, cytoplasmic, HsEH",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,sEH,282.3329999999999
1720,1VJ5,X-RAY DIFFRACTION,2004-02-03,2004-04-27,,,,,1VJ5,4.0,2.35,experimental,10.1021/bi036189j,Spodoptera frugiperda,Homo sapiens,"epoxide hydrolase 2, cytoplasmic, HsEH",1.0,CIU,N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA,c1cc(ccc1NC(=O)NC2CCCCC2)I,sEH,344.1959999999999
1727,1ZD3,X-RAY DIFFRACTION,2005-04-14,2006-03-07,NC4,36000.0,IC50,nM,1ZD3,4.0,2.3,experimental,10.1110/ps.051720206,Spodoptera frugiperda,Homo sapiens,"epoxide hydrolase 2, cytoplasmic",1.0,NC4,4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID,C1CCC(CC1)NC(=O)NCCCC(=O)O,sEH,228.29199999999997
1730,1ZD4,X-RAY DIFFRACTION,2005-04-14,2006-03-07,NC6,100000.0,IC50,nM,1ZD4,3.0,2.7,experimental,10.1110/ps.051720206,Spodoptera frugiperda,Homo sapiens,"epoxide hydrolase 2, cytoplasmic",1.0,NC6,6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID,C1CCC(CC1)NC(=O)NCCCCCC(=O)O,sEH,256.34599999999995
1733,1ZD5,X-RAY DIFFRACTION,2005-04-14,2006-03-07,,,,,1ZD5,3.0,2.6,experimental,10.1110/ps.051720206,Spodoptera frugiperda,Homo sapiens,"epoxide hydrolase 2, cytoplasmic",1.0,NC7,7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID,C1CCC(CC1)NC(=O)NCCCCCCC(=O)O,sEH,270.37299999999993
1734,3ANS,X-RAY DIFFRACTION,2010-09-08,2011-01-19,S38,565.0,IC50,nM,3ANS,2.0,1.98,experimental,10.1021/jm101273e,Escherichia coli,Homo sapiens,"Epoxide hydrolase 2, Soluble epoxide hydrolase, SEH, Epoxide hydratase, Cytosolic epoxide hydrolase, CEH",1.0,S38,"4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide",c1ccc(cc1)C2CC2NC(=O)c3ccc(cc3)C#N,sEH,262.31199999999995
1735,3ANT,X-RAY DIFFRACTION,2010-09-08,2011-01-19,S82,6.099999905,IC50,nM,3ANT,2.0,2.4,experimental,10.1021/jm101273e,Escherichia coli,Homo sapiens,"Epoxide hydrolase 2, Soluble epoxide hydrolase, SEH, Epoxide hydratase, Cytosolic epoxide hydrolase, CEH",1.0,S82,"4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide",CC(C)c1nc(on1)C2CCN(CC2)C(=O)NC3CC3c4ccccc4,sEH,354.45400000000006
1738,3I1Y,X-RAY DIFFRACTION,2009-06-28,2009-10-13,33N,7.0,IC50,nM,3I1Y,1.0,2.469,experimental,10.1021/jm9005302,Escherichia coli,Homo sapiens,"Epoxide hydrolase 2, Soluble epoxide hydrolase, SEH, Epoxide hydratase, Cytosolic epoxide hydrolase, CEH",1.0,33N,"N-(3,3-diphenylpropyl)pyridine-3-carboxamide",c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3,sEH,316.404
1739,3I28,X-RAY DIFFRACTION,2009-06-29,2009-10-13,34N,6.0,IC50,nM,3I28,1.0,1.95,experimental,10.1021/jm9005302,Escherichia coli,Homo sapiens,"Epoxide hydrolase 2, Soluble epoxide hydrolase, SEH, Epoxide hydratase, Cytosolic epoxide hydrolase, CEH",1.0,34N,4-cyano-N-{(3S)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide,CS(=O)(=O)c1ccc(cc1)C(CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F,sEH,436.5080000000001
1743,3KOO,X-RAY DIFFRACTION,2009-11-13,2010-04-28,24D,18.0,IC50,nM,3KOO,1.0,2.791,experimental,10.1016/j.bmcl.2009.11.091,Escherichia coli,Homo sapiens,"Epoxide hydrolase 2, Soluble epoxide hydrolase, SEH, Epoxide hydratase, Cytosolic epoxide hydrolase, CEH",1.0,24D,"N-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide",c1cnc(nc1)OC2CCN(CC2)C(=O)NCc3ccc(cc3Cl)Cl,sEH,381.2629999999999
1746,3OTQ,X-RAY DIFFRACTION,2010-09-13,2010-10-27,MZL,41.0,IC50,nM,3OTQ,1.0,3,experimental,10.1016/j.bmcl.2010.09.095,Escherichia coli,Homo sapiens,"Epoxide hydrolase 2, Soluble epoxide hydrolase, SEH, Epoxide hydratase, Cytosolic epoxide hydrolase, CEH",1.0,MZL,N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide,CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)c4cccnc4,sEH,369.42800000000005
1747,3PDC,X-RAY DIFFRACTION,2010-10-22,2011-04-06,,,,,3PDC,2.0,2.6,experimental,10.1021/jm101382t,Spodoptera frugiperda,Homo sapiens,"Epoxide hydrolase 2, Cytosolic epoxide hydrolase, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH",1.0,ZYI,"N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide",c1cc2c(cc1Cl)nc(o2)NC(=O)CC3CCCC3,sEH,278.73900000000003
1750,3WK4,X-RAY DIFFRACTION,2013-10-17,2014-04-16,S0A,7400.0,IC50,nM,3WK4,3.0,2.11,experimental,10.1016/j.bmc.2014.03.001,Escherichia coli,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,S0A,1-[(1R)-1-cyclopropylethyl]-3-phenylurea,CC(C1CC1)NC(=O)Nc2ccccc2,sEH,204.27300000000002
1753,3WK5,X-RAY DIFFRACTION,2013-10-17,2014-04-16,S0C,15000.0,IC50,nM,3WK5,3.0,2.77,experimental,10.1016/j.bmc.2014.03.001,Escherichia coli,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,S0C,"2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide",c1csc(n1)NC(=O)CC2CCCC2,sEH,210.30199999999994
1756,3WK6,X-RAY DIFFRACTION,2013-10-17,2014-04-16,S0B,6300.0,IC50,nM,3WK6,3.0,2.1,experimental,10.1016/j.bmc.2014.03.001,Escherichia coli,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,S0B,"(5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine",CC1CN=C(S1)NCCc2ccccc2,sEH,220.341
1759,3WK7,X-RAY DIFFRACTION,2013-10-17,2014-04-16,S0D,127000.0,IC50,nM,3WK7,3.0,2.2,experimental,10.1016/j.bmc.2014.03.001,Escherichia coli,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,S0D,2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole,Cn1cc(cn1)c2[nH]c3ccccc3n2,sEH,198.229
1762,3WK8,X-RAY DIFFRACTION,2013-10-17,2014-04-16,S0E,49000.0,IC50,nM,3WK8,3.0,2.2,experimental,10.1016/j.bmc.2014.03.001,Escherichia coli,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,S0E,"6-(trifluoromethyl)-1,3-benzothiazol-2-amine",c1cc2c(cc1C(F)(F)F)sc(n2)N,sEH,218.203
1765,3WK9,X-RAY DIFFRACTION,2013-10-18,2014-04-16,S0F,70000.0,IC50,nM,3WK9,3.0,2.2,experimental,10.1016/j.bmc.2014.03.001,Escherichia coli,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,S0F,"5-(4-bromobenzyl)-1,3-thiazol-2-amine",c1cc(ccc1Cc2cnc(s2)N)Br,sEH,269.167
1768,3WKA,X-RAY DIFFRACTION,2013-10-18,2014-04-16,S0G,29000.0,IC50,nM,3WKA,3.0,2.01,experimental,10.1016/j.bmc.2014.03.001,Escherichia coli,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,S0G,"6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione",CN1C(=C(C(=O)NC1=O)N2CCCCC2)N,sEH,224.2639999999999
1771,3WKB,X-RAY DIFFRACTION,2013-10-18,2014-04-16,S0I,61000.0,IC50,nM,3WKB,3.0,2.2,experimental,10.1016/j.bmc.2014.03.001,Escherichia coli,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,S0I,"4-benzyl-3,4-dihydroquinoxalin-2(1H)-one",c1ccc(cc1)CN2CC(=O)Nc3c2cccc3,sEH,238.29000000000002
1774,3WKC,X-RAY DIFFRACTION,2013-10-18,2014-04-16,S0J,195000.0,IC50,nM,3WKC,3.0,2.2,experimental,10.1016/j.bmc.2014.03.001,Escherichia coli,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,S0J,"4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine",Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)N,sEH,277.393
1777,3WKD,X-RAY DIFFRACTION,2013-10-18,2014-04-16,S0K,171000.0,IC50,nM,3WKD,3.0,2.48,experimental,10.1016/j.bmc.2014.03.001,Escherichia coli,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,S0K,N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide,c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3,sEH,288.37200000000007
1787,4C4X,X-RAY DIFFRACTION,2013-09-09,2014-10-01,,,,,4C4X,2.0,2.17,experimental,10.1002/ANIE.201500671,Escherichia coli BL21(DE3),Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, BIFUNCTIONAL EPOXIDE HYDROXYLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE",1.0,W9M,"3-(3,4-dichlorophenyl)-1,1-dimethyl-urea",CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl,sEH,233.09799999999998
1788,4C4Y,X-RAY DIFFRACTION,2013-09-09,2014-10-01,,,,,4C4Y,1.0,2.41,experimental,10.1002/ANIE.201500671,Escherichia coli BL21(DE3),Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE, BIFUNCTIONAL EPOXIDE HYDROXYLASE 2",1.0,7WI,1-(3-chlorophenyl)-3-(2-methoxyethyl)urea,COCCNC(=O)Nc1cccc(c1)Cl,sEH,228.679
1789,4C4Z,X-RAY DIFFRACTION,2013-09-09,2014-10-01,,,,,4C4Z,2.0,2.06,experimental,10.1002/ANIE.201500671,Escherichia coli BL21(DE3),Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, BIFUNCTIONAL EPOXIDE HYDROXYLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE",1.0,W9L,1-ethyl-3-naphthalen-1-ylurea,CCNC(=O)Nc1cccc2c1cccc2,sEH,214.268
1792,4HAI,X-RAY DIFFRACTION,2012-09-26,2012-12-26,I23,7.900000095,IC50,nM,4HAI,3.0,2.55,experimental,10.1016/j.bmcl.2012.11.084,Spodoptera frugiperda,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,I23,"N-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide",Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C,sEH,406.59200000000027
1795,4J03,X-RAY DIFFRACTION,2013-01-30,2013-06-05,,,,,4J03,3.0,2.92,experimental,10.1016/j.bmcl.2013.04.083,Spodoptera frugiperda,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,FVS,"(7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol",CC12CCC3c4ccc(cc4CC(C3C1CCC2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O,sEH,606.7820000000008
1796,4JNC,X-RAY DIFFRACTION,2013-03-15,2013-06-05,1LF,3000.0,IC50,nM,4JNC,1.0,1.96,experimental,10.1016/j.bmcl.2013.04.019,Escherichia coli BL21,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,1LF,"1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide",Cc1nc(nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F)NC,sEH,408.428
1801,4OCZ,X-RAY DIFFRACTION,2014-01-09,2014-09-24,2RU,0.6600000262,Ki,nM,4OCZ,3.0,2.94,experimental,10.1021/jm500694p,Spodoptera frugiperda,Homo sapiens,"Bifunctional epoxide hydrolase 2, Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase",1.0,2RU,1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea,CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F,sEH,357.37600000000003
1806,4X6X,X-RAY DIFFRACTION,2014-12-09,2015-04-08,S74,2.299999952,IC50,nM,4X6X,2.0,1.8,experimental,10.1016/j.bmcl.2015.02.076,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,S74,"3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid",c1ccc(cc1)C2C(C2NC(=O)N3CCC(CC3)Oc4ccc(cc4)CCC(=O)O)c5ccccc5,sEH,484.5960000000002
1807,4X6Y,X-RAY DIFFRACTION,2014-12-09,2015-04-08,S94,18.0,IC50,nM,4X6Y,2.0,2.1,experimental,10.1016/j.bmcl.2015.02.076,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,S94,"4-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide",c1ccc(cc1)C2CC2NC(=O)N3CCC(CC3)Oc4ccccc4,sEH,336.435
1809,4Y2J,X-RAY DIFFRACTION,2015-02-10,2015-05-06,49G,800000.0,IC50,nM,4Y2J,2.0,2.15,experimental,10.1016/j.bmc.2015.03.083,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,49G,N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine,Cn1ccc(n1)CNCCc2ccccc2,sEH,215.30000000000004
1811,4Y2P,X-RAY DIFFRACTION,2015-02-10,2015-05-06,3C5,2200000.0,IC50,nM,4Y2P,2.0,2.05,experimental,10.1016/j.bmc.2015.03.083,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,3C5,N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine,CNCc1cccc(c1)c2cccnc2,sEH,198.26899999999998
1813,4Y2Q,X-RAY DIFFRACTION,2015-02-10,2015-05-06,49N,1200000.0,IC50,nM,4Y2Q,2.0,2.4,experimental,10.1016/j.bmc.2015.03.083,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,49N,1-[3-(trifluoromethyl)pyridin-2-yl]piperazine,c1cc(c(nc1)N2CCNCC2)C(F)(F)F,sEH,231.22099999999995
1815,4Y2R,X-RAY DIFFRACTION,2015-02-10,2015-05-06,,,,,4Y2R,2.0,2.45,experimental,10.1016/j.bmc.2015.03.083,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,49O,2-(piperazin-1-yl)pyridine-3-carbonitrile,c1cc(c(nc1)N2CCNCC2)C#N,sEH,188.23399999999998
1817,4Y2S,X-RAY DIFFRACTION,2015-02-10,2015-05-06,49P,52000.0,IC50,nM,4Y2S,2.0,2.3,experimental,10.1016/j.bmc.2015.03.083,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,49P,1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol,c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F,sEH,228.17299999999994
1821,4Y2U,X-RAY DIFFRACTION,2015-02-10,2015-05-06,49R,580000.0,IC50,nM,4Y2U,2.0,2.75,experimental,10.1016/j.bmc.2015.03.083,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,49R,"tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate",CC(C)(C)OC(=O)NC1Cc2ccccc2NC1,sEH,248.326
1823,4Y2V,X-RAY DIFFRACTION,2015-02-10,2015-05-06,4A5,91000.0,IC50,nM,4Y2V,2.0,2.4,experimental,10.1016/j.bmc.2015.03.083,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,4A5,(4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid,c1c(c(nn1CC(=O)O)C2CC2)Br,sEH,245.07599999999996
1825,4Y2X,X-RAY DIFFRACTION,2015-02-10,2015-05-06,4A0,510.0,IC50,nM,4Y2X,2.0,2.5,experimental,10.1016/j.bmc.2015.03.083,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,4A0,"2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol",c1ccc(c(c1)CNCCC23CC4CC(C2)CC(C4)C3)O,sEH,285.431
1827,4Y2Y,X-RAY DIFFRACTION,2015-02-10,2015-05-06,49Z,9000.0,IC50,nM,4Y2Y,2.0,2.3,experimental,10.1016/j.bmc.2015.03.083,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,49Z,2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine,Cc1ccc(s1)CNCCc2ccccc2F,sEH,249.35399999999998
1833,5AI0,X-RAY DIFFRACTION,2015-02-11,2015-05-13,JF6,206400.0,IC50,nM,5AI0,7.0,1.75,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,JF6,"4-PHENYL-1,2,5-OXADIAZOL-3-AMINE",c1ccc(cc1)c2c(non2)N,sEH,161.164
1836,5AI4,X-RAY DIFFRACTION,2015-02-12,2015-05-13,,,,,5AI4,9.0,1.93,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,4VY,2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL,CN(CCO)c1ccc(cn1)Br,sEH,231.093
1842,5AI6,X-RAY DIFFRACTION,2015-02-12,2015-05-13,,,,,5AI6,5.0,2.3,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,4XH,5-BROMOQUINOLINE,c1cc2c(cccn2)c(c1)Br,sEH,208.05799999999996
1845,5AI8,X-RAY DIFFRACTION,2015-02-12,2015-05-13,,,,,5AI8,5.0,1.85,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE",1.0,K2T,"6-methyl-1,3-benzothiazol-2-amine",Cc1ccc2c(c1)sc(n2)N,sEH,164.233
1848,5AI9,X-RAY DIFFRACTION,2015-02-12,2015-05-13,,,,,5AI9,5.0,1.8,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE",1.0,K78,2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol,CC(C)(C)c1cc(c(c(c1)Br)O)CNCCCc2ccccc2,sEH,376.33800000000014
1851,5AIA,X-RAY DIFFRACTION,2015-02-12,2015-05-13,,,,,5AIA,6.0,2.26,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE",1.0,KWB,5-cyclohexyl-2-hydroxybenzoate,c1cc(c(cc1C2CCCCC2)C(=O)[O-])O,sEH,219.25999999999993
1853,5AIB,X-RAY DIFFRACTION,2015-02-12,2015-05-13,,,,,5AIB,4.0,1.95,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE",1.0,KJU,"6-chloro-2H-1,4-benzoxazin-3(4H)-one",c1cc2c(cc1Cl)NC(=O)CO2,sEH,183.59399999999997
1856,5AIC,X-RAY DIFFRACTION,2015-02-12,2015-05-13,TGX,49600.0,IC50,nM,5AIC,4.0,1.89,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,TGX,"7-methyl-2H-1,4-benzothiazin-3(4H)-one",Cc1ccc2c(c1)SCC(=O)N2,sEH,179.244
1861,5AK4,X-RAY DIFFRACTION,2015-03-02,2015-05-13,,,,,5AK4,5.0,1.79,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,GVG,3-METHYL-4-PHENYL-1H-PYRAZOLE,Cc1c(c[nH]n1)c2ccccc2,sEH,158.204
1863,5AK5,X-RAY DIFFRACTION,2015-03-02,2015-05-13,,,,,5AK5,4.0,2.22,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,V2Z,3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE,CCCC1=NC(=CNC1=O)c2cccnc2,sEH,215.256
1867,5AK6,X-RAY DIFFRACTION,2015-03-02,2015-05-13,,,,,5AK6,8.0,2.15,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,YPN,2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL,c1cc(ncc1Cl)SCCO,sEH,189.66699999999997
1871,5AKE,X-RAY DIFFRACTION,2015-03-03,2015-05-13,6N0,20.0,IC50,nM,5AKE,6.0,2.26,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE",1.0,6N0,"N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide",c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F,sEH,378.40000000000015
1874,5AKG,X-RAY DIFFRACTION,2015-03-03,2015-05-13,6N6,34810.0,IC50,nM,5AKG,3.0,2.51,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE",1.0,6N6,"5-(2-thienyl)-1,3,4-thiadiazol-2-amine",c1cc(sc1)c2nnc(s2)N,sEH,183.261
1877,5AKH,X-RAY DIFFRACTION,2015-03-03,2015-05-13,,,,,5AKH,5.0,2.1,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,6NM,4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine,c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3,sEH,289.26
1882,5AKI,X-RAY DIFFRACTION,2015-03-03,2015-05-13,,,,,5AKI,10.0,1.81,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,6NF,N-(CYCLOHEXYLMETHYL)-3-(4-PYRIDYL)-1H-PYRAZOL-5-AMINE,c1cnccc1c2cc(n[nH]2)NCC3CCCCC3,sEH,256.35299999999995
1885,5AKJ,X-RAY DIFFRACTION,2015-03-03,2015-05-13,6N4,1370.0,IC50,nM,5AKJ,8.0,2.03,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,6N4,2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL,c1ccc2c(c1)[nH]c(n2)SCCO,sEH,194.25899999999996
1887,5AKK,X-RAY DIFFRACTION,2015-03-03,2015-05-13,,,,,5AKK,4.0,1.9,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,1P8,"6-bromo-1,3-dihydro-2H-indol-2-one",c1cc2c(cc1Br)NC(=O)C2,sEH,212.04599999999996
1889,5AKL,X-RAY DIFFRACTION,2015-03-03,2015-05-13,,,,,5AKL,5.0,2,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,6N8,"N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE",c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3,sEH,304.39300000000003
1892,5AKX,X-RAY DIFFRACTION,2015-03-05,2015-05-13,,,,,5AKX,4.0,2.09,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,SOLUBLE EPOXIDE HYDROLASE,1.0,8NY,5-iodanyl-1H-indazole,c1cc2c(cc1I)cn[nH]2,sEH,244.035
1895,5AKY,X-RAY DIFFRACTION,2015-03-05,2015-05-13,,,,,5AKY,6.0,2.18,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE",1.0,6NJ,3-(2-phenylethyl)-1H-indazole,c1ccc(cc1)CCc2c3ccccc3[nH]n2,sEH,222.29100000000003
1898,5AKZ,X-RAY DIFFRACTION,2015-03-05,2015-05-13,,,,,5AKZ,7.0,2.18,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,6NX,1-CYCLOHEXYL-3-METHYL-UREA,CNC(=O)NC1CCCCC1,sEH,156.22899999999996
1901,5ALD,X-RAY DIFFRACTION,2015-03-08,2015-05-13,FCW,1080.0,IC50,nM,5ALD,4.0,2.26,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,FCW,"5-cyclohexyl-1,3-dihydroindol-2-one",c1cc2c(cc1C3CCCCC3)CC(=O)N2,sEH,215.29599999999994
1904,5ALE,X-RAY DIFFRACTION,2015-03-08,2015-05-13,ONR,1130.0,IC50,nM,5ALE,7.0,1.95,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,ONR,4-chloro-2-isoxazol-5-yl-phenol,c1cc(c(cc1Cl)c2ccno2)O,sEH,195.60500000000002
1905,5ALF,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALF,1.0,2.32,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,OE1,"2-phenyl-N,N-dipropyl-1H-benzimidazole-5-sulfonamide",CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3,sEH,357.47900000000004
1908,5ALG,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALG,4.0,2.4,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,R4N,"4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide",c1ccc2c(c1)OCC(O2)CNC(=O)c3ccc4c(c3)N(C(=O)CS4)Cc5cccc(c5)Cl,sEH,480.9730000000002
1911,5ALH,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALH,4.0,1.9,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,4UA,4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-N-(p-tolylmethyl)piperidine-1-carboxamide,Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4,sEH,521.6830000000002
1914,5ALI,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALI,7.0,1.85,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,Q3B,"1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea",COc1ccc(cc1)NC(=O)Nc2cccc(c2)c3c(n(cn3)CC4CCCO4)c5nc6c(ncnc6s5)N,sEH,542.6250000000002
1917,5ALJ,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALJ,5.0,2.1,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,T5J,2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol,Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C,sEH,282.31800000000004
1920,5ALK,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALK,4.0,2.33,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,WMR,"5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine",CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C,sEH,290.43600000000004
1923,5ALL,X-RAY DIFFRACTION,2015-03-08,2015-05-13,II6,2680.0,IC50,nM,5ALL,6.0,2.2,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,SOLUBLE EPOXIDE HYDROLASE,1.0,II6,"[(1R,3S,5R)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol",CC1CC(CC(C1)CO)CN,sEH,157.25699999999998
1925,5ALM,X-RAY DIFFRACTION,2015-03-08,2015-05-13,7GM,290.0,IC50,nM,5ALM,4.0,2,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,7GM,(3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine,CC1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC,sEH,277.433
1928,5ALN,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALN,7.0,2,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,5ZM,"5-(4-FLUOROPHENYL)-3,3-DIMETHYL-INDOLIN-2-ONE",CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C,sEH,255.29199999999997
1930,5ALO,X-RAY DIFFRACTION,2015-03-08,2015-05-13,A0J,740.0,IC50,nM,5ALO,4.0,2,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,A0J,3-BENZYL-3-METHYL-5-(1-METHYLPYRAZOL-4-YL)INDOLIN-2-ONE,CC1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4,sEH,317.392
1934,5ALP,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALP,7.0,2.06,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,QYD,N-(4-NITROPHENYL)-2-PHENYL-THIOMORPHOLINE-4-CARBOXAMIDE,c1ccc(cc1)C2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-],sEH,343.4080000000001
1936,5ALQ,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALQ,3.0,2.78,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,GZP,1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL,c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O,sEH,228.29499999999993
1938,5ALR,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALR,4.0,2.6,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,8TM,N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL]QUINAZOLIN-4-AMINE,c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F,sEH,321.327
1940,5ALS,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALS,4.0,2.57,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE",1.0,5DQ,"N-CYCLOPENTYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE-7-SULFONAMIDE",c1cc(ccc1c2[nH]c3c(ccnc3n2)S(=O)(=O)NC4CCCC4)C(F)(F)F,sEH,410.42100000000016
1944,5ALT,X-RAY DIFFRACTION,2015-03-08,2015-05-13,9XZ,13100.0,IC50,nM,5ALT,7.0,2.15,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,9XZ,3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine,Cn1nc(nn1)c2cc(cnc2N)c3ccsc3,sEH,258.31
1945,5ALU,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALU,7.0,1.87,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,HD2,"4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide",c1c(c(nc(n1)NC2CCOC2)C3CCCC3)C(=O)NC4C5CC6CC4CC(C6)(C5)O,sEH,426.5610000000002
1948,5ALV,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5ALV,4.0,1.8,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,6TZ,3-(3-fluorophenyl)-1H-pyrazole,c1cc(cc(c1)F)c2cc[nH]n2,sEH,162.167
1951,5ALW,X-RAY DIFFRACTION,2015-03-08,2015-05-13,JQN,7050.0,IC50,nM,5ALW,4.0,2.2,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,JQN,"5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one",Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3,sEH,297.37899999999996
1954,5ALX,X-RAY DIFFRACTION,2015-03-08,2015-05-13,DUL,3280.0,IC50,nM,5ALX,4.0,2.23,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,DUL,5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide,CCSc1cccc(c1)c2ccc(s2)C(=O)N,sEH,263.387
1957,5ALY,X-RAY DIFFRACTION,2015-03-08,2015-05-13,B7H,180.0,IC50,nM,5ALY,8.0,1.9,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,B7H,"5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile",Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N,sEH,284.294
1962,5AM0,X-RAY DIFFRACTION,2015-03-08,2015-05-13,LWS,1320.0,IC50,nM,5AM0,6.0,1.88,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,LWS,"7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one",CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C,sEH,258.296
1965,5AM1,X-RAY DIFFRACTION,2015-03-08,2015-05-13,I5T,3.0,IC50,nM,5AM1,5.0,2.15,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,I5T,"4-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide",c1ccc(cc1)C2CC2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4,sEH,376.4560000000001
1969,5AM2,X-RAY DIFFRACTION,2015-03-08,2015-05-13,,,,,5AM2,8.0,1.7,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,KUF,7-METHYL-2H-ISOQUINOLIN-1-ONE,Cc1ccc2c(c1)C(=O)NC=C2,sEH,159.18800000000002
1981,5AM4,X-RAY DIFFRACTION,2015-03-09,2015-05-13,MVJ,110.0,IC50,nM,5AM4,10.0,1.87,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,MVJ,"5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one",c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2,sEH,285.3869999999999
1983,5AM5,X-RAY DIFFRACTION,2015-03-09,2015-05-13,6NZ,1820.0,IC50,nM,5AM5,5.0,2.26,experimental,10.1016/J.DRUDIS.2015.04.005,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH",1.0,6NZ,5-cyclohexyl-3-propyl-1H-pyridin-2-one,CCCC1=CC(=CNC1=O)C2CCCCC2,sEH,219.32799999999992
1985,5FP0,X-RAY DIFFRACTION,2015-11-26,2016-03-02,,,,,5FP0,2.0,2.35,experimental,10.1002/CMDC.201500575,Spodoptera frugiperda,Homo sapiens,"BIFUNCTIONAL EPOXIDE HYDROLASE 2, CYTOSOLIC EPOXIDE HYDROLASE 2, CEH, EPOXIDE HYDRATASE, SOLUBLE EPOXIDE HYDROLASE, SEH, LIPID-PHOSPHATE PHOSPHATASE",1.0,SZC,N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide,c1cc2c(c(c1)S(=O)(=O)NC3CCCC3)[nH]c(n2)c4ccc(cc4)C(F)(F)F,sEH,409.433
1987,5MWA,X-RAY DIFFRACTION,2017-01-18,2018-02-28,,,,,5MWA,2.0,1.55,experimental,10.1021/acs.jmedchem.9b00445,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,8S9,"3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid",c1ccc(cc1)c2c(nc(o2)c3cccc(c3)C(=O)O)c4ccc(c(c4)Cl)Cl,sEH,410.2560000000001
1994,6FR2,X-RAY DIFFRACTION,2018-02-15,2018-09-12,,,,,6FR2,2.0,2.262,experimental,10.1016/j.bioorg.2018.07.014,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,E3N,1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea,CC(C)S(=O)(=O)N1CCC2(CC1)CC(CCO2)NC(=O)NCc3ccc(cc3)OC(F)(F)F,sEH,493.54800000000006
1997,6HGV,X-RAY DIFFRACTION,2018-08-23,2019-07-03,G3Q,2800.0,IC50,nM,6HGV,2.0,2,experimental,10.1021/acsmedchemlett.9b00075,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,G3Q,R-Talinolol,CC(C)(C)NCC(COc1ccc(cc1)NC(=O)NC2CCCCC2)O,sEH,363.50200000000024
1998,6HGW,X-RAY DIFFRACTION,2018-08-23,2019-08-07,G3W,3600.0,IC50,nM,6HGW,1.0,2.407,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,G3W,2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine,c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F,sEH,321.395
2000,6HGX,X-RAY DIFFRACTION,2018-08-23,2019-07-03,G3T,77.0,IC50,nM,6HGX,2.0,2.16,experimental,10.1021/acsmedchemlett.9b00075,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,G3T,1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea,CC(C)(C)N1CCOC(C1)COc2ccc(cc2)NC(=O)NC3CCCCC3,sEH,389.5400000000002
2003,6I5G,X-RAY DIFFRACTION,2018-11-13,2019-05-29,,,,,6I5G,14.0,2,experimental,10.1038/s42003-019-0426-2,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,PTG,"(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid",CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O,sEH,316.4410000000001
2004,6YL4,X-RAY DIFFRACTION,2020-04-06,2020-10-21,OWW,7.0,IC50,nM,6YL4,1.0,2.001,experimental,10.1021/acs.jmedchem.0c00561,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,OWW,3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide,CC(C#Cc1cccc(c1)C(=O)NCCC(c2ccccc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O,sEH,525.5270000000002
2005,7A7G,X-RAY DIFFRACTION,2020-08-28,2021-08-04,TK9,330.0,IC50,nM,7A7G,2.0,2.4,experimental,10.1021/acs.jmedchem.0c02063,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,TK9,(2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid,CCC(Cc1ccc(cc1)C(=O)NCc2ccc(cc2C(F)(F)F)OC)C(=O)O,sEH,409.4040000000001
2007,7EBA,X-RAY DIFFRACTION,2021-03-09,2022-03-09,,,,,7EBA,2.0,2.3,experimental,10.1073/pnas.2118818119,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,J0U,"(2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one",CC(=CCC(Cc1c(cc(c2c1OC(CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C,sEH,438.5200000000002
2008,7P4K,X-RAY DIFFRACTION,2021-07-11,2022-07-06,5IV,8.0,IC50,nM,7P4K,2.0,2.15,experimental,10.1021/acs.jmedchem.1c01331,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,5IV,~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide,c1cc(cc(c1)F)Cn2ccc3c2ccc(c3)C(=O)NCc4ccc(cc4C(F)(F)F)NS(=O)(=O)C5CC5,sEH,545.558
2009,8QMZ,X-RAY DIFFRACTION,2023-09-25,2024-02-14,,,,,8QMZ,20.0,1.47,experimental,10.1126/science.adm8095,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,W6O,"(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide",Cc1ccc(cc1)S(=O)(=O)N2CC3CC(CC3C2)C(=O)NCc4ccc(cc4Cl)Cl,sEH,467.4180000000001
2011,8QN0,X-RAY DIFFRACTION,2023-09-25,2024-02-14,,,,,8QN0,8.0,1.49,experimental,10.1126/science.adm8095,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,WJ5,"(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide",Cc1ccc(cc1)S(=O)(=O)N2CC3CN(CC3C2)C(=O)NCc4ccc(cc4Cl)Cl,sEH,468.4060000000002
2013,8QVF,X-RAY DIFFRACTION,2023-10-18,2024-08-14,,,,,8QVF,1.0,2.4,experimental,10.1107/S2052252524006134,Spodoptera,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,XQ9,1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea,CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3,sEH,355.50400000000025
2014,8QVG,X-RAY DIFFRACTION,2023-10-18,2024-08-14,,,,,8QVG,1.0,2.2,experimental,10.1107/S2052252524006134,Spodoptera frugiperda,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,6N8,"N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE",c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3,sEH,304.39300000000003
2015,8QVH,X-RAY DIFFRACTION,2023-10-18,2024-08-14,,,,,8QVH,1.0,2.24,experimental,10.1107/S2052252524006134,Spodoptera frugiperda,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,AUB,"4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid",c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4,sEH,412.53000000000026
2016,8QVK,X-RAY DIFFRACTION,2023-10-18,2024-08-14,,,,,8QVK,1.0,2.1,experimental,10.1107/S2052252524006134,Spodoptera,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,6N0,"N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide",c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F,sEH,378.40000000000015
2017,8QVL,X-RAY DIFFRACTION,2023-10-18,2024-08-14,,,,,8QVL,4.0,2.14,experimental,10.1107/S2052252524006134,Spodoptera frugiperda,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,4VY,2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL,CN(CCO)c1ccc(cn1)Br,sEH,231.093
2019,8QVL,X-RAY DIFFRACTION,2023-10-18,2024-08-14,,,,,8QVL,4.0,2.14,experimental,10.1107/S2052252524006134,Spodoptera frugiperda,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,sEH,150.174
2020,8QVM,X-RAY DIFFRACTION,2023-10-18,2024-08-14,,,,,8QVM,1.0,2,experimental,10.1107/S2052252524006134,Spodoptera frugiperda,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,sEH,150.174
2021,8QWG,X-RAY DIFFRACTION,2023-10-19,2024-08-14,,,,,8QWG,1.0,2.2,experimental,10.1107/S2052252524006134,Spodoptera frugiperda,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,sEH,150.174
2023,8QWI,X-RAY DIFFRACTION,2023-10-19,2024-08-14,,,,,8QWI,2.0,2.12,experimental,10.1107/S2052252524006134,Spodoptera frugiperda,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,6N4,2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL,c1ccc2c(c1)[nH]c(n2)SCCO,sEH,194.25899999999996
2025,8QZD,X-RAY DIFFRACTION,2023-10-27,2024-02-28,,,,,8QZD,14.0,1.3,experimental,10.1021/acs.jmedchem.3c02245,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,XDZ,"2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide",c1cc2c(cc1Br)c(cn2CC(=O)NC3CCCCCC3)C(=O)C(F)(F)F,sEH,445.2790000000003
2027,8S75,X-RAY DIFFRACTION,2024-02-29,2025-03-12,,,,,8S75,10.0,1.42,experimental,,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,sEH,194.22699999999998
2029,8S75,X-RAY DIFFRACTION,2024-02-29,2025-03-12,,,,,8S75,10.0,1.42,experimental,,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,A1H5L,"~{N}-[2-[2-[2-[2-[2-[2-[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]cyclohexyl]oxy-benzamide",c1cc2c(c(c1)OCC(=O)NCCOCCOCCOCCOCCNC(=O)c3ccc(cc3)OC4CCC(CC4)NC(=O)Nc5ccc(cc5)OC(F)(F)F)C(=O)N(C2=O)C6CCC(=O)NC6=O,sEH,970.9519999999999
2034,8S77,X-RAY DIFFRACTION,2024-02-29,2025-03-12,,,,,8S77,10.0,1.36,experimental,10.1021/acs.jmedchem.5c00552,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,A1H5J,~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-ethylsulfonyl-indole-5-carboxamide,CCS(=O)(=O)n1ccc2c1ccc(c2)C(=O)NCc3ccc(cc3C(F)(F)F)NS(=O)(=O)C4CC4,sEH,529.562
2036,8ZBL,X-RAY DIFFRACTION,2024-04-26,2024-12-11,,,,,8ZBL,3.0,2.7,experimental,10.1016/j.ejmech.2024.116937,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,A1D78,"1-[[(2~{S},4~{a}~{S},6~{a}~{R},6~{a}~{S},6~{b}~{R},8~{a}~{R},10~{S},12~{a}~{S},14~{b}~{S})-10-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4~{a},6~{a},6~{b},9,9,12~{a}-heptamethyl-13-oxidanylidene-3,4,5,6,6~{a},7,8,8~{a},10,11,12,14~{b}-dodecahydro-1~{H}-picen-2-yl]methyl]-3-(oxan-4-ylmethyl)urea",CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)O)C)C(=O)C=C5C3(CCC6(C5CC(CC6)(C)CNC(=O)NCC7CCOCC7)C)C)C)C,sEH,759.0379999999998
2042,9F1A,X-RAY DIFFRACTION,2024-04-18,2025-04-30,,,,,9F1A,2.0,2.8,experimental,10.1080/14756366.2025.2574990,Escherichia coli,Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,A1H8Y,"1-(2,3-dimethoxy-9-methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)-3-(1-(tetrahydro-2H-pyran-4-carbonyl)piperidin-4-yl)urea",CC12CC3CC(C1)(CC(C2)c4c3cc(c(c4)OC)OC)NC(=O)NC5CCN(CC5)C(=O)C6CCOCC6,sEH,525.6900000000004
2045,9JFM,X-RAY DIFFRACTION,2024-09-04,2025-09-10,,,,,9JFM,3.0,3.13,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,A1EBK,"1-[(13~{a}~{R})-2,3-dimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[3,2-a]isoquinolin-10-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea",COc1cc2c(cc1OC)C3Cc4ccc(cc4CN3CC2)NC(=O)NCc5ccc(cc5)OC(F)(F)F,sEH,527.5430000000002
2046,9KPI,X-RAY DIFFRACTION,2024-11-22,2025-04-16,,,,,9KPI,3.0,2.4,experimental,10.1021/acs.jmedchem.5c00685,Escherichia coli BL21(DE3),Homo sapiens,Bifunctional epoxide hydrolase 2,1.0,A1EGG,"1-[1-[2-(3,5-dimethoxyphenyl)ethanoyl]piperidin-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea",COc1cc(cc(c1)OC)CC(=O)N2CCC(CC2)NC(=O)NCc3ccc(cc3)OC(F)(F)F,sEH,495.4980000000001
2047,1J7E,X-RAY DIFFRACTION,2001-05-16,2002-02-06,,,,,1J7E,5.0,2.55,experimental,10.1038/nsb754,,Homo sapiens,vitamin D binding protein,1.0,JY,3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL,CC(Cc1cccc(c1)O)C2CCC3C2(CCCC3=CC=C4CC(CCC4=C)O)C,HSA,406.6100000000002
2048,1J7E,X-RAY DIFFRACTION,2001-05-16,2002-02-06,,,,,1J7E,5.0,2.55,experimental,10.1038/nsb754,,Homo sapiens,vitamin D binding protein,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
2049,4LA0,X-RAY DIFFRACTION,2013-06-18,2013-07-24,,,,,4LA0,2.0,2.4,experimental,10.1016/j.bbagen.2013.06.032,,Homo sapiens,SERUM ALBUMIN,1.0,198,R-BICALUTAMIDE,CC(CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,HSA,430.3790000000001
2051,5ID7,X-RAY DIFFRACTION,2016-02-24,2016-05-11,,,,,5ID7,12.0,2.26,experimental,10.1042/BSR20160089,,Homo sapiens,Serum albumin,1.0,6A4,"(4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate",CCCCCCCCCCCCCC(=O)OCC1COP(=S)(O1)[S-],HSA,395.547
2052,5ID7,X-RAY DIFFRACTION,2016-02-24,2016-05-11,,,,,5ID7,12.0,2.26,experimental,10.1042/BSR20160089,,Homo sapiens,Serum albumin,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
2054,2BXA,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXA,4.0,2.35,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,C1F,3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC,CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C,HSA,240.25499999999997
2055,2BXH,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXH,4.0,2.25,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,IOS,3-SULFOOXY-1H-INDOLE,c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O,HSA,213.21399999999997
2056,2XW0,X-RAY DIFFRACTION,2010-10-28,2010-11-10,,,,,2XW0,4.0,2.4,experimental,10.1016/J.JSB.2010.10.004,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,9NF,DANSYL-L-PHENYLALANINE,CN(C)c1cccc2c1cccc2S(=O)(=O)NC(Cc3ccccc3)C(=O)O,HSA,398.48400000000015
2057,1J78,X-RAY DIFFRACTION,2001-05-16,2002-02-06,,,,,1J78,4.0,2.31,experimental,10.1038/nsb754,,Homo sapiens,vitamin D binding protein,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
2058,1J78,X-RAY DIFFRACTION,2001-05-16,2002-02-06,,,,,1J78,4.0,2.31,experimental,10.1038/nsb754,,Homo sapiens,vitamin D binding protein,1.0,VDY,"3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL",CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,HSA,400.6470000000002
2059,4LB2,X-RAY DIFFRACTION,2013-06-20,2013-07-24,,,,,4LB2,4.0,2.8,experimental,10.1016/j.bbagen.2013.06.032,,Homo sapiens,SERUM ALBUMIN,1.0,DM5,IDARUBICIN,CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O,HSA,497.5000000000002
2060,2BXB,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXB,2.0,3.2,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,OPB,"4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE",CCCCC1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3,HSA,324.38000000000005
2061,3LU6,X-RAY DIFFRACTION,2010-02-17,2010-10-27,,,,,3LU6,4.0,2.7,experimental,10.1016/j.bmc.2010.08.052,,Homo sapiens,Serum albumin,1.0,IMX,"[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid",c1ccc2c(c1)CC(C2CC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F,HSA,352.365
2062,4L9K,X-RAY DIFFRACTION,2013-06-18,2013-07-24,,,,,4L9K,2.0,2.4,experimental,10.1016/j.bbagen.2013.06.032,,Homo sapiens,SERUM ALBUMIN,1.0,EHF,"(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid",CCC(C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O,HSA,366.3730000000001
2063,2BX8,X-RAY DIFFRACTION,2005-07-25,2005-09-22,,,,,2BX8,4.0,2.7,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,AZQ,AZAPROPAZONE,CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C,HSA,300.3620000000001
2064,2BXF,X-RAY DIFFRACTION,2005-07-26,2005-09-22,DZP,24547.0,Kd,nM,2BXF,2.0,2.95,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,DZP,"7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE",CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl,HSA,284.746
2065,2XVQ,X-RAY DIFFRACTION,2010-10-27,2010-11-10,,,,,2XVQ,2.0,2.9,experimental,10.1016/J.JSB.2010.10.004,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,9DS,DANSYL-L-SARCOSINE,CN(C)c1cccc2c1cccc2S(=O)(=O)N(C)CC(=O)O,HSA,322.3860000000001
2066,1E7B,X-RAY DIFFRACTION,2000-08-26,2001-01-17,HLT,2900000.0,IC50,nM,1E7B,6.0,2.38,experimental,10.1074/JBC.M005460200,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,HLT,"2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE",C(C(F)(F)F)(Cl)Br,HSA,197.381
2067,2BXE,X-RAY DIFFRACTION,2005-07-26,2005-09-22,1FL,58800.0,Ki,nM,2BXE,6.0,2.95,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,1FL,"5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID",c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,HSA,250.19999999999996
2070,3LU7,X-RAY DIFFRACTION,2010-02-17,2010-10-27,,,,,3LU7,7.0,2.8,experimental,10.1016/j.bmc.2010.08.052,,Homo sapiens,Serum albumin,1.0,IPX,"4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid",c1ccc2c(c1)CC(C2CCCC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F,HSA,380.41900000000004
2072,3LU8,X-RAY DIFFRACTION,2010-02-17,2010-10-27,,,,,3LU8,2.0,2.6,experimental,10.1016/j.bmc.2010.08.052,,Homo sapiens,Serum albumin,1.0,IQX,"N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide",Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C,HSA,441.53500000000014
2073,3UIV,X-RAY DIFFRACTION,2011-11-06,2012-11-07,,,,,3UIV,14.0,2.2,experimental,,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2074,3UIV,X-RAY DIFFRACTION,2011-11-06,2012-11-07,,,,,3UIV,14.0,2.2,experimental,,,Homo sapiens,Serum albumin,1.0,308,"(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine",C1C2CC3CC1CC(C2)(C3)N,HSA,151.253
2075,2XW1,X-RAY DIFFRACTION,2010-10-28,2010-11-10,,,,,2XW1,2.0,2.5,experimental,10.1016/J.JSB.2010.10.004,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,9NV,DANSYL-L-NORVALINE,CCCC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C,HSA,350.44000000000005
2076,2YDF,X-RAY DIFFRACTION,2011-03-18,2011-04-27,,,,,2YDF,8.0,2.75,experimental,10.1186/1472-6807-11-18,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,IO3,IOPHENOXIC ACID,CCC(Cc1c(cc(c(c1I)O)I)I)C(=O)O,HSA,571.9180000000001
2078,1E7A,X-RAY DIFFRACTION,2000-08-26,2001-01-17,,,,,1E7A,4.0,2.2,experimental,10.1074/JBC.M005460200,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,PFL,"2,6-BIS(1-METHYLETHYL)PHENOL",CC(C)c1cccc(c1O)C(C)C,HSA,178.27499999999998
2079,2VUE,X-RAY DIFFRACTION,2008-05-24,2008-06-17,,,,,2VUE,2.0,2.42,experimental,10.1016/J.JMB.2008.06.016,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,BLA,BILIVERDINE IX ALPHA,Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O,HSA,582.6570000000003
2080,2XVU,X-RAY DIFFRACTION,2010-10-28,2010-11-10,,,,,2XVU,4.0,2.6,experimental,10.1016/J.JSB.2010.10.004,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,9DN,DANSYL-L-ASPARAGINE,CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CC(=O)N)C(=O)O,HSA,365.4110000000002
2081,5X52,X-RAY DIFFRACTION,2017-02-14,2017-05-17,,,,,5X52,7.0,3.005,experimental,10.1016/j.bbapap.2017.04.004,Pichia,Homo sapiens,Serum albumin,1.0,AME,N-ACETYLMETHIONINE,CC(=O)NC(CCSC)C(=O)O,HSA,191.25199999999998
2084,4L9Q,X-RAY DIFFRACTION,2013-06-18,2013-07-24,,,,,4L9Q,2.0,2.7,experimental,10.1016/j.bbagen.2013.06.032,,Homo sapiens,SERUM ALBUMIN,1.0,9TP,"(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol
-5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside",COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)OC6C(C(C7C(O6)COC(O7)c8cccs8)O)O)OCO4,HSA,656.6620000000005
2085,2BXD,X-RAY DIFFRACTION,2005-07-26,2005-09-22,RWF,12000.0,Kd,nM,2BXD,2.0,3.05,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,RWF,R-WARFARIN,CC(=O)CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O,HSA,308.333
2091,6L4K,X-RAY DIFFRACTION,2019-10-17,2020-10-21,,,,,6L4K,13.0,2.09,experimental,10.1021/acs.jmedchem.9b00939,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,E5O,"2-bromanyl-9-ethyl-~{N},~{N},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine",CCc1c2[n+](ccn1)[Cu-2]3([N+](=C2C)N=C(S3)N(C)C)Br,HSA,393.80100000000004
2092,6L4K,X-RAY DIFFRACTION,2019-10-17,2020-10-21,,,,,6L4K,13.0,2.09,experimental,10.1021/acs.jmedchem.9b00939,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2093,2BXG,X-RAY DIFFRACTION,2005-07-26,2005-09-22,IBP,73000.0,Kd,nM,2BXG,4.0,2.7,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,IBP,IBUPROFEN,CC(C)Cc1ccc(cc1)C(C)C(=O)O,HSA,206.28499999999997
2095,5GIX,X-RAY DIFFRACTION,2016-06-25,2017-07-19,,,,,5GIX,14.0,2.801,experimental,10.1021/acs.jmedchem.6b00509,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,6WF,"14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene",c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5,HSA,368.2630000000002
2096,5GIX,X-RAY DIFFRACTION,2016-06-25,2017-07-19,,,,,5GIX,14.0,2.801,experimental,10.1021/acs.jmedchem.6b00509,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2097,5Z0B,X-RAY DIFFRACTION,2017-12-19,2018-12-19,,,,,5Z0B,57.0,2.17,experimental,,,Homo sapiens,Serum albumin,1.0,EIC,LINOLEIC ACID,CCCCCC=CCC=CCCCCCCCC(=O)O,HSA,280.4519999999999
2099,5Z0B,X-RAY DIFFRACTION,2017-12-19,2018-12-19,,,,,5Z0B,57.0,2.17,experimental,,,Homo sapiens,Serum albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2100,5Z0B,X-RAY DIFFRACTION,2017-12-19,2018-12-19,,,,,5Z0B,57.0,2.17,experimental,,,Homo sapiens,Serum albumin,1.0,TRP,TRYPTOPHAN,c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N,HSA,204.22899999999996
2103,5Z0B,X-RAY DIFFRACTION,2017-12-19,2018-12-19,,,,,5Z0B,57.0,2.17,experimental,,,Homo sapiens,Serum albumin,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
2104,5Z0B,X-RAY DIFFRACTION,2017-12-19,2018-12-19,,,,,5Z0B,57.0,2.17,experimental,,,Homo sapiens,Serum albumin,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
2105,5Z0B,X-RAY DIFFRACTION,2017-12-19,2018-12-19,,,,,5Z0B,57.0,2.17,experimental,,,Homo sapiens,Serum albumin,1.0,1PE,PENTAETHYLENE GLYCOL,C(COCCOCCOCCOCCO)O,HSA,238.27999999999994
2106,5YOQ,X-RAY DIFFRACTION,2017-10-30,2018-02-07,,,,,5YOQ,4.0,2.65,experimental,10.1016/j.bbrep.2018.01.006,Pichia,Homo sapiens,Serum albumin,1.0,CLT,4-PHENYL-BUTANOIC ACID,c1ccc(cc1)CCCC(=O)O,HSA,164.20399999999998
2108,5YB1,X-RAY DIFFRACTION,2017-09-02,2018-09-05,,,,,5YB1,16.0,2.616,experimental,10.1021/acs.molpharmaceut.8b00045,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2109,5YB1,X-RAY DIFFRACTION,2017-09-02,2018-09-05,,,,,5YB1,16.0,2.616,experimental,10.1021/acs.molpharmaceut.8b00045,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,8ZR,"~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine",CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C,HSA,285.86300000000006
2110,5UJB,X-RAY DIFFRACTION,2017-01-17,2017-05-03,,,,,5UJB,4.0,2.7,experimental,10.1016/j.bmc.2017.03.060,Homo sapiens,Homo sapiens,Serum albumin,1.0,6AK,"4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid",Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl,HSA,712.6780000000001
2112,6A7P,X-RAY DIFFRACTION,2018-07-03,2018-10-24,,,,,6A7P,6.0,2.28,experimental,10.1021/acsomega.8b02057,Pichia,Homo sapiens,Serum albumin,1.0,9SC,"7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one",c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4,HSA,448.3940000000003
2115,6A7P,X-RAY DIFFRACTION,2018-07-03,2018-10-24,,,,,6A7P,6.0,2.28,experimental,10.1021/acsomega.8b02057,Pichia,Homo sapiens,Serum albumin,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
2116,1TF0,X-RAY DIFFRACTION,2004-05-26,2004-09-07,,,,,1TF0,4.0,2.7,experimental,10.1074/jbc.M406957200,,Homo sapiens,Serum albumin,1.0,DKA,DECANOIC ACID,CCCCCCCCCC(=O)O,HSA,172.268
2118,2BXC,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXC,2.0,3.1,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,P1Z,"4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE",CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,HSA,308.38100000000003
2120,6WUW,X-RAY DIFFRACTION,2020-05-05,2020-05-20,,,,,6WUW,20.0,2.2,experimental,10.1124/molpharm.120.000131,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2121,6WUW,X-RAY DIFFRACTION,2020-05-05,2020-05-20,,,,,6WUW,20.0,2.2,experimental,10.1124/molpharm.120.000131,,Homo sapiens,Serum albumin,1.0,UAY,"7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione",c1ccc(cc1)c2cc3c(s2)C(=N)C(=O)NC3=O,HSA,256.286
2122,6WUW,X-RAY DIFFRACTION,2020-05-05,2020-05-20,,,,,6WUW,20.0,2.2,experimental,10.1124/molpharm.120.000131,,Homo sapiens,Serum albumin,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
2126,3A73,X-RAY DIFFRACTION,2009-09-11,2010-01-19,,,,,3A73,15.0,2.19,experimental,10.1021/ja908878n,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2127,3A73,X-RAY DIFFRACTION,2009-09-11,2010-01-19,,,,,3A73,15.0,2.19,experimental,10.1021/ja908878n,,Homo sapiens,Serum albumin,1.0,PJ2,"(5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid",CCCCCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)O)O,HSA,334.45600000000013
2128,3SQJ,X-RAY DIFFRACTION,2011-07-05,2011-11-02,,,,,3SQJ,15.0,2.05,experimental,10.1073/pnas.1109736108,Oryza sativa,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2129,2VUF,X-RAY DIFFRACTION,2008-05-24,2008-06-24,,,,,2VUF,4.0,3.05,experimental,10.1016/J.JMB.2008.06.016,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,FUA,FUSIDIC ACID,CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,HSA,516.7190000000004
2130,7X7X,X-RAY DIFFRACTION,2022-03-10,2022-09-07,,,,,7X7X,5.0,2.1,experimental,10.1021/acsomega.2c02929,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,AJW,"7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one",c1ccc(cc1)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4,HSA,379.5040000000001
2132,6M5E,X-RAY DIFFRACTION,2020-03-10,2020-11-18,,,,,6M5E,21.0,2.8,experimental,10.1021/acs.jmedchem.0c01578,Homo sapiens,Homo sapiens,Serum albumin,1.0,JEF,O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500),CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOC)N,HSA,597.8310000000001
2138,7D6J,X-RAY DIFFRACTION,2020-09-30,2021-02-03,,,,,7D6J,8.0,3.29,experimental,10.1021/acs.molpharmaceut.0c01004,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,R75,"[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone",CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br,HSA,424.0879999999999
2139,3JQZ,X-RAY DIFFRACTION,2009-09-08,2010-04-21,,,,,3JQZ,1.0,3.3,experimental,10.1016/j.jsb.2010.03.014,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,LQZ,"2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide",CCN(CC)CC(=O)Nc1c(cccc1C)C,HSA,234.343
2140,4Z69,X-RAY DIFFRACTION,2015-04-04,2016-01-27,DIF,331000.0,Ki,nM,4Z69,14.0,2.187,experimental,10.1111/cbdd.12583,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,F15,PENTADECANOIC ACID,CCCCCCCCCCCCCCC(=O)O,HSA,242.40299999999993
2143,6EZQ,X-RAY DIFFRACTION,2017-11-16,2017-12-13,,,,,6EZQ,2.0,2.39,experimental,10.1002/anie.201710437,,Homo sapiens,Serum albumin,1.0,C7K,"12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid",c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O,HSA,378.429
2144,2VDB,X-RAY DIFFRACTION,2007-10-04,2008-02-26,,,,,2VDB,7.0,2.52,experimental,10.1107/S174430910706770X,,Homo sapiens,SERUM ALBUMIN,1.0,DKA,DECANOIC ACID,CCCCCCCCCC(=O)O,HSA,172.268
2146,7EEK,X-RAY DIFFRACTION,2021-03-18,2022-03-23,,,,,7EEK,14.0,2.5,experimental,10.1021/acs.jmedchem.1c00050,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,J2O,"11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine",Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N,HSA,405.23300000000006
2147,7EEK,X-RAY DIFFRACTION,2021-03-18,2022-03-23,,,,,7EEK,14.0,2.5,experimental,10.1021/acs.jmedchem.1c00050,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,PAM,PALMITOLEIC ACID,CCCCCCC=CCCCCCCCC(=O)O,HSA,254.4139999999999
2148,1E7E,X-RAY DIFFRACTION,2000-08-29,2000-11-06,,,,,1E7E,10.0,2.5,experimental,10.1006/JMBI.2000.4158,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,DKA,DECANOIC ACID,CCCCCCCCCC(=O)O,HSA,172.268
2149,4S1Y,X-RAY DIFFRACTION,2015-01-16,2015-04-29,,,,,4S1Y,5.0,3.16,experimental,10.1039/c5cc01751c,,Homo sapiens,Serum albumin,1.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
2150,4.00E+99,X-RAY DIFFRACTION,2012-03-20,2012-06-06,,,,,4.00E+99,2.0,2.3,experimental,10.1021/tx300112p,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,P8S,heptadecafluoro-1-octanesulfonic acid,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,HSA,500.1259999999999
2151,7WOK,X-RAY DIFFRACTION,2022-01-21,2022-07-20,,,,,7WOK,12.0,2.9,experimental,10.1016/j.ijbiomac.2022.06.181,Komagataella pastoris,Homo sapiens,Albumin,1.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
2153,3B9L,X-RAY DIFFRACTION,2007-11-05,2008-05-27,AZZ,44000.0,Kd,nM,3B9L,9.0,2.6,experimental,10.1016/j.jsb.2007.12.004,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2154,3B9L,X-RAY DIFFRACTION,2007-11-05,2008-05-27,AZZ,44000.0,Kd,nM,3B9L,9.0,2.6,experimental,10.1016/j.jsb.2007.12.004,,Homo sapiens,Serum albumin,1.0,AZZ,3'-azido-3'-deoxythymidine,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],HSA,267.245
2155,4L8U,X-RAY DIFFRACTION,2013-06-17,2013-07-24,,,,,4L8U,6.0,2.01,experimental,10.1016/j.bbagen.2013.06.032,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2156,4L8U,X-RAY DIFFRACTION,2013-06-17,2013-07-24,,,,,4L8U,6.0,2.01,experimental,10.1016/j.bbagen.2013.06.032,,Homo sapiens,Serum albumin,1.0,9AZ,"(2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid",CCC(C1=C(C(=O)N2Cc3cc4c(cccc4nc3C2=C1)N)CO)(C(=O)O)O,HSA,381.38800000000015
2157,1E7I,X-RAY DIFFRACTION,2000-08-29,2000-11-06,,,,,1E7I,7.0,2.7,experimental,10.1006/JMBI.2000.4158,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,STE,STEARIC ACID,CCCCCCCCCCCCCCCCCC(=O)O,HSA,284.4839999999999
2158,1GNJ,X-RAY DIFFRACTION,2001-10-05,2002-01-01,,,,,1GNJ,8.0,2.6,experimental,10.1006/JMBI.2000.5208,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
2159,2BXN,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXN,8.0,2.65,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2161,9UPD,X-RAY DIFFRACTION,2025-04-28,2025-07-16,,,,,9UPD,4.0,2.8,experimental,10.1021/acsmedchemlett.5c00277,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,A1L9H,(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoic acid,CC(C)C1CCC(CC1)C(=O)NC(Cc2ccccc2)C(=O)O,HSA,317.4290000000001
2163,2BXL,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXL,7.0,2.6,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2164,2BXL,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXL,7.0,2.6,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,DIU,"2-HYDROXY-3,5-DIIODO-BENZOIC ACID",c1c(cc(c(c1C(=O)O)O)I)I,HSA,389.914
2165,7WKZ,X-RAY DIFFRACTION,2022-01-12,2022-12-28,,,,,7WKZ,4.0,2.992,experimental,10.1021/acs.jmedchem.2c01790,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,9SC,"7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one",c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4,HSA,448.3940000000003
2166,7WKZ,X-RAY DIFFRACTION,2022-01-12,2022-12-28,,,,,7WKZ,4.0,2.992,experimental,10.1021/acs.jmedchem.2c01790,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,MOA,MYCOPHENOLIC ACID,Cc1c2c(c(c(c1OC)CC=C(C)CCC(=O)O)O)C(=O)OC2,HSA,320.34100000000007
2167,4LB9,X-RAY DIFFRACTION,2013-06-20,2013-07-24,,,,,4LB9,5.0,2.7,experimental,10.1016/j.bbagen.2013.06.032,,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2168,4LB9,X-RAY DIFFRACTION,2013-06-20,2013-07-24,,,,,4LB9,5.0,2.7,experimental,10.1016/j.bbagen.2013.06.032,,Homo sapiens,SERUM ALBUMIN,1.0,EVP,"(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol
-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside",CC1OCC2C(O1)C(C(C(O2)OC3c4cc5c(cc4C(C6C3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O,HSA,588.5620000000004
2169,1E7F,X-RAY DIFFRACTION,2000-08-29,2000-11-06,,,,,1E7F,8.0,2.43,experimental,10.1006/JMBI.2000.4158,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
2170,2BXO,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXO,8.0,2.6,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2171,2BXO,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXO,8.0,2.6,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,OPB,"4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE",CCCCC1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3,HSA,324.38000000000005
2172,5GIY,X-RAY DIFFRACTION,2016-06-25,2017-07-19,,,,,5GIY,8.0,2.543,experimental,,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2173,5GIY,X-RAY DIFFRACTION,2016-06-25,2017-07-19,,,,,5GIY,8.0,2.543,experimental,,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,7GE,pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-),c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl,HSA,396.47399999999993
2174,1HK3,X-RAY DIFFRACTION,2003-03-05,2003-05-16,,,,,1HK3,4.0,2.8,experimental,10.1073/PNAS.1137188100,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2177,1GNI,X-RAY DIFFRACTION,2001-10-05,2002-01-01,,,,,1GNI,7.0,2.4,experimental,10.1006/JMBI.2000.5208,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
2178,4IW1,X-RAY DIFFRACTION,2013-01-23,2013-04-24,,,,,4IW1,3.0,2.56,experimental,10.1074/jbc.M113.467027,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,FRU,beta-D-fructofuranose,C(C1C(C(C(O1)(CO)O)O)O)O,HSA,180.156
2180,4IW1,X-RAY DIFFRACTION,2013-01-23,2013-04-24,,,,,4IW1,3.0,2.56,experimental,10.1074/jbc.M113.467027,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,FUD,D-fructose,C(C(C(C(C(=O)CO)O)O)O)O,HSA,180.156
2181,2I2Z,X-RAY DIFFRACTION,2006-08-17,2006-12-12,SAL,5880.0,Ki,nM,2I2Z,6.0,2.7,experimental,10.1016/j.jsb.2006.08.015,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2184,2I30,X-RAY DIFFRACTION,2006-08-17,2006-12-12,SAL,5880.0,Ki,nM,2I30,7.0,2.9,experimental,10.1016/j.jsb.2006.08.015,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2185,1BKE,X-RAY DIFFRACTION,1998-07-06,1999-01-13,,,,,1BKE,7.0,3.15,experimental,10.1038/1869,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2186,1BKE,X-RAY DIFFRACTION,1998-07-06,1999-01-13,,,,,1BKE,7.0,3.15,experimental,10.1038/1869,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,B3I,"2,3,5-TRIIODOBENZOIC ACID",c1c(cc(c(c1C(=O)O)I)I)I,HSA,499.811
2187,1E7H,X-RAY DIFFRACTION,2000-08-29,2000-12-08,,,,,1E7H,7.0,2.43,experimental,10.1006/JMBI.2000.4158,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2188,4BKE,X-RAY DIFFRACTION,2013-04-24,2014-02-05,,,,,4BKE,7.0,2.35,experimental,10.1186/1472-6807-14-4,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2189,7VR9,X-RAY DIFFRACTION,2021-10-22,2022-02-16,,,,,7VR9,14.0,2.3,experimental,10.1021/acsomega.1c06220,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2190,7VR9,X-RAY DIFFRACTION,2021-10-22,2022-02-16,,,,,7VR9,14.0,2.3,experimental,10.1021/acsomega.1c06220,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,9SC,"7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one",c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4,HSA,448.3940000000003
2191,1H9Z,X-RAY DIFFRACTION,2001-03-23,2001-06-20,RWF,4677.0,Kd,nM,1H9Z,7.0,2.5,experimental,10.1074/JBC.M100575200,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2197,2BXI,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXI,7.0,2.5,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2198,2BXI,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXI,7.0,2.5,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,AZQ,AZAPROPAZONE,CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C,HSA,300.3620000000001
2199,9KQK,X-RAY DIFFRACTION,2024-11-26,2025-06-11,,,,,9KQK,1.0,3.05,experimental,10.1002/adma.202501849,Homo sapiens,Homo sapiens,Albumin,1.0,A1EGK,2-[[6-[5-[(~{E})-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]thiophen-2-yl]naphthalen-2-yl]-methyl-amino]ethanol,CN(CCO)c1ccc2cc(ccc2c1)c3ccc(s3)C=Cc4cc[n+](cc4)CCOCCOCCOC,HSA,533.7140000000003
2200,8RCO,X-RAY DIFFRACTION,2023-12-06,2024-06-26,,,,,8RCO,20.0,1.9,experimental,10.1016/j.jbc.2024.107358,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2202,8RCO,X-RAY DIFFRACTION,2023-12-06,2024-06-26,,,,,8RCO,20.0,1.9,experimental,10.1016/j.jbc.2024.107358,,Homo sapiens,Serum albumin,1.0,GOR,"6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid",c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-],HSA,311.249
2203,8RGL,X-RAY DIFFRACTION,2023-12-13,2024-06-26,,,,,8RGL,15.0,1.9,experimental,10.1016/j.jbc.2024.107358,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2205,8RGL,X-RAY DIFFRACTION,2023-12-13,2024-06-26,,,,,8RGL,15.0,1.9,experimental,10.1016/j.jbc.2024.107358,,Homo sapiens,Serum albumin,1.0,GOQ,"8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid",COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-],HSA,341.2750000000001
2206,9EOS,X-RAY DIFFRACTION,2024-03-15,2025-03-26,,,,,9EOS,8.0,2.1,experimental,,Escherichia coli,Homo sapiens,Albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2207,9EOS,X-RAY DIFFRACTION,2024-03-15,2025-03-26,,,,,9EOS,8.0,2.1,experimental,,Escherichia coli,Homo sapiens,Albumin,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
2208,9EOS,X-RAY DIFFRACTION,2024-03-15,2025-03-26,,,,,9EOS,8.0,2.1,experimental,,Escherichia coli,Homo sapiens,Albumin,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
2209,3TDL,X-RAY DIFFRACTION,2011-08-11,2012-06-27,,,,,3TDL,6.0,2.6,experimental,10.1002/pro.749,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2210,3TDL,X-RAY DIFFRACTION,2011-08-11,2012-06-27,,,,,3TDL,6.0,2.6,experimental,10.1002/pro.749,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,11D,11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O,HSA,434.6020000000005
2211,1E7G,X-RAY DIFFRACTION,2000-08-29,2000-11-06,,,,,1E7G,8.0,2.5,experimental,10.1006/JMBI.2000.4158,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2212,1HK2,X-RAY DIFFRACTION,2003-03-05,2003-05-16,,,,,1HK2,4.0,2.8,experimental,10.1073/PNAS.1137188100,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2213,3B9M,X-RAY DIFFRACTION,2007-11-05,2008-05-27,SAL,5880.0,Ki,nM,3B9M,9.0,2.7,experimental,10.1016/j.jsb.2007.12.004,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2216,3CX9,X-RAY DIFFRACTION,2008-04-24,2009-04-28,,,,,3CX9,6.0,2.8,experimental,10.1042/BJ20090913,,Homo sapiens,Serum albumin,1.0,LPX,(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O,HSA,453.5570000000002
2217,3CX9,X-RAY DIFFRACTION,2008-04-24,2009-04-28,,,,,3CX9,6.0,2.8,experimental,10.1042/BJ20090913,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2218,4IW2,X-RAY DIFFRACTION,2013-01-23,2013-04-24,,,,,4IW2,3.0,2.41,experimental,10.1074/jbc.M113.467027,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,GLO,D-glucose,C(C(C(C(C(C=O)O)O)O)O)O,HSA,180.156
2219,4IW2,X-RAY DIFFRACTION,2013-01-23,2013-04-24,,,,,4IW2,3.0,2.41,experimental,10.1074/jbc.M113.467027,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,GLC,alpha-D-glucopyranose,C(C1C(C(C(C(O1)O)O)O)O)O,HSA,180.156
2221,6XV0,X-RAY DIFFRACTION,2020-01-21,2020-03-18,,,,,6XV0,8.0,3,experimental,10.1021/acs.inorgchem.9b03407,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2223,6YG9,X-RAY DIFFRACTION,2020-03-27,2021-01-13,,,,,6YG9,7.0,1.89,experimental,10.1002/advs.202002997,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2224,6YG9,X-RAY DIFFRACTION,2020-03-27,2021-01-13,,,,,6YG9,7.0,1.89,experimental,10.1002/advs.202002997,,Homo sapiens,Serum albumin,1.0,OQ5,"20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid",CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O,HSA,817.0749999999991
2226,2BXM,X-RAY DIFFRACTION,2005-07-26,2005-09-22,IMN,120000.0,Kd,nM,2BXM,9.0,2.5,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2229,2BXP,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXP,8.0,2.3,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2230,2BXP,X-RAY DIFFRACTION,2005-07-26,2005-09-22,,,,,2BXP,8.0,2.3,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,P1Z,"4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE",CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,HSA,308.38100000000003
2233,6R7S,X-RAY DIFFRACTION,2019-03-29,2020-04-08,,,,,6R7S,6.0,2.21,experimental,10.1002/cmdc.202000069,,Homo sapiens,Serum albumin,1.0,SAS,2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3ccc(c(c3)C(=O)O)O,HSA,398.40000000000015
2234,9HNB,X-RAY DIFFRACTION,2024-12-10,2025-05-14,,,,,9HNB,3.0,3.9,experimental,10.1021/acs.inorgchem.4c05424,,Homo sapiens,Serum albumin,1.0,PT,PLATINUM (II) ION,[Pt+2],HSA,195.078
2235,1BJ5,X-RAY DIFFRACTION,1998-07-02,1998-11-04,,,,,1BJ5,5.0,2.5,experimental,10.1038/1869,Saccharomyces cerevisiae,Homo sapiens,HUMAN SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2236,1HK1,X-RAY DIFFRACTION,2003-03-05,2003-05-16,,,,,1HK1,4.0,2.65,experimental,10.1073/PNAS.1137188100,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2237,8J8E,X-RAY DIFFRACTION,2023-05-01,2024-05-01,,,,,8J8E,14.0,2.5,experimental,10.1021/acs.jmedchem.3c00248,Saccharomyces cerevisiae,Homo sapiens,Serum albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2238,8J8E,X-RAY DIFFRACTION,2023-05-01,2024-05-01,,,,,8J8E,14.0,2.5,experimental,10.1021/acs.jmedchem.3c00248,Saccharomyces cerevisiae,Homo sapiens,Serum albumin,1.0,U5U,"~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine",CN(C)C1=N[N]2=C(C3=CC=CC=[N]3[Pd]2S1)c4ccccc4,HSA,389.80000000000007
2239,8YXB,X-RAY DIFFRACTION,2024-04-02,2024-08-07,,,,,8YXB,13.0,2.2,experimental,10.1021/acs.jmedchem.4c00983,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,9F2,Ceftriaxone,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,HSA,554.5920000000003
2240,8YXB,X-RAY DIFFRACTION,2024-04-02,2024-08-07,,,,,8YXB,13.0,2.2,experimental,10.1021/acs.jmedchem.4c00983,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2241,8ITT,X-RAY DIFFRACTION,2023-03-22,2024-01-31,,,,,8ITT,12.0,3.03,experimental,10.1016/j.bpj.2023.09.007,Komagataella pastoris,Homo sapiens,Albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2242,8ITT,X-RAY DIFFRACTION,2023-03-22,2024-01-31,,,,,8ITT,12.0,3.03,experimental,10.1016/j.bpj.2023.09.007,Komagataella pastoris,Homo sapiens,Albumin,1.0,LPC,[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE,CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O,HSA,468.5920000000002
2243,8RCP,X-RAY DIFFRACTION,2023-12-06,2024-06-26,,,,,8RCP,18.0,1.9,experimental,10.1016/j.jbc.2024.107358,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2245,8RGK,X-RAY DIFFRACTION,2023-12-13,2024-06-26,,,,,8RGK,23.0,1.9,experimental,10.1016/j.jbc.2024.107358,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2247,8RGK,X-RAY DIFFRACTION,2023-12-13,2024-06-26,,,,,8RGK,23.0,1.9,experimental,10.1016/j.jbc.2024.107358,,Homo sapiens,Serum albumin,1.0,GOQ,"8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid",COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-],HSA,341.2750000000001
2248,1E7C,X-RAY DIFFRACTION,2000-08-26,2001-01-17,HLT,2900000.0,IC50,nM,1E7C,12.0,2.4,experimental,10.1074/JBC.M005460200,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2249,1E7C,X-RAY DIFFRACTION,2000-08-26,2001-01-17,HLT,2900000.0,IC50,nM,1E7C,12.0,2.4,experimental,10.1074/JBC.M005460200,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,HLT,"2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE",C(C(F)(F)F)(Cl)Br,HSA,197.381
2250,1HK5,X-RAY DIFFRACTION,2003-03-05,2003-05-16,,,,,1HK5,8.0,2.7,experimental,10.1073/PNAS.1137188100,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2251,1HK5,X-RAY DIFFRACTION,2003-03-05,2003-05-16,,,,,1HK5,8.0,2.7,experimental,10.1073/PNAS.1137188100,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2252,1N5U,X-RAY DIFFRACTION,2002-11-07,2003-06-24,,,,,1N5U,6.0,1.9,experimental,10.1006/bbrc.2002.6540,,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2253,1N5U,X-RAY DIFFRACTION,2002-11-07,2003-06-24,,,,,1N5U,6.0,1.9,experimental,10.1006/bbrc.2002.6540,,Homo sapiens,SERUM ALBUMIN,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
2254,2BXK,X-RAY DIFFRACTION,2005-07-26,2005-09-22,IMN,700.0,Kd,nM,2BXK,8.0,2.4,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2257,1O9X,X-RAY DIFFRACTION,2002-12-20,2003-03-13,,,,,1O9X,7.0,3.2,experimental,10.1186/1472-6807-3-6,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2258,1O9X,X-RAY DIFFRACTION,2002-12-20,2003-03-13,,,,,1O9X,7.0,3.2,experimental,10.1186/1472-6807-3-6,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
2259,2XVW,X-RAY DIFFRACTION,2010-10-28,2010-11-10,,,,,2XVW,8.0,2.65,experimental,10.1016/J.JSB.2010.10.004,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2260,2XVW,X-RAY DIFFRACTION,2010-10-28,2010-11-10,,,,,2XVW,8.0,2.65,experimental,10.1016/J.JSB.2010.10.004,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,9NR,DANSYL-L-ARGININE,CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCCNC(=N)N)C(=O)O,HSA,407.4960000000002
2262,8EY5,X-RAY DIFFRACTION,2022-10-26,2022-11-09,,,,,8EY5,14.0,3.1,experimental,10.1039/D3SC01723K,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2263,1HA2,X-RAY DIFFRACTION,2001-03-23,2001-06-20,,,,,1HA2,7.0,2.5,experimental,10.1074/JBC.M100575200,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2264,1HA2,X-RAY DIFFRACTION,2001-03-23,2001-06-20,,,,,1HA2,7.0,2.5,experimental,10.1074/JBC.M100575200,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,SWF,S-WARFARIN,CC(=O)CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O,HSA,308.333
2270,2XSI,X-RAY DIFFRACTION,2010-10-29,2010-11-10,,,,,2XSI,8.0,2.7,experimental,10.1016/J.JSB.2010.10.004,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2271,2XSI,X-RAY DIFFRACTION,2010-10-29,2010-11-10,,,,,2XSI,8.0,2.7,experimental,10.1016/J.JSB.2010.10.004,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,9NE,DANSYL-L-GLUTAMATE,CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCC(=O)O)C(=O)O,HSA,380.4220000000002
2272,2XVV,X-RAY DIFFRACTION,2010-10-28,2010-11-10,,,,,2XVV,8.0,2.4,experimental,10.1016/J.JSB.2010.10.004,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2273,2XVV,X-RAY DIFFRACTION,2010-10-28,2010-11-10,,,,,2XVV,8.0,2.4,experimental,10.1016/J.JSB.2010.10.004,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,9DN,DANSYL-L-ASPARAGINE,CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CC(=O)N)C(=O)O,HSA,365.4110000000002
2275,8EW7,X-RAY DIFFRACTION,2022-10-21,2022-11-09,,,,,8EW7,12.0,3.3,experimental,10.1039/D3SC01723K,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2276,9IK7,X-RAY DIFFRACTION,2024-06-26,2025-07-02,,,,,9IK7,4.0,1.97,experimental,,Komagataella pastoris,Homo sapiens,Albumin,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2277,8YXA,X-RAY DIFFRACTION,2024-04-02,2024-08-07,,,,,8YXA,7.0,2.5,experimental,10.1021/acs.jmedchem.4c00983,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,X56,Cefazolin,Cc1nnc(s1)SCC2=C(N3C(C(C3=O)NC(=O)Cn4cnnn4)SC2)C(=O)O,HSA,454.51900000000023
2278,8YXA,X-RAY DIFFRACTION,2024-04-02,2024-08-07,,,,,8YXA,7.0,2.5,experimental,10.1021/acs.jmedchem.4c00983,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2279,9EOD,X-RAY DIFFRACTION,2024-03-14,2025-03-26,,,,,9EOD,12.0,1.9,experimental,,Escherichia coli,Homo sapiens,Albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2280,9EOD,X-RAY DIFFRACTION,2024-03-14,2025-03-26,,,,,9EOD,12.0,1.9,experimental,,Escherichia coli,Homo sapiens,Albumin,1.0,A1H6A,adamantane-1-carboxylic acid,C1C2CC3CC1CC(C2)(C3)C(=O)O,HSA,180.24699999999999
2282,9EOD,X-RAY DIFFRACTION,2024-03-14,2025-03-26,,,,,9EOD,12.0,1.9,experimental,,Escherichia coli,Homo sapiens,Albumin,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
2283,9JGF,X-RAY DIFFRACTION,2024-09-06,2025-09-10,,,,,9JGF,26.0,2.2,experimental,,Homo sapiens,Homo sapiens,Albumin,1.0,9JT,N-phenyl-2-selanylbenzamide,c1ccc(cc1)NC(=O)c2ccccc2[SeH],HSA,276.19699999999995
2284,9JGF,X-RAY DIFFRACTION,2024-09-06,2025-09-10,,,,,9JGF,26.0,2.2,experimental,,Homo sapiens,Homo sapiens,Albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2286,1HK4,X-RAY DIFFRACTION,2003-03-05,2003-05-16,,,,,1HK4,8.0,2.4,experimental,10.1073/PNAS.1137188100,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2287,1HK4,X-RAY DIFFRACTION,2003-03-05,2003-05-16,,,,,1HK4,8.0,2.4,experimental,10.1073/PNAS.1137188100,Saccharomyces cerevisiae,Homo sapiens,SERUM ALBUMIN,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2289,9IK3,X-RAY DIFFRACTION,2024-06-26,2025-07-02,,,,,9IK3,4.0,2.31,experimental,,Komagataella pastoris,Homo sapiens,Albumin,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2290,7QFE,X-RAY DIFFRACTION,2021-12-05,2022-03-02,,,,,7QFE,13.0,2.2,experimental,10.3390/ijms23031769,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2291,7QFE,X-RAY DIFFRACTION,2021-12-05,2022-03-02,,,,,7QFE,13.0,2.2,experimental,10.3390/ijms23031769,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,4TX,"5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid",Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C,HSA,250.33799999999997
2292,7QFE,X-RAY DIFFRACTION,2021-12-05,2022-03-02,,,,,7QFE,13.0,2.2,experimental,10.3390/ijms23031769,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
2293,7QFE,X-RAY DIFFRACTION,2021-12-05,2022-03-02,,,,,7QFE,13.0,2.2,experimental,10.3390/ijms23031769,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
2296,8ITR,X-RAY DIFFRACTION,2023-03-22,2024-01-31,,,,,8ITR,6.0,2.44,experimental,10.1016/j.bpj.2023.09.007,Komagataella pastoris,Homo sapiens,Albumin,1.0,LPC,[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE,CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O,HSA,468.5920000000002
2299,8EW4,X-RAY DIFFRACTION,2022-10-21,2022-11-09,,,,,8EW4,14.0,2.4,experimental,10.1039/D3SC01723K,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2301,8ZPA,X-RAY DIFFRACTION,2024-05-29,2025-03-05,,,,,8ZPA,6.0,2.59,experimental,10.1016/j.biomaterials.2024.122792,,Homo sapiens,Albumin,1.0,STE,STEARIC ACID,CCCCCCCCCCCCCCCCCC(=O)O,HSA,284.4839999999999
2302,8ZPA,X-RAY DIFFRACTION,2024-05-29,2025-03-05,,,,,8ZPA,6.0,2.59,experimental,10.1016/j.biomaterials.2024.122792,,Homo sapiens,Albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2304,9IK6,X-RAY DIFFRACTION,2024-06-26,2025-07-02,,,,,9IK6,3.0,1.69,experimental,,Komagataella pastoris,Homo sapiens,Albumin,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2306,5IFO,X-RAY DIFFRACTION,2016-02-26,2016-06-01,,,,,5IFO,8.0,3.2,experimental,10.1021/acs.jmedchem.6b00600,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2307,7WZ9,X-RAY DIFFRACTION,2022-02-17,2023-02-22,,,,,7WZ9,7.0,2.83,experimental,10.1021/acs.jmedchem.1c01790,Escherichia coli,Homo sapiens,Serum albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2309,7Z57,X-RAY DIFFRACTION,2022-03-08,2022-10-12,,,,,7Z57,13.0,2.2,experimental,10.1021/acs.chemrestox.2c00211,Komagataella pastoris,Homo sapiens,Albumin,1.0,IGB,"(2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid",C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O,HSA,330.0489999999999
2311,7Z57,X-RAY DIFFRACTION,2022-03-08,2022-10-12,,,,,7Z57,13.0,2.2,experimental,10.1021/acs.chemrestox.2c00211,Komagataella pastoris,Homo sapiens,Albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2313,8YG7,X-RAY DIFFRACTION,2024-02-26,2025-03-12,,,,,8YG7,16.0,2.09,experimental,,Escherichia coli,Homo sapiens,Albumin,1.0,A1D6U,"~{N},~{N}-dimethyl-7-propan-2-yl-3-thia-5-aza-1,6-diazonia-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine",CC(C)C1=[N+]2N=C(S[Cu]2[n+]3c1cccc3)N(C)C,HSA,312.90900000000005
2314,8YG7,X-RAY DIFFRACTION,2024-02-26,2025-03-12,,,,,8YG7,16.0,2.09,experimental,,Escherichia coli,Homo sapiens,Albumin,1.0,IMN,INDOMETHACIN,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,HSA,357.7930000000001
2315,8YG7,X-RAY DIFFRACTION,2024-02-26,2025-03-12,,,,,8YG7,16.0,2.09,experimental,,Escherichia coli,Homo sapiens,Albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2316,1YSX,SOLUTION NMR,2005-02-09,2005-06-07,,,,,1YSX,1.0,,experimental,10.1038/nature03579,Escherichia coli BL21(DE3),Homo sapiens,Serum albumin,1.0,4EB,"4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE",Cc1ccc(c(c1)C)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F,HSA,579.6750000000003
2317,7AAI,X-RAY DIFFRACTION,2020-09-04,2021-02-24,,,,,7AAI,18.0,2.1,experimental,10.1002/pro.4036,Komagataella pastoris,Homo sapiens,Albumin,1.0,8PF,pentadecafluorooctanoic acid,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,HSA,414.06399999999985
2318,7AAI,X-RAY DIFFRACTION,2020-09-04,2021-02-24,,,,,7AAI,18.0,2.1,experimental,10.1002/pro.4036,Komagataella pastoris,Homo sapiens,Albumin,1.0,MPO,3[N-MORPHOLINO]PROPANE SULFONIC ACID,C1COCCN1CCCS(=O)(=O)O,HSA,209.267
2319,7AAI,X-RAY DIFFRACTION,2020-09-04,2021-02-24,,,,,7AAI,18.0,2.1,experimental,10.1002/pro.4036,Komagataella pastoris,Homo sapiens,Albumin,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
2320,7AAI,X-RAY DIFFRACTION,2020-09-04,2021-02-24,,,,,7AAI,18.0,2.1,experimental,10.1002/pro.4036,Komagataella pastoris,Homo sapiens,Albumin,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
2321,7AAI,X-RAY DIFFRACTION,2020-09-04,2021-02-24,,,,,7AAI,18.0,2.1,experimental,10.1002/pro.4036,Komagataella pastoris,Homo sapiens,Albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2324,2BXQ,X-RAY DIFFRACTION,2005-07-26,2005-09-22,IMN,120000.0,Kd,nM,2BXQ,9.0,2.6,experimental,10.1016/J.JMB.2005.07.075,Komagataella pastoris,Homo sapiens,SERUM ALBUMIN,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2327,7WOJ,X-RAY DIFFRACTION,2022-01-21,2022-07-20,,,,,7WOJ,15.0,2.89,experimental,10.1016/j.ijbiomac.2022.06.181,Komagataella pastoris,Homo sapiens,Albumin,1.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
2328,7WOJ,X-RAY DIFFRACTION,2022-01-21,2022-07-20,,,,,7WOJ,15.0,2.89,experimental,10.1016/j.ijbiomac.2022.06.181,Komagataella pastoris,Homo sapiens,Albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2329,8VAC,ELECTRON MICROSCOPY,2023-12-11,2024-06-26,,,,,8VAC,1.0,3.4,experimental,10.1016/j.jsb.2024.108105,Homo sapiens,Homo sapiens,Serum albumin,1.0,9TP,"(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol
-5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside",COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)OC6C(C(C7C(O6)COC(O7)c8cccs8)O)O)OCO4,HSA,656.6620000000005
2331,7DL4,X-RAY DIFFRACTION,2020-11-26,2021-12-01,,,,,7DL4,22.0,2.4,experimental,,Homo sapiens,Homo sapiens,Serum albumin,1.0,HZQ,5-chloranylquinolin-8-ol,c1cc2c(ccc(c2nc1)O)Cl,HSA,179.606
2336,7DL4,X-RAY DIFFRACTION,2020-11-26,2021-12-01,,,,,7DL4,22.0,2.4,experimental,,Homo sapiens,Homo sapiens,Serum albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2339,8CKS,X-RAY DIFFRACTION,2023-02-16,2023-03-01,,,,,8CKS,14.0,2.6,experimental,,,Homo sapiens,Serum albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2343,8ISM,X-RAY DIFFRACTION,2023-03-21,2024-03-27,,,,,8ISM,7.0,2.76,experimental,10.1021/acs.jmedchem.3c00001,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2344,8ISM,X-RAY DIFFRACTION,2023-03-21,2024-03-27,,,,,8ISM,7.0,2.76,experimental,10.1021/acs.jmedchem.3c00001,Pichia kudriavzevii,Homo sapiens,Serum albumin,1.0,ZJZ,"7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine",c1ccc2c(c1)C(=[N]3[Pt]2[S]=C(N3)N)c4cc(ccc4N)Cl,HSA,498.8760000000001
2346,7JWN,X-RAY DIFFRACTION,2020-08-25,2020-09-09,9KL,208000.0,Ki,nM,7JWN,9.0,2.6,experimental,10.1107/S2052252522006820,Komagataella pastoris,Homo sapiens,Albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2347,7JWN,X-RAY DIFFRACTION,2020-08-25,2020-09-09,9KL,208000.0,Ki,nM,7JWN,9.0,2.6,experimental,10.1107/S2052252522006820,Komagataella pastoris,Homo sapiens,Albumin,1.0,9KL,(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid,CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O,HSA,254.285
2349,7JWN,X-RAY DIFFRACTION,2020-08-25,2020-09-09,9KL,208000.0,Ki,nM,7JWN,9.0,2.6,experimental,10.1107/S2052252522006820,Komagataella pastoris,Homo sapiens,Albumin,1.0,JGE,(R)-Ketoprofen,CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O,HSA,254.285
2350,7Y2D,X-RAY DIFFRACTION,2022-06-09,2023-07-05,,,,,7Y2D,8.0,2,experimental,10.1021/acs.jmedchem.2c00698,Escherichia coli,Homo sapiens,Serum albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2351,7Y2D,X-RAY DIFFRACTION,2022-06-09,2023-07-05,,,,,7Y2D,8.0,2,experimental,10.1021/acs.jmedchem.2c00698,Escherichia coli,Homo sapiens,Serum albumin,1.0,IC4,"13-methoxy-~{N},~{N}-dimethyl-2-oxa-4-thia-6,7$l^{4}-diaza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaen-5-amine",CN(C)C1=N[N+]2=Cc3cccc(c3O[Cu-]2S1)OC,HSA,314.857
2353,8H0O,X-RAY DIFFRACTION,2022-09-30,2023-10-04,,,,,8H0O,13.0,2.479,experimental,,Homo sapiens,Homo sapiens,Albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2358,7AAE,X-RAY DIFFRACTION,2020-09-04,2021-02-24,,,,,7AAE,13.0,2.27,experimental,10.1002/pro.4036,Komagataella pastoris,Homo sapiens,Albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2362,9CSG,X-RAY DIFFRACTION,2024-07-23,2024-09-04,,,,,9CSG,7.0,1.914,experimental,10.1021/acs.jmedchem.4c01277,,Homo sapiens,Albumin,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2363,9CSG,X-RAY DIFFRACTION,2024-07-23,2024-09-04,,,,,9CSG,7.0,1.914,experimental,10.1021/acs.jmedchem.4c01277,,Homo sapiens,Albumin,1.0,A1AZR,2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid,CCCCc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)NC(=O)CCC(=O)Nc3ccc(c(c3)C(=O)O)NS(=O)(=O)c4ccc(cc4)CCOC,HSA,780.8780000000003
2365,5OKL,X-RAY DIFFRACTION,2017-07-25,2017-12-06,,,,,5OKL,5.0,2.09,experimental,10.1016/j.str.2017.10.006,Spodoptera frugiperda,Homo sapiens,Afamin,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
2366,5OKL,X-RAY DIFFRACTION,2017-07-25,2017-12-06,,,,,5OKL,5.0,2.09,experimental,10.1016/j.str.2017.10.006,Spodoptera frugiperda,Homo sapiens,Afamin,1.0,PAM,PALMITOLEIC ACID,CCCCCCC=CCCCCCCCC(=O)O,HSA,254.4139999999999
2368,7WLF,X-RAY DIFFRACTION,2022-01-13,2023-01-18,,,,,7WLF,34.0,2.4,experimental,,Homo sapiens,Homo sapiens,Serum albumin,1.0,9IZ,1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine,c1ccnc(c1)CN(Cc2ccccn2)Cc3cccc(n3)c4ccccn4,HSA,367.4560000000001
2370,7WLF,X-RAY DIFFRACTION,2022-01-13,2023-01-18,,,,,7WLF,34.0,2.4,experimental,,Homo sapiens,Homo sapiens,Serum albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2381,8K1Y,X-RAY DIFFRACTION,2023-07-11,2024-07-17,,,,,8K1Y,16.0,2.15,experimental,10.1093/mtomcs/mfae005,Homo sapiens,Homo sapiens,Albumin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2384,6RQ7,X-RAY DIFFRACTION,2019-05-15,2019-07-10,,,,,6RQ7,8.0,2.69,experimental,10.1107/S2059798319013500,Spodoptera frugiperda,Homo sapiens,Afamin,1.0,DO3,"10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID",CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O,HSA,404.4640000000001
2385,6RQ7,X-RAY DIFFRACTION,2019-05-15,2019-07-10,,,,,6RQ7,8.0,2.69,experimental,10.1107/S2059798319013500,Spodoptera frugiperda,Homo sapiens,Afamin,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
2386,6RQ7,X-RAY DIFFRACTION,2019-05-15,2019-07-10,,,,,6RQ7,8.0,2.69,experimental,10.1107/S2059798319013500,Spodoptera frugiperda,Homo sapiens,Afamin,1.0,GD,GADOLINIUM ATOM,[Gd],HSA,157.25
2395,6FAK,X-RAY DIFFRACTION,2017-12-15,2019-01-02,,,,,6FAK,18.0,1.9,experimental,10.1107/S2059798319013500,Spodoptera frugiperda,Homo sapiens,Afamin,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
2396,6FAK,X-RAY DIFFRACTION,2017-12-15,2019-01-02,,,,,6FAK,18.0,1.9,experimental,10.1107/S2059798319013500,Spodoptera frugiperda,Homo sapiens,Afamin,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
2397,6FAK,X-RAY DIFFRACTION,2017-12-15,2019-01-02,,,,,6FAK,18.0,1.9,experimental,10.1107/S2059798319013500,Spodoptera frugiperda,Homo sapiens,Afamin,1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,HSA,282.3329999999999
2401,6FAK,X-RAY DIFFRACTION,2017-12-15,2019-01-02,,,,,6FAK,18.0,1.9,experimental,10.1107/S2059798319013500,Spodoptera frugiperda,Homo sapiens,Afamin,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
2403,6FAK,X-RAY DIFFRACTION,2017-12-15,2019-01-02,,,,,6FAK,18.0,1.9,experimental,10.1107/S2059798319013500,Spodoptera frugiperda,Homo sapiens,Afamin,1.0,PG6,1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE,COCCOCCOCCOCCOCCOC,HSA,266.33399999999995
2408,8X1N,ELECTRON MICROSCOPY,2023-11-08,2024-05-15,,,,,8X1N,5.0,3.31,experimental,10.1038/s42003-024-06219-0,Homo sapiens,Homo sapiens,Alpha-fetoprotein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2434,6QIP,X-RAY DIFFRACTION,2019-01-21,2020-02-05,,,,,6QIP,4.0,2.45,experimental,10.1021/acs.biochem.0c00019,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,MES,2-(N-MORPHOLINO)-ETHANESULFONIC ACID,C1COCC[NH+]1CCS(=O)(=O)[O-],HSA,195.23999999999998
2438,6QIO,X-RAY DIFFRACTION,2019-01-21,2020-02-05,,,,,6QIO,4.0,1.95,experimental,10.1021/acs.biochem.0c00019,Komagataella pastoris,Homo sapiens,Serum albumin,1.0,MES,2-(N-MORPHOLINO)-ETHANESULFONIC ACID,C1COCC[NH+]1CCS(=O)(=O)[O-],HSA,195.23999999999998
2445,6LUR,X-RAY DIFFRACTION,2020-01-30,2020-04-29,,,,,6LUR,8.0,2,experimental,10.1007/s10858-020-00314-0,Escherichia coli,"Escherichia coli K-12, Homo sapiens","Thioredoxin 1,Poly(U)-binding-splicing factor PUF60",1.0,EVU,4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one,c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3,HSA,281.359
2447,8GXC,X-RAY DIFFRACTION,2022-09-19,2023-01-18,,,,,8GXC,18.0,2.5,experimental,10.1093/nar/gkac1227,Escherichia coli,Homo sapiens,U1 small nuclear ribonucleoprotein A,2.0,NMN,BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N,HSA,335.229
2449,1CVJ,X-RAY DIFFRACTION,1999-08-23,1999-10-04,,,,,1CVJ,8.0,2.6,experimental,10.1016/S0092-8674(00)81517-2,Escherichia coli,Homo sapiens,POLYADENYLATE BINDING PROTEIN 1,2.0,AMP,ADENOSINE MONOPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N,HSA,347.22400000000005
2453,8GXB,X-RAY DIFFRACTION,2022-09-19,2023-01-18,,,,,8GXB,21.0,2.15,experimental,10.1093/nar/gkac1227,Escherichia coli,Homo sapiens,U1 small nuclear ribonucleoprotein A,2.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
2456,4ZKA,X-RAY DIFFRACTION,2015-04-30,2016-06-29,,,,,4ZKA,12.0,1.8,experimental,,Escherichia coli BL21(DE3),Homo sapiens,RNA binding protein fox-1 homolog 1,1.0,MES,2-(N-MORPHOLINO)-ETHANESULFONIC ACID,C1COCC[NH+]1CCS(=O)(=O)[O-],HSA,195.23999999999998
2457,4ZKA,X-RAY DIFFRACTION,2015-04-30,2016-06-29,,,,,4ZKA,12.0,1.8,experimental,,Escherichia coli BL21(DE3),Homo sapiens,RNA binding protein fox-1 homolog 1,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
2464,3K0J,X-RAY DIFFRACTION,2009-09-24,2009-12-22,,,,,3K0J,10.0,3.1,experimental,10.1261/rna.1847310,,,RNA (87-MER),2.0,TPP,THIAMINE DIPHOSPHATE,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O,HSA,425.32000000000005
2466,7DWH,X-RAY DIFFRACTION,2021-01-17,2021-10-27,,,,,7DWH,4.0,3.1,experimental,10.1038/s41929-021-00685-z,,synthetic construct,RNA (45-MER),2.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
2468,2NZ4,X-RAY DIFFRACTION,2006-11-22,2007-01-16,,,,,2NZ4,20.0,2.498,experimental,10.1016/j.chembiol.2006.12.005,Escherichia coli BL21,Homo sapiens,U1 Small Nuclear Ribonucleoprotein A,3.0,GLP,2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose,C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O,HSA,259.15099999999995
2471,3G96,X-RAY DIFFRACTION,2009-02-12,2009-11-03,,,,,3G96,10.0,3.01,experimental,10.1021/bi802069p,,synthetic construct,GLMS RIBOZYME,3.0,6MN,2-amino-2-deoxy-6-O-phosphono-alpha-D-mannopyranose,C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O,HSA,259.15099999999995
2474,3L3C,X-RAY DIFFRACTION,2009-12-16,2009-12-29,,,,,3L3C,20.0,2.85,experimental,10.1021/bi802069p,,,GLMS RIBOZYME,3.0,G6P,6-O-phosphono-alpha-D-glucopyranose,C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O,HSA,260.135
2477,3G8T,X-RAY DIFFRACTION,2009-02-12,2009-11-03,,,,,3G8T,14.0,3,experimental,10.1021/bi802069p,,synthetic construct,glmS glucosamine-6-phosphate activated ribozyme,3.0,GLP,2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose,C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O,HSA,259.15099999999995
2485,3G9C,X-RAY DIFFRACTION,2009-02-13,2009-11-03,,,,,3G9C,4.0,2.9,experimental,10.1021/bi802069p,,synthetic construct,GLMS RIBOZYME,3.0,GLP,2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose,C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O,HSA,259.15099999999995
2495,6SLO,X-RAY DIFFRACTION,2019-08-20,2020-09-09,,,,,6SLO,4.0,1.94,experimental,10.1038/s41467-020-19514-1,Escherichia coli BL21(DE3),"Citrobacter freundii MGH 56, Homo sapiens","Thioredoxin,Poly(U)-binding-splicing factor PUF60",1.0,LJT,"2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol",COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl,HSA,464.0310000000004
2497,6LAZ,X-RAY DIFFRACTION,2019-11-13,2020-01-01,,,,,6LAZ,3.0,2.76,experimental,10.1038/s41467-019-13600-9,,Bifidobacterium angulatum,RNA (55-MER),1.0,E7X,"(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate",c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O)[O-])[NH3+])CCO)O)O)N,HSA,411.41900000000015
2501,1NU9,X-RAY DIFFRACTION,2003-01-31,2003-10-07,,,,,1NU9,12.0,2.2,experimental,10.1038/nature01962,Escherichia coli BL21,Staphylococcus aureus,Staphylocoagulase,2.0,0ZJ,"N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide",c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NC(CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS,HSA,528.0990000000003
2510,8JY0,X-RAY DIFFRACTION,2023-07-02,2024-05-29,,,,,8JY0,12.0,2.75,experimental,10.1038/s41467-024-48478-9,in vitro transcription vector pT7-TP(deltai),artificial sequences,RhoBAST,2.0,V7U,"2,4-dinitroaniline",c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N,HSA,183.12299999999996
2515,6LAS,X-RAY DIFFRACTION,2019-11-13,2020-01-01,,,,,6LAS,2.0,2.708,experimental,10.1038/s41467-019-13600-9,,Bifidobacterium angulatum,RNA (55-MER),1.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
2517,6LAX,X-RAY DIFFRACTION,2019-11-13,2020-01-01,,,,,6LAX,2.0,2.7,experimental,10.1038/s41467-019-13600-9,Escherichia coli,Homo sapiens,U1 small nuclear ribonucleoprotein A,2.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
2519,6LAU,X-RAY DIFFRACTION,2019-11-13,2020-01-01,,,,,6LAU,4.0,3.109,experimental,10.1038/s41467-019-13600-9,Escherichia coli,Homo sapiens,U1 small nuclear ribonucleoprotein A,2.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
2533,2GH0,X-RAY DIFFRACTION,2006-03-24,2006-06-27,,,,,2GH0,1.0,1.92,experimental,10.1016/j.str.2006.05.010,Trichoplusia ni,Homo sapiens,artemin,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
2536,3IWN,X-RAY DIFFRACTION,2009-09-02,2009-11-10,,,,,3IWN,2.0,3.2,experimental,10.1038/nsmb.1701,Escherichia coli,Homo sapiens,U1 small nuclear ribonucleoprotein A,2.0,C2E,"9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,HSA,690.4159999999999
2559,6JWE,SOLUTION NMR,2019-04-20,2020-02-26,,,,,6JWE,1.0,,experimental,10.1039/d0cc00221f,,Homo sapiens,DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'),1.0,LOC,"N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide",CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,HSA,399.44300000000015
2568,1YW9,X-RAY DIFFRACTION,2005-02-17,2006-02-21,A84,19.0,IC50,nM,1YW9,3.0,1.64,experimental,10.1021/jm0601001,Escherichia coli,Homo sapiens,Methionine aminopeptidase 2,1.0,A84,"2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID",CN(C)CC=Cc1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)F,HSA,432.5170000000003
2582,6Q2R,ELECTRON MICROSCOPY,2019-08-08,2019-10-02,,,,,6Q2R,40.0,4.3,experimental,10.7554/eLife.47650,Escherichia coli,Homo sapiens,Neurturin,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
2585,9INF,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INF,18.0,3.36,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2586,9INF,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INF,18.0,3.36,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
2587,9INF,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INF,18.0,3.36,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,3PE,"1,2-Distearoyl-sn-glycerophosphoethanolamine",CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,HSA,748.0799999999991
2588,9INF,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INF,18.0,3.36,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
2589,6KN4,SOLUTION NMR,2019-08-03,2020-03-18,,,,,6KN4,2.0,,experimental,10.1080/07391102.2020.1730969,,Homo sapiens,DNA (5'-D(*TP*TP*AP*GP*GP*GP*T)-3'),1.0,DM2,DOXORUBICIN,CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,HSA,543.5250000000003
2592,7ZNJ,ELECTRON MICROSCOPY,2022-04-21,2023-04-12,,,,,7ZNJ,12.0,2.4,experimental,10.1038/s41586-023-05904-0,Escherichia coli,Homo sapiens,"Eukaryotic initiation factor 4A-III, N-terminally processed",1.0,ANP,PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N,HSA,506.1980000000001
2597,5W78,X-RAY DIFFRACTION,2017-06-19,2018-01-03,,,,,5W78,6.0,2.271,experimental,10.1073/pnas.1719834115,Spodoptera frugiperda,Homo sapiens,Acyloxyacyl hydrolase,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2601,7NWU,X-RAY DIFFRACTION,2021-03-17,2022-07-20,,,,,7NWU,3.0,2.6,experimental,10.1093/nar/gkac421,Escherichia coli BL21(DE3),Homo sapiens,Regulator of nonsense transcripts 2,2.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
2608,6HIP,X-RAY DIFFRACTION,2018-08-30,2019-03-27,,,,,6HIP,2.0,1.2,experimental,10.1093/nar/gkz185,Escherichia coli,Homo sapiens,Splicing factor 45,1.0,TRP,TRYPTOPHAN,c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N,HSA,204.22899999999996
2611,9INH,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INH,34.0,3.68,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
2612,9INH,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INH,34.0,3.68,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,3PE,"1,2-Distearoyl-sn-glycerophosphoethanolamine",CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,HSA,748.0799999999991
2613,9INH,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INH,34.0,3.68,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2614,9INH,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INH,34.0,3.68,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
2616,9INH,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INH,34.0,3.68,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
2617,9IUC,ELECTRON MICROSCOPY,2024-07-20,2025-04-02,,,,,9IUC,26.0,3.8,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
2618,9IUC,ELECTRON MICROSCOPY,2024-07-20,2025-04-02,,,,,9IUC,26.0,3.8,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
2619,9IUC,ELECTRON MICROSCOPY,2024-07-20,2025-04-02,,,,,9IUC,26.0,3.8,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,3PE,"1,2-Distearoyl-sn-glycerophosphoethanolamine",CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,HSA,748.0799999999991
2620,9IUC,ELECTRON MICROSCOPY,2024-07-20,2025-04-02,,,,,9IUC,26.0,3.8,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2621,9IUC,ELECTRON MICROSCOPY,2024-07-20,2025-04-02,,,,,9IUC,26.0,3.8,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
2623,9VA0,SOLUTION NMR,2025-06-02,2026-02-11,,,,,9VA0,3.0,,experimental,,,Homo sapiens,DNA (5'-D(*AP*AP*TP*GP*GP*GP*AP*GP*GP*GP*TP*CP*TP*GP*GP*GP*AP*GP*GP*GP*CP*C)-3'),1.0,CP0,"(4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE",CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7,HSA,586.6890000000001
2625,9INE,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INE,26.0,3.32,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
2626,9INE,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INE,26.0,3.32,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,3PE,"1,2-Distearoyl-sn-glycerophosphoethanolamine",CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,HSA,748.0799999999991
2627,9INE,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INE,26.0,3.32,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,LPE,1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE,CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)O,HSA,510.7170000000002
2628,9INE,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INE,26.0,3.32,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2629,9INE,ELECTRON MICROSCOPY,2024-07-06,2025-04-02,,,,,9INE,26.0,3.32,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
2631,7RE8,X-RAY DIFFRACTION,2021-07-12,2022-07-27,,,,,7RE8,18.0,2.82,experimental,10.1038/s41598-022-15946-5,,Homo sapiens,PHE-MET-ASN-LYS-PHE-ILE-TYR-GLU-ILE,3.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
2637,3MZW,X-RAY DIFFRACTION,2010-05-13,2010-07-28,,,,,3MZW,2.0,2.9,experimental,10.1073/pnas.1005025107,,Staphylococcus aureus,Immunoglobulin G-binding protein A,2.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
2639,5CR1,X-RAY DIFFRACTION,2015-07-22,2015-10-21,,,,,5CR1,2.0,1.545,experimental,10.1074/jbc.M115.690172,Escherichia coli BL21(DE3),Homo sapiens,Transthyretin,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2640,5CR1,X-RAY DIFFRACTION,2015-07-22,2015-10-21,,,,,5CR1,2.0,1.545,experimental,10.1074/jbc.M115.690172,Escherichia coli BL21(DE3),Homo sapiens,Transthyretin,1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
2641,1NU7,X-RAY DIFFRACTION,2003-01-31,2003-10-07,,,,,1NU7,12.0,2.2,experimental,10.1038/nature01962,Escherichia coli BL21,Staphylococcus aureus,Staphylocoagulase,3.0,0ZJ,"N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide",c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NC(CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS,HSA,528.0990000000003
2644,2B9E,X-RAY DIFFRACTION,2005-10-11,2005-10-18,,,,,2B9E,1.0,1.65,experimental,,Escherichia coli,Homo sapiens,"NOL1/NOP2/Sun domain family, member 5 isoform 2",1.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
2650,6IRW,X-RAY DIFFRACTION,2018-11-14,2018-12-05,,,,,6IRW,2.0,2.9,experimental,10.1126/science.aav0080,Escherichia coli BL21(DE3),Homo sapiens,Phosphorylated CTD-interacting factor 1,1.0,SAH,S-ADENOSYL-L-HOMOCYSTEINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N,HSA,384.4180000000001
2659,5.00E+84,X-RAY DIFFRACTION,2015-10-13,2016-01-27,,,,,5.00E+84,42.0,2.99,experimental,10.1016/j.str.2015.10.012,Escherichia coli BL21,Homo sapiens,78 kDa glucose-regulated protein,1.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
2663,7RE7,X-RAY DIFFRACTION,2021-07-12,2022-07-27,,,,,7RE7,19.0,2.547,experimental,10.1038/s41598-022-15946-5,,Homo sapiens,PHE-MET-ASN-LYS-PHE-ILE-TYR-GLU-ILE,5.0,EPE,4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID,C1CN(CCN1CCO)CCS(=O)(=O)O,HSA,238.309
2670,2AF9,X-RAY DIFFRACTION,2005-07-25,2005-10-25,,,,,2AF9,6.0,2,experimental,10.1021/bi050668w,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
2671,2AF9,X-RAY DIFFRACTION,2005-07-25,2005-10-25,,,,,2AF9,6.0,2,experimental,10.1021/bi050668w,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2672,2AF9,X-RAY DIFFRACTION,2005-07-25,2005-10-25,,,,,2AF9,6.0,2,experimental,10.1021/bi050668w,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
2674,3LPY,X-RAY DIFFRACTION,2010-02-07,2010-07-07,,,,,3LPY,6.0,2,experimental,10.1016/j.cell.2010.05.016,Escherichia coli,Homo sapiens,Peptidyl-prolyl cis-trans isomerase E,1.0,EPE,4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID,C1CN(CCN1CCO)CCS(=O)(=O)O,HSA,238.309
2676,1ICT,X-RAY DIFFRACTION,2001-04-02,2002-04-03,T44,2188.0,IC50,nM,1ICT,2.0,3,experimental,10.1107/S0907444901006047,,Homo sapiens,TRANSTHYRETIN,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2681,1PBK,X-RAY DIFFRACTION,1995-09-01,1996-10-14,,,,,1PBK,1.0,2.5,experimental,,Escherichia coli,Homo sapiens,FKBP25,1.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
2684,5OO6,X-RAY DIFFRACTION,2017-08-06,2017-11-15,,,,,5OO6,8.0,2.8,experimental,10.1038/s41467-017-01402-w,Escherichia coli,Homo sapiens,Serrate RNA effector molecule homolog,3.0,MGT,7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE,CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,HSA,539.2240000000002
2689,6UUH,X-RAY DIFFRACTION,2019-10-30,2020-09-23,,,,,6UUH,1.0,2.7,experimental,10.1126/sciadv.abb1328,Homo sapiens,Streptococcus sp. 'group G,Immunoglobulin G-binding protein G,3.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
2692,4TJZ,X-RAY DIFFRACTION,2014-05-25,2015-01-28,,,,,4TJZ,3.0,0.87,experimental,10.1002/anie.201409830,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, heart",1.0,DKA,DECANOIC ACID,CCCCCCCCCC(=O)O,HSA,172.268
2693,4TJZ,X-RAY DIFFRACTION,2014-05-25,2015-01-28,,,,,4TJZ,3.0,0.87,experimental,10.1002/anie.201409830,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, heart",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,HSA,282.3329999999999
2697,7FG5,X-RAY DIFFRACTION,2021-07-26,2022-07-27,,,,,7FG5,1.0,1.3,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,DKA,DECANOIC ACID,CCCCCCCCCC(=O)O,HSA,172.268
2698,5D75,X-RAY DIFFRACTION,2015-08-13,2016-04-06,,,,,5D75,3.0,1.83,experimental,10.1002/pro.2875,Escherichia coli BL21,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP3,1.0,FK5,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,HSA,804.0310000000002
2699,5D75,X-RAY DIFFRACTION,2015-08-13,2016-04-06,,,,,5D75,3.0,1.83,experimental,10.1002/pro.2875,Escherichia coli BL21,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP3,1.0,JEF,O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500),CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOC)N,HSA,597.8310000000001
2705,4NNR,X-RAY DIFFRACTION,2013-11-18,2014-02-05,,,,,4NNR,2.0,1.98,experimental,10.1021/ja00086a055,Escherichia coli,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP2,1.0,FK5,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,HSA,804.0310000000002
2707,7V75,ELECTRON MICROSCOPY,2021-08-21,2022-08-31,,,,,7V75,11.0,3.57,experimental,10.1038/s41467-022-34017-x,Homo sapiens,Homo sapiens,prestin,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
2708,7V75,ELECTRON MICROSCOPY,2021-08-21,2022-08-31,,,,,7V75,11.0,3.57,experimental,10.1038/s41467-022-34017-x,Homo sapiens,Homo sapiens,prestin,1.0,LBN,1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,760.0909999999993
2709,8XGF,ELECTRON MICROSCOPY,2023-12-15,2024-11-06,,,,,8XGF,96.0,2.95,experimental,10.1038/s41467-024-53587-6,Spodoptera frugiperda,Homo sapiens,Gap junction delta-2 protein,1.0,MC3,"1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE",CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,HSA,677.9449999999996
2710,8XGF,ELECTRON MICROSCOPY,2023-12-15,2024-11-06,,,,,8XGF,96.0,2.95,experimental,10.1038/s41467-024-53587-6,Spodoptera frugiperda,Homo sapiens,Gap junction delta-2 protein,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
2711,8Z7T,ELECTRON MICROSCOPY,2024-04-21,2025-01-08,,,,,8Z7T,1.0,3.39,experimental,10.1038/s41467-024-55359-8,Spodoptera frugiperda,Homo sapiens,Thiamine transporter 2,1.0,UEG,"4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol",Cc1c(c(c(cn1)CO)CO)O,HSA,169.17999999999998
2717,5ACL,X-RAY DIFFRACTION,2015-08-17,2015-12-02,,,,,5ACL,2.0,1.49,experimental,10.7554/eLife.10935,Escherichia coli BL21(DE3),Homo sapiens,MCG,1.0,SAS,2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3ccc(c(c3)C(=O)O)O,HSA,398.40000000000015
2719,7FY1,X-RAY DIFFRACTION,2023-04-27,2023-06-14,,,,,7FY1,1.0,2.01,experimental,10.1107/S2059798325006096,Escherichia coli BL21(DE3),Homo sapiens,Fatty acid-binding protein 9,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2721,2AG2,X-RAY DIFFRACTION,2005-07-26,2005-10-25,,,,,2AG2,26.0,2,experimental,10.1021/bi050668w,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,LP3,"(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE",CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O,HSA,524.7000000000003
2722,2AG2,X-RAY DIFFRACTION,2005-07-26,2005-10-25,,,,,2AG2,26.0,2,experimental,10.1021/bi050668w,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
2723,2AG2,X-RAY DIFFRACTION,2005-07-26,2005-10-25,,,,,2AG2,26.0,2,experimental,10.1021/bi050668w,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
2724,2AG2,X-RAY DIFFRACTION,2005-07-26,2005-10-25,,,,,2AG2,26.0,2,experimental,10.1021/bi050668w,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
2725,2AG2,X-RAY DIFFRACTION,2005-07-26,2005-10-25,,,,,2AG2,26.0,2,experimental,10.1021/bi050668w,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,CH5,"2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM",C[N+](C)(C)CCOP(=O)(O)OCC(CO)O,HSA,258.23099999999994
2727,2AG2,X-RAY DIFFRACTION,2005-07-26,2005-10-25,,,,,2AG2,26.0,2,experimental,10.1021/bi050668w,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,EPE,4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID,C1CN(CCN1CCO)CCS(=O)(=O)O,HSA,238.309
2729,1SJF,X-RAY DIFFRACTION,2004-03-03,2004-05-18,,,,,1SJF,2.0,2.75,experimental,10.1038/nature02522,Escherichia coli,Homo sapiens,U1 small nuclear ribonucleoprotein A,2.0,NCO,COBALT HEXAMMINE(III),[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],HSA,161.11900000000003
2735,2EVD,X-RAY DIFFRACTION,2005-10-31,2006-11-14,,,,,2EVD,4.0,2,experimental,10.1371/journal.pbio.0040362,Escherichia coli,Homo sapiens,Glycolipid transfer protein,1.0,SPH,SPHINGOSINE,CCCCCCCCCCCCCC=CC(C(CO)N)O,HSA,299.49899999999997
2736,2EVD,X-RAY DIFFRACTION,2005-10-31,2006-11-14,,,,,2EVD,4.0,2,experimental,10.1371/journal.pbio.0040362,Escherichia coli,Homo sapiens,Glycolipid transfer protein,1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
2739,4D6B,X-RAY DIFFRACTION,2014-11-10,2015-05-20,,,,,4D6B,7.0,2.116,experimental,10.1371/JOURNAL.PONE.0128954,Escherichia coli,Homo sapiens,MYELIN P2 PROTEIN,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2741,5ALB,X-RAY DIFFRACTION,2015-03-07,2015-04-01,,,,,5ALB,1.0,2.16,experimental,10.1182/BLOOD-2015-01-622928,Cricetulus griseus,Homo sapiens,MEDI2452 LIGHT CHAIN,2.0,TIQ,Ticagrelor,CCCSc1nc(c2c(n1)n(nn2)C3CC(C(C3O)O)OCCO)NC4CC4c5ccc(c(c5)F)F,HSA,522.5780000000003
2744,6EW2,X-RAY DIFFRACTION,2017-11-03,2018-07-11,,,,,6EW2,2.0,1.588,experimental,10.1186/s12900-018-0087-2,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2745,7NRW,X-RAY DIFFRACTION,2021-03-04,2021-09-01,,,,,7NRW,4.0,2,experimental,10.1111/febs.16079,Escherichia coli BL21(DE3),Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2748,8Z7X,ELECTRON MICROSCOPY,2024-04-21,2025-01-08,,,,,8Z7X,1.0,3.36,experimental,10.1038/s41467-024-55359-8,Homo sapiens,Homo sapiens,Thiamine transporter 2,1.0,VIB,3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,HSA,265.36199999999997
2751,2OIH,X-RAY DIFFRACTION,2007-01-11,2007-03-27,,,,,2OIH,15.0,2.4,experimental,10.1016/j.str.2007.01.017,Escherichia coli BL21(DE3),Homo sapiens,U1 small nuclear ribonucleoprotein A,2.0,TL,THALLIUM (I) ION,[Tl+],HSA,204.383
2764,6EW4,X-RAY DIFFRACTION,2017-11-03,2018-07-11,,,,,6EW4,1.0,1.271,experimental,10.1186/s12900-018-0087-2,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2765,6XUW,X-RAY DIFFRACTION,2020-01-21,2020-04-08,,,,,6XUW,2.0,2.31,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2767,6XW9,X-RAY DIFFRACTION,2020-01-23,2020-04-08,,,,,6XW9,2.0,2.9,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2770,7NSR,X-RAY DIFFRACTION,2021-03-08,2021-09-01,,,,,7NSR,4.0,1.5,experimental,10.1111/febs.16079,Escherichia coli BL21(DE3),Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2772,7NTP,X-RAY DIFFRACTION,2021-03-10,2021-09-01,,,,,7NTP,2.0,2.1,experimental,10.1111/febs.16079,Escherichia coli BL21(DE3),Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2773,8Z7S,ELECTRON MICROSCOPY,2024-04-21,2025-01-08,,,,,8Z7S,1.0,3.05,experimental,10.1038/s41467-024-55359-8,Spodoptera frugiperda,Homo sapiens,Thiamine transporter 2,1.0,VIB,3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,HSA,265.36199999999997
2774,8Z80,ELECTRON MICROSCOPY,2024-04-21,2025-01-08,,,,,8Z80,1.0,3.7,experimental,10.1038/s41467-024-55359-8,Homo sapiens,Homo sapiens,Thiamine transporter 1,1.0,UEG,"4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol",Cc1c(c(c(cn1)CO)CO)O,HSA,169.17999999999998
2780,5ALC,X-RAY DIFFRACTION,2015-03-07,2015-04-01,,,,,5ALC,1.0,1.7,experimental,10.1182/BLOOD-2015-01-622928,Cricetulus griseus,Homo sapiens,"ANTI-TICAGRELOR FAB 72, LIGHT CHAIN",2.0,TIQ,Ticagrelor,CCCSc1nc(c2c(n1)n(nn2)C3CC(C(C3O)O)OCCO)NC4CC4c5ccc(c(c5)F)F,HSA,522.5780000000003
2782,6S2M,X-RAY DIFFRACTION,2019-06-21,2019-08-28,,,,,6S2M,2.0,0.72,experimental,10.3390/molecules24173044,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2783,6S2M,X-RAY DIFFRACTION,2019-06-21,2019-08-28,,,,,6S2M,2.0,0.72,experimental,10.3390/molecules24173044,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,VCA,VACCENIC ACID,CCCCCCC=CCCCCCCCCCC(=O)O,HSA,282.4679999999999
2784,8TFQ,X-RAY DIFFRACTION,2023-07-11,2023-08-16,,,,,8TFQ,2.0,1.8,experimental,10.1021/acschemneuro.3c00455,Homo sapiens,Homo sapiens,Heavy chain from Fab of C10_S66K antibody,2.0,7V7,N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide,CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3,HSA,336.479
2787,9DY4,X-RAY DIFFRACTION,2024-10-13,2025-09-24,,,,,9DY4,4.0,2.39,experimental,10.1126/sciadv.adx7687,Escherichia coli,Homo sapiens,2-aminoethanethiol dioxygenase,1.0,HLZ,1-hydrazinophthalazine,c1ccc2c(c1)cnnc2NN,HSA,160.18
2789,8JEW,ELECTRON MICROSCOPY,2023-05-16,2024-05-22,,,,,8JEW,10.0,2.49,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,ASC,ASCORBIC ACID,C(C(C1C(=C(C(=O)O1)O)O)O)O,HSA,176.124
2792,8JEW,ELECTRON MICROSCOPY,2023-05-16,2024-05-22,,,,,8JEW,10.0,2.49,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,LBN,1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,760.0909999999993
2793,8JEW,ELECTRON MICROSCOPY,2023-05-16,2024-05-22,,,,,8JEW,10.0,2.49,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
2794,8JEW,ELECTRON MICROSCOPY,2023-05-16,2024-05-22,,,,,8JEW,10.0,2.49,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
2795,8JEW,ELECTRON MICROSCOPY,2023-05-16,2024-05-22,,,,,8JEW,10.0,2.49,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2797,2CEO,X-RAY DIFFRACTION,2006-02-08,2006-08-14,,,,,2CEO,4.0,2.8,experimental,10.1073/PNAS.0604080103,Escherichia coli BL21(DE3),Homo sapiens,THYROXINE-BINDING GLOBULIN,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2800,2WUT,X-RAY DIFFRACTION,2009-10-09,2010-05-12,,,,,2WUT,3.0,1.85,experimental,10.1371/JOURNAL.PONE.0010300,Escherichia coli,Homo sapiens,MYELIN P2 PROTEIN,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2801,3KDM,X-RAY DIFFRACTION,2009-10-23,2010-05-26,,,,,3KDM,2.0,1.5,experimental,10.1002/jmr.1039,Escherichia coli,Homo sapiens,Immunoglobulin heavy chain,2.0,TES,TESTOSTERONE,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,HSA,288.43100000000004
2805,4A1Y,X-RAY DIFFRACTION,2011-09-20,2012-10-10,,,,,4A1Y,7.0,1.2,experimental,,Escherichia coli BL21(DE3),Homo sapiens,MYELIN P2 PROTEIN,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2807,4PFJ,X-RAY DIFFRACTION,2014-04-29,2014-10-01,,,,,4PFJ,4.0,2.3,experimental,10.1074/jbc.M114.597153,Escherichia coli,Homo sapiens,Adenosylhomocysteinase,1.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
2808,4PFJ,X-RAY DIFFRACTION,2014-04-29,2014-10-01,,,,,4PFJ,4.0,2.3,experimental,10.1074/jbc.M114.597153,Escherichia coli,Homo sapiens,Adenosylhomocysteinase,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
2811,5N4P,X-RAY DIFFRACTION,2017-02-11,2017-08-09,,,,,5N4P,3.0,1.533,experimental,10.1038/s41598-017-06781-0,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2813,5N4P,X-RAY DIFFRACTION,2017-02-11,2017-08-09,,,,,5N4P,3.0,1.533,experimental,10.1038/s41598-017-06781-0,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,VCA,VACCENIC ACID,CCCCCCC=CCCCCCCCCCC(=O)O,HSA,282.4679999999999
2814,6.00E+70,X-RAY DIFFRACTION,2018-07-25,2019-07-31,,,,,6.00E+70,4.0,1.992,experimental,,Escherichia coli,Homo sapiens,Transthyretin,1.0,1FL,"5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID",c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,HSA,250.19999999999996
2817,6XVR,X-RAY DIFFRACTION,2020-01-22,2020-04-08,,,,,6XVR,4.0,2,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2818,2OJ3,X-RAY DIFFRACTION,2007-01-12,2007-03-27,,,,,2OJ3,11.0,2.9,experimental,10.1016/j.str.2007.01.017,Escherichia coli BL21(DE3),Homo sapiens,U1 small nuclear ribonucleoprotein A,2.0,NCO,COBALT HEXAMMINE(III),[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],HSA,161.11900000000003
2828,4A8Z,X-RAY DIFFRACTION,2011-11-22,2012-12-05,,,,,4A8Z,8.0,1.801,experimental,,Escherichia coli BL21(DE3),Homo sapiens,MYELIN P2 PROTEIN,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2829,5N4M,X-RAY DIFFRACTION,2017-02-11,2017-08-09,,,,,5N4M,3.0,1.59,experimental,10.1038/s41598-017-06781-0,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2830,5N4M,X-RAY DIFFRACTION,2017-02-11,2017-08-09,,,,,5N4M,3.0,1.59,experimental,10.1038/s41598-017-06781-0,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,VCA,VACCENIC ACID,CCCCCCC=CCCCCCCCCCC(=O)O,HSA,282.4679999999999
2832,6.00E+78,X-RAY DIFFRACTION,2018-07-25,2019-07-31,,,,,6.00E+78,2.0,1.499,experimental,,Escherichia coli,Homo sapiens,Transthyretin,1.0,1FL,"5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID",c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,HSA,250.19999999999996
2833,6STS,X-RAY DIFFRACTION,2019-09-11,2020-04-08,,,,,6STS,7.0,3,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2835,8Z7Z,ELECTRON MICROSCOPY,2024-04-21,2025-01-08,,,,,8Z7Z,1.0,3.23,experimental,10.1038/s41467-024-55359-8,Homo sapiens,Homo sapiens,Thiamine transporter 1,1.0,VIB,3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,HSA,265.36199999999997
2837,9J22,ELECTRON MICROSCOPY,2024-08-06,2025-09-03,,,,,9J22,27.0,2.75,experimental,10.1016/j.jbc.2024.108127,Baculoviridae sp.,Homo sapiens,Urea transporter 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2840,2ROY,X-RAY DIFFRACTION,1996-10-23,1997-04-21,,,,,2ROY,2.0,2.2,experimental,10.1107/S0907444996003046,,Homo sapiens,TRANSTHYRETIN,1.0,P28,"3',5'-DINITRO-N-ACETYL-L-THYRONINE",CC(=O)NC(Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O,HSA,405.31900000000013
2845,4PGF,X-RAY DIFFRACTION,2014-05-01,2014-10-01,,,,,4PGF,4.0,2.59,experimental,10.1074/jbc.M114.597153,Escherichia coli,Homo sapiens,Adenosylhomocysteinase,1.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
2846,4PGF,X-RAY DIFFRACTION,2014-05-01,2014-10-01,,,,,4PGF,4.0,2.59,experimental,10.1074/jbc.M114.597153,Escherichia coli,Homo sapiens,Adenosylhomocysteinase,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
2847,4X30,X-RAY DIFFRACTION,2014-11-27,2015-12-02,,,,,4X30,6.0,1.55,experimental,,Escherichia coli,Homo sapiens,Thyroxine-binding globulin,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2852,5HS6,X-RAY DIFFRACTION,2016-01-25,2016-07-13,,,,,5HS6,3.0,2.02,experimental,10.1021/acs.jmedchem.6b00293,Escherichia coli BL21,Homo sapiens,17-beta-hydroxysteroid dehydrogenase 14,1.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
2853,5HS6,X-RAY DIFFRACTION,2016-01-25,2016-07-13,,,,,5HS6,3.0,2.02,experimental,10.1021/acs.jmedchem.6b00293,Escherichia coli BL21,Homo sapiens,17-beta-hydroxysteroid dehydrogenase 14,1.0,J3Z,"(9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one",CC12CCC3c4ccc(cc4CCC3C1CCC2=O)O,HSA,270.3719999999999
2855,5N4Q,X-RAY DIFFRACTION,2017-02-11,2017-08-09,,,,,5N4Q,3.0,1.72,experimental,10.1038/s41598-017-06781-0,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2856,5N4Q,X-RAY DIFFRACTION,2017-02-11,2017-08-09,,,,,5N4Q,3.0,1.72,experimental,10.1038/s41598-017-06781-0,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,VCA,VACCENIC ACID,CCCCCCC=CCCCCCCCCCC(=O)O,HSA,282.4679999999999
2860,7YCQ,X-RAY DIFFRACTION,2022-07-01,2023-05-03,,,,,7YCQ,2.0,1.99,experimental,10.1002/pro.4610,Escherichia coli,Homo sapiens,Transthyretin,1.0,1FL,"5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID",c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,HSA,250.19999999999996
2861,8R7R,ELECTRON MICROSCOPY,2023-11-27,2024-10-30,,,,,8R7R,12.0,2.97,experimental,10.1038/s41421-024-00691-y,Homo sapiens,Homo sapiens,Gap junction delta-2 protein,1.0,QDN,Quinidine,COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O,HSA,324.4240000000001
2863,9DMA,X-RAY DIFFRACTION,2024-09-12,2025-09-10,,,,,9DMA,7.0,1.89,experimental,10.1126/sciadv.adx7687,Escherichia coli,Homo sapiens,2-aminoethanethiol dioxygenase,1.0,HLZ,1-hydrazinophthalazine,c1ccc2c(c1)cnnc2NN,HSA,160.18
2866,4TU7,X-RAY DIFFRACTION,2014-06-24,2014-11-26,,,,,4TU7,15.0,2.087,experimental,10.1073/pnas.1412743111,,synthetic construct,DNA (5'-D(*UP*UP*UP*UP*(BRU)P*UP*U)-3'),2.0,CPQ,"N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE",CC(CCC(=O)N(CCCNC(=O)C(C(C(C(CO)O)O)O)O)CCCNC(=O)C(C(C(C(CO)O)O)O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C,HSA,862.068
2877,4TU9,X-RAY DIFFRACTION,2014-06-24,2014-11-26,,,,,4TU9,14.0,1.992,experimental,10.1073/pnas.1412743111,,Homo sapiens,DNA (5'-D(*UP*UP*UP*UP*(BRU)P*DG*U)-3'),2.0,CPQ,"N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE",CC(CCC(=O)N(CCCNC(=O)C(C(C(C(CO)O)O)O)O)CCCNC(=O)C(C(C(C(CO)O)O)O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C,HSA,862.068
2882,6Q2O,ELECTRON MICROSCOPY,2019-08-08,2019-10-02,,,,,6Q2O,20.0,3.65,experimental,10.7554/eLife.47650,Escherichia coli,Homo sapiens,Neurturin,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
2887,1Z7J,X-RAY DIFFRACTION,2005-03-25,2005-06-07,,,,,1Z7J,2.0,2.2,experimental,10.1107/S0907444905022523,,Homo sapiens,Transthyretin,1.0,T4A,"3,3',5,5'-TETRAIODOTHYROACETIC ACID",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O,HSA,747.83
2889,3B2K,X-RAY DIFFRACTION,2011-08-03,2012-06-20,,,,,3B2K,7.0,1.73,experimental,10.1007/s10969-012-9137-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2890,3MUM,X-RAY DIFFRACTION,2010-05-03,2010-08-25,,,,,3MUM,3.0,2.9,experimental,10.1021/bi100671e,,,G20A mutant c-di-GMP Riboswitch,2.0,C2E,"9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,HSA,690.4159999999999
2893,3VG3,X-RAY DIFFRACTION,2011-08-03,2012-06-20,,,,,3VG3,4.0,2.22,experimental,10.1007/s10969-012-9137-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2896,3VG6,X-RAY DIFFRACTION,2011-08-03,2012-06-20,,,,,3VG6,8.0,2.22,experimental,10.1007/s10969-012-9137-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2897,3VG7,X-RAY DIFFRACTION,2011-08-03,2012-08-01,,,,,3VG7,2.0,1.44,experimental,10.1007/s10969-012-9137-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2898,4CUT,X-RAY DIFFRACTION,2014-03-21,2014-04-02,,,,,4CUT,5.0,1.835,experimental,,Escherichia coli BL21(DE3),Homo sapiens,BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B,1.0,TYL,N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL),CC(=O)Nc1ccc(cc1)O,HSA,151.165
2900,6.00E+73,X-RAY DIFFRACTION,2018-07-25,2019-07-31,,,,,6.00E+73,3.0,1.797,experimental,,Escherichia coli,Homo sapiens,Transthyretin,1.0,1FL,"5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID",c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,HSA,250.19999999999996
2902,6EW5,X-RAY DIFFRACTION,2017-11-03,2018-07-11,,,,,6EW5,4.0,1.95,experimental,10.1186/s12900-018-0087-2,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2903,8W42,X-RAY DIFFRACTION,2023-08-23,2023-11-22,STL,1400.0,Kd,nM,8W42,3.0,1.45,experimental,10.1021/acs.jmedchem.3c01698,Escherichia coli,Homo sapiens,Transthyretin,1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
2914,3B2J,X-RAY DIFFRACTION,2011-08-03,2012-06-20,,,,,3B2J,8.0,2,experimental,10.1007/s10969-012-9137-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2917,3B2L,X-RAY DIFFRACTION,2011-08-03,2012-06-20,,,,,3B2L,7.0,2.25,experimental,10.1007/s10969-012-9137-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2918,3BPT,X-RAY DIFFRACTION,2007-12-19,2008-01-08,,,,,3BPT,2.0,1.5,experimental,,Escherichia coli,Homo sapiens,3-hydroxyisobutyryl-CoA hydrolase,1.0,QUE,"3,5,7,3',4'-PENTAHYDROXYFLAVONE",c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,HSA,302.238
2920,3D2T,X-RAY DIFFRACTION,2008-05-08,2008-05-20,1FL,1300.0,Kd,nM,3D2T,2.0,1.85,experimental,10.1021/jm030347n,Escherichia coli,Homo sapiens,Transthyretin,1.0,1FL,"5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID",c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,HSA,250.19999999999996
2933,3IWX,X-RAY DIFFRACTION,2009-09-03,2009-09-22,,,,,3IWX,4.0,2.14,experimental,10.1021/ja906363t,Escherichia coli,Homo sapiens,Copper transport protein ATOX1,1.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
2935,3O5R,X-RAY DIFFRACTION,2010-07-28,2011-06-01,,,,,3O5R,1.0,1.1,experimental,10.1107/S0907444911013862,Escherichia coli,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP5,1.0,FK5,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,HSA,804.0310000000002
2936,3VG2,X-RAY DIFFRACTION,2011-08-03,2012-06-20,,,,,3VG2,7.0,2.4,experimental,10.1007/s10969-012-9137-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2938,4D6A,X-RAY DIFFRACTION,2014-11-10,2015-05-20,,,,,4D6A,3.0,1.45,experimental,10.1371/JOURNAL.PONE.0128954,Escherichia coli,Homo sapiens,MYELIN P2 PROTEIN,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
2939,4D6A,X-RAY DIFFRACTION,2014-11-10,2015-05-20,,,,,4D6A,3.0,1.45,experimental,10.1371/JOURNAL.PONE.0128954,Escherichia coli,Homo sapiens,MYELIN P2 PROTEIN,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2943,5LJD,X-RAY DIFFRACTION,2016-07-18,2017-01-18,,,,,5LJD,2.0,1.61,experimental,10.1016/j.jsb.2016.12.012,Escherichia coli BL21(DE3),Homo sapiens,Retinol-binding protein 1,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
2945,5LJE,X-RAY DIFFRACTION,2016-07-18,2017-01-18,,,,,5LJE,2.0,1.4,experimental,10.1016/j.jsb.2016.12.012,Escherichia coli BL21(DE3),Homo sapiens,Retinol-binding protein 1,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
2946,6S2S,X-RAY DIFFRACTION,2019-06-21,2019-08-28,,,,,6S2S,4.0,0.86,experimental,10.3390/molecules24173044,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2947,6S2S,X-RAY DIFFRACTION,2019-06-21,2019-08-28,,,,,6S2S,4.0,0.86,experimental,10.3390/molecules24173044,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,VCA,VACCENIC ACID,CCCCCCC=CCCCCCCCCCC(=O)O,HSA,282.4679999999999
2948,6S2S,X-RAY DIFFRACTION,2019-06-21,2019-08-28,,,,,6S2S,4.0,0.86,experimental,10.3390/molecules24173044,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
2949,7O60,"X-RAY DIFFRACTION, NEUTRON DIFFRACTION",2021-04-09,2021-09-01,,,,,7O60,2.0,"2, 2.4",experimental,10.1111/febs.16079,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
2950,7O60,"X-RAY DIFFRACTION, NEUTRON DIFFRACTION",2021-04-09,2021-09-01,,,,,7O60,2.0,"2, 2.4",experimental,10.1111/febs.16079,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2952,9HJC,ELECTRON MICROSCOPY,2024-11-28,2025-03-12,,,,,9HJC,4.0,2.1,experimental,,Escherichia coli,Homo sapiens,Thiamine pyrophosphokinase 1,1.0,VIB,3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,HSA,265.36199999999997
2959,2XN3,X-RAY DIFFRACTION,2010-07-30,2011-02-16,,,,,2XN3,1.0,2.09,experimental,10.1074/JBC.M110.171082,Escherichia coli BL21(DE3),Homo sapiens,THYROXINE-BINDING GLOBULIN,2.0,ID8,"2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID",Cc1cccc(c1C)Nc2ccccc2C(=O)O,HSA,241.29000000000002
2962,3B2H,X-RAY DIFFRACTION,2011-08-03,2012-06-20,,,,,3B2H,14.0,1.55,experimental,10.1007/s10969-012-9137-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2964,3B2I,X-RAY DIFFRACTION,2011-08-03,2012-07-11,,,,,3B2I,8.0,1.86,experimental,10.1007/s10969-012-9137-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2965,3EPY,X-RAY DIFFRACTION,2008-09-30,2009-01-20,,,,,3EPY,4.0,2.005,experimental,,Escherichia coli,Homo sapiens,Acyl-CoA-binding domain-containing protein 7,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2966,3EPY,X-RAY DIFFRACTION,2008-09-30,2009-01-20,,,,,3EPY,4.0,2.005,experimental,,Escherichia coli,Homo sapiens,Acyl-CoA-binding domain-containing protein 7,1.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
2967,3STK,X-RAY DIFFRACTION,2011-07-11,2011-08-10,,,,,3STK,2.0,1.55,experimental,10.1074/jbc.M111.270165,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2968,3STM,X-RAY DIFFRACTION,2011-07-11,2011-08-10,,,,,3STM,1.0,2.216,experimental,10.1074/jbc.M111.270165,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2970,3VG4,X-RAY DIFFRACTION,2011-08-03,2012-06-20,,,,,3VG4,4.0,2.5,experimental,10.1007/s10969-012-9137-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2972,3VG5,X-RAY DIFFRACTION,2011-08-03,2012-06-20,,,,,3VG5,4.0,2,experimental,10.1007/s10969-012-9137-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2973,4A1H,X-RAY DIFFRACTION,2011-09-15,2012-09-26,,,,,4A1H,7.0,2.201,experimental,,Escherichia coli BL21(DE3),Homo sapiens,MYELIN P2 PROTEIN,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2976,4I89,X-RAY DIFFRACTION,2012-12-03,2013-06-19,,,,,4I89,2.0,1.69,experimental,10.1016/j.febslet.2013.06.016,Escherichia coli BL21(DE3),Homo sapiens,Transthyretin,1.0,1FL,"5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID",c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,HSA,250.19999999999996
2977,5LJB,X-RAY DIFFRACTION,2016-07-18,2017-01-18,,,,,5LJB,1.0,1.263,experimental,10.1016/j.jsb.2016.12.012,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,Retinol-binding protein 1,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
2979,5LJC,X-RAY DIFFRACTION,2016-07-18,2017-01-18,,,,,5LJC,2.0,1.433,experimental,10.1016/j.jsb.2016.12.012,Escherichia coli BL21(DE3),Homo sapiens,Retinol-binding protein 1,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
2980,5LJG,X-RAY DIFFRACTION,2016-07-18,2017-01-18,,,,,5LJG,1.0,1.146,experimental,10.1016/j.jsb.2016.12.012,Escherichia coli BL21(DE3),Homo sapiens,Retinol-binding protein 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2981,6EMM,X-RAY DIFFRACTION,2017-10-02,2018-10-31,,,,,6EMM,4.0,2.47,experimental,,Escherichia coli BL21,Homo sapiens,17-beta-hydroxysteroid dehydrogenase 14,1.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
2982,6EMM,X-RAY DIFFRACTION,2017-10-02,2018-10-31,,,,,6EMM,4.0,2.47,experimental,,Escherichia coli BL21,Homo sapiens,17-beta-hydroxysteroid dehydrogenase 14,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
2988,7.00E+25,X-RAY DIFFRACTION,2021-02-04,2021-07-14,,,,,7.00E+25,5.0,1.6,experimental,10.1107/S2059798321005763,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, brain",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
2996,9DXP,ELECTRON MICROSCOPY,2024-10-11,2025-07-16,,,,,9DXP,2.0,2.3,experimental,10.1016/j.cell.2025.06.032,Homo sapiens,Homo sapiens,Solute carrier organic anion transporter family member 1C1,1.0,Y01,CHOLESTEROL HEMISUCCINATE,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C,HSA,486.73700000000036
2997,9DXP,ELECTRON MICROSCOPY,2024-10-11,2025-07-16,,,,,9DXP,2.0,2.3,experimental,10.1016/j.cell.2025.06.032,Homo sapiens,Homo sapiens,Solute carrier organic anion transporter family member 1C1,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
2998,2WIN,X-RAY DIFFRACTION,2009-05-13,2009-06-09,,,,,2WIN,9.0,3.9,experimental,10.1038/ni.1756,Escherichia coli BL21(DE3),Staphylococcus aureus,STAPHYLOCOCCAL COMPLEMENT INHIBITOR,4.0,MAN,alpha-D-mannopyranose,C(C1C(C(C(C(O1)O)O)O)O)O,HSA,180.156
3028,6S64,X-RAY DIFFRACTION,2019-07-02,2020-07-22,,,,,6S64,3.0,2.22,experimental,10.1016/j.ejmech.2021.113835,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3029,6S64,X-RAY DIFFRACTION,2019-07-02,2020-07-22,,,,,6S64,3.0,2.22,experimental,10.1016/j.ejmech.2021.113835,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3030,6S64,X-RAY DIFFRACTION,2019-07-02,2020-07-22,,,,,6S64,3.0,2.22,experimental,10.1016/j.ejmech.2021.113835,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,KXE,"3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid",c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O,HSA,418.2800000000001
3041,1ETB,X-RAY DIFFRACTION,1993-05-12,1995-01-26,,,,,1ETB,2.0,1.7,experimental,,,Homo sapiens,TRANSTHYRETIN,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
3043,2RCT,X-RAY DIFFRACTION,2007-09-20,2007-10-02,,,,,2RCT,4.0,1.2,experimental,10.1002/prot.21848,Escherichia coli,Homo sapiens,"Retinol-binding protein II, cellular",1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
3044,2RCT,X-RAY DIFFRACTION,2007-09-20,2007-10-02,,,,,2RCT,4.0,1.2,experimental,10.1002/prot.21848,Escherichia coli,Homo sapiens,"Retinol-binding protein II, cellular",1.0,TLA,L(+)-TARTARIC ACID,C(C(C(=O)O)O)(C(=O)O)O,HSA,150.08599999999998
3050,3IRW,X-RAY DIFFRACTION,2009-08-24,2009-11-10,,,,,3IRW,12.0,2.7,experimental,10.1038/nsmb.1702,,Vibrio cholerae,c-di-GMP Riboswitch,2.0,C2E,"9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,HSA,690.4159999999999
3053,3TEG,X-RAY DIFFRACTION,2011-08-14,2011-11-23,,,,,3TEG,1.0,2.2044,experimental,10.1016/j.chembiol.2011.08.008,Escherichia coli,Homo sapiens,"Phenylalanyl-tRNA synthetase, mitochondrial",1.0,DAH,"3,4-DIHYDROXYPHENYLALANINE",c1cc(c(cc1CC(C(=O)O)N)O)O,HSA,197.19
3055,4QYN,X-RAY DIFFRACTION,2014-07-24,2014-12-31,,,,,4QYN,3.0,1.19,experimental,10.1107/S1399004714023839,Escherichia coli,Homo sapiens,Retinol-binding protein 2,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
3063,7DZG,X-RAY DIFFRACTION,2021-01-25,2022-07-27,,,,,7DZG,2.0,1.6,experimental,10.1038/s41557-022-00992-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3064,7DZH,X-RAY DIFFRACTION,2021-01-25,2022-07-27,,,,,7DZH,2.0,1.65,experimental,10.1038/s41557-022-00992-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3065,7DZJ,X-RAY DIFFRACTION,2021-01-25,2022-07-27,,,,,7DZJ,2.0,1.63,experimental,10.1038/s41557-022-00992-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3066,7F43,X-RAY DIFFRACTION,2021-06-17,2022-06-22,3JD,28840.0,IC50,nM,7F43,1.0,1.62,experimental,10.1016/j.bbrc.2022.06.070,Escherichia coli BL21(DE3),Homo sapiens,Protein mono-ADP-ribosyltransferase PARP15,1.0,3JD,2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide,c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)C4CCCNC4,HSA,320.39600000000013
3068,8J9X,ELECTRON MICROSCOPY,2023-05-05,2024-02-07,,,,,8J9X,4.0,3,experimental,10.1038/s42004-024-01129-y,,Homo sapiens,DNA (5'-D(*GP*GP*CP*CP*GP*CP*CP*TP*AP*CP*AP*TP*AP*CP*CP*TP*C)-3'),3.0,ASW,N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide,COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C,HSA,393.4680000000001
3071,1ETA,X-RAY DIFFRACTION,1993-05-12,1995-01-26,,,,,1ETA,2.0,1.7,experimental,,,Homo sapiens,TRANSTHYRETIN,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
3072,2RIW,X-RAY DIFFRACTION,2007-10-12,2008-10-14,,,,,2RIW,1.0,2.04,experimental,10.1074/jbc.M110.171082,Escherichia coli,Homo sapiens,Thyroxine-binding globulin,2.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
3078,4BVM,X-RAY DIFFRACTION,2013-06-26,2014-01-15,,,,,4BVM,4.0,0.93,experimental,10.1107/S1399004713027910,Escherichia coli BL21(DE3),Homo sapiens,MYELIN P2 PROTEIN,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3079,4BVM,X-RAY DIFFRACTION,2013-06-26,2014-01-15,,,,,4BVM,4.0,0.93,experimental,10.1107/S1399004713027910,Escherichia coli BL21(DE3),Homo sapiens,MYELIN P2 PROTEIN,1.0,VCA,VACCENIC ACID,CCCCCCC=CCCCCCCCCCC(=O)O,HSA,282.4679999999999
3080,4BVM,X-RAY DIFFRACTION,2013-06-26,2014-01-15,,,,,4BVM,4.0,0.93,experimental,10.1107/S1399004713027910,Escherichia coli BL21(DE3),Homo sapiens,MYELIN P2 PROTEIN,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
3086,5H8T,X-RAY DIFFRACTION,2015-12-23,2016-03-02,,,,,5H8T,1.0,1.21,experimental,10.1074/jbc.M116.714535,Escherichia coli BL21(DE3),Homo sapiens,Retinol-binding protein 1,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
3087,5HBS,X-RAY DIFFRACTION,2016-01-02,2016-03-02,,,,,5HBS,1.0,0.89,experimental,10.1074/jbc.M116.714535,Escherichia coli BL21(DE3),Homo sapiens,Retinol-binding protein 1,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
3089,5NZY,X-RAY DIFFRACTION,2017-05-15,2017-06-14,,,,,5NZY,3.0,1.551,experimental,,Spodoptera frugiperda,Homo sapiens,DNA cross-link repair 1A protein,1.0,CE3,"(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy
clo[4.2.0]oct-2-ene-2-carboxylic acid",CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)c3csc(n3)N)SC1)C(=O)O,HSA,455.4740000000002
3090,5PBE,X-RAY DIFFRACTION,2017-02-03,2017-03-15,,,,,5PBE,3.0,1.835,experimental,10.1038/ncomms15123,Escherichia coli,Homo sapiens,Bromodomain adjacent to zinc finger domain protein 2B,1.0,TYL,N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL),CC(=O)Nc1ccc(cc1)O,HSA,151.165
3092,5UCA,X-RAY DIFFRACTION,2016-12-22,2017-02-15,,,,,5UCA,3.0,2.117,experimental,10.1016/j.chom.2017.01.002,Escherichia coli,Homo sapiens,Heme oxygenase 2,1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
3093,6XU5,X-RAY DIFFRACTION,2020-01-17,2020-04-08,,,,,6XU5,3.0,1.65,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3094,6XU5,X-RAY DIFFRACTION,2020-01-17,2020-04-08,,,,,6XU5,3.0,1.65,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
3095,6XUA,X-RAY DIFFRACTION,2020-01-17,2020-04-08,,,,,6XUA,3.0,2.3,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
3096,6XUA,X-RAY DIFFRACTION,2020-01-17,2020-04-08,,,,,6XUA,3.0,2.3,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3097,7DZE,X-RAY DIFFRACTION,2021-01-25,2022-07-27,,,,,7DZE,2.0,1.55,experimental,10.1038/s41557-022-00992-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3098,7DZF,X-RAY DIFFRACTION,2021-01-25,2022-07-27,,,,,7DZF,2.0,1.7,experimental,10.1038/s41557-022-00992-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3099,7DZL,X-RAY DIFFRACTION,2021-01-25,2022-07-27,,,,,7DZL,2.0,1.64,experimental,10.1038/s41557-022-00992-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3100,8ZKO,ELECTRON MICROSCOPY,2024-05-17,2025-04-02,,,,,8ZKO,3.0,3.13,experimental,10.1038/s41467-025-58131-8,Homo sapiens,Homo sapiens,Monocarboxylate transporter 8,1.0,PC1,"1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE",CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,HSA,790.1609999999991
3101,8ZKO,ELECTRON MICROSCOPY,2024-05-17,2025-04-02,,,,,8ZKO,3.0,3.13,experimental,10.1038/s41467-025-58131-8,Homo sapiens,Homo sapiens,Monocarboxylate transporter 8,1.0,T3,"3,5,3'TRIIODOTHYRONINE",c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O,HSA,650.9760000000001
3102,9DWY,ELECTRON MICROSCOPY,2024-10-10,2025-07-16,,,,,9DWY,1.0,2.9,experimental,10.1016/j.cell.2025.06.032,Homo sapiens,Homo sapiens,Monocarboxylate transporter 8,1.0,T3,"3,5,3'TRIIODOTHYRONINE",c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O,HSA,650.9760000000001
3103,9M8Y,ELECTRON MICROSCOPY,2025-03-13,2025-06-18,,,,,9M8Y,1.0,3.27,experimental,,Homo sapiens,Homo sapiens,Isoform 2 of Solute carrier family 22 member 6,1.0,X56,Cefazolin,Cc1nnc(s1)SCC2=C(N3C(C(C3=O)NC(=O)Cn4cnnn4)SC2)C(=O)O,HSA,454.51900000000023
3104,1DVS,X-RAY DIFFRACTION,2000-01-22,2001-01-22,,,,,1DVS,1.0,2,experimental,10.1038/74082,Escherichia coli,Homo sapiens,TRANSTHYRETIN,1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
3105,1F86,X-RAY DIFFRACTION,2000-06-29,2001-06-29,,,,,1F86,2.0,1.1,experimental,10.1006/jmbi.2000.4415,Escherichia coli,Homo sapiens,TRANSTHYRETIN THR119MET VARIANT,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
3110,3OZK,X-RAY DIFFRACTION,2010-09-25,2011-08-24,,,,,3OZK,2.0,1.9,experimental,,Escherichia coli,Homo sapiens,Transthyretin,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
3111,4BVV,X-RAY DIFFRACTION,2013-06-28,2014-07-16,,,,,4BVV,2.0,1.8,experimental,,Komagataella pastoris,Homo sapiens,APOLIPOPROTEIN(A),1.0,CPF,"1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID",c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4,HSA,331.3470000000001
3113,5KM9,X-RAY DIFFRACTION,2016-06-26,2017-06-28,,,,,5KM9,4.0,1.45,experimental,10.1021/acs.molpharmaceut.7b00664,Escherichia coli,Homo sapiens,"Histidine triad nucleotide-binding protein 2, mitochondrial",1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
3114,5KM9,X-RAY DIFFRACTION,2016-06-26,2017-06-28,,,,,5KM9,4.0,1.45,experimental,10.1021/acs.molpharmaceut.7b00664,Escherichia coli,Homo sapiens,"Histidine triad nucleotide-binding protein 2, mitochondrial",1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
3118,6PAH,X-RAY DIFFRACTION,1998-08-20,1999-04-27,,,,,6PAH,2.0,2.15,experimental,10.1021/bi9815290,Escherichia coli,Homo sapiens,PHENYLALANINE 4-MONOOXYGENASE,1.0,DAH,"3,4-DIHYDROXYPHENYLALANINE",c1cc(c(cc1CC(C(=O)O)N)O)O,HSA,197.19
3119,6XU9,X-RAY DIFFRACTION,2020-01-17,2020-04-08,,,,,6XU9,3.0,2.7,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3121,6XU9,X-RAY DIFFRACTION,2020-01-17,2020-04-08,,,,,6XU9,3.0,2.7,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
3122,6XVQ,X-RAY DIFFRACTION,2020-01-22,2020-04-08,,,,,6XVQ,2.0,1.8,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3123,6XVQ,X-RAY DIFFRACTION,2020-01-22,2020-04-08,,,,,6XVQ,2.0,1.8,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
3124,7A9Y,X-RAY DIFFRACTION,2020-09-02,2021-02-17,,,,,7A9Y,3.0,1.64,experimental,10.1107/S2059798320015247,Escherichia coli BL21,Homo sapiens,Cellular retinoic acid-binding protein 1,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3126,7A9Y,X-RAY DIFFRACTION,2020-09-02,2021-02-17,,,,,7A9Y,3.0,1.64,experimental,10.1107/S2059798320015247,Escherichia coli BL21,Homo sapiens,Cellular retinoic acid-binding protein 1,1.0,TDA,N-TRIDECANOIC ACID,CCCCCCCCCCCCC(=O)O,HSA,214.34899999999996
3127,7D7V,X-RAY DIFFRACTION,2020-10-06,2020-11-25,,,,,7D7V,10.0,2.8,experimental,10.1093/nar/gkaa1029,bacterium,Homo sapiens,U1 small nuclear ribonucleoprotein A,2.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
3130,7DZI,X-RAY DIFFRACTION,2021-01-25,2022-07-27,,,,,7DZI,2.0,1.65,experimental,10.1038/s41557-022-00992-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3131,7DZK,X-RAY DIFFRACTION,2021-01-25,2022-07-27,,,,,7DZK,2.0,1.54,experimental,10.1038/s41557-022-00992-3,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, liver",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3132,7F3G,X-RAY DIFFRACTION,2021-06-16,2021-08-18,RXT,68.0,Kd,nM,7F3G,2.0,2.1,experimental,10.3390/ijms22168488,Escherichia coli,Homo sapiens,Isoform 4 of Serine/threonine-protein kinase DCLK1,1.0,RXT,"(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile",c1c[nH]c2c1c(ncn2)c3cnn(c3)C(CC#N)C4CCCC4,HSA,306.37300000000016
3133,8S61,ELECTRON MICROSCOPY,2024-02-26,2024-10-02,,,,,8S61,1.0,3.53,experimental,10.1038/s41467-024-52872-8,Homo sapiens,Homo sapiens,Thiamine transporter 2,2.0,VIB,3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,HSA,265.36199999999997
3135,8XV2,ELECTRON MICROSCOPY,2024-01-14,2024-03-27,,,,,8XV2,1.0,3.7,experimental,10.1038/s41422-024-00951-2,Homo sapiens,"Escherichia coli, Homo sapiens","Soluble cytochrome b562,Thiamine transporter 2",1.0,VIB,3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,HSA,265.36199999999997
3136,9GSZ,ELECTRON MICROSCOPY,2024-09-16,2025-05-21,,,,,9GSZ,1.0,3.8,experimental,10.1038/s41467-025-59751-w,Homo sapiens,Homo sapiens,Monocarboxylate transporter 10,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
3138,3A7E,X-RAY DIFFRACTION,2009-09-26,2010-09-15,,,,,3A7E,3.0,2.8,experimental,,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
3139,3A7E,X-RAY DIFFRACTION,2009-09-26,2010-09-15,,,,,3A7E,3.0,2.8,experimental,,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,DNC,"3,5-DINITROCATECHOL",c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],HSA,200.106
3140,3CTR,X-RAY DIFFRACTION,2008-04-14,2008-07-29,,,,,3CTR,1.0,2.1,experimental,10.1016/j.jmb.2008.07.073,Escherichia coli,Homo sapiens,Poly(A)-specific ribonuclease PARN,1.0,MGP,7-METHYL-GUANOSINE-5'-TRIPHOSPHATE,C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,HSA,538.2160000000002
3141,4JQ1,X-RAY DIFFRACTION,2013-03-19,2014-04-02,NPS,1100.0,IC50,nM,4JQ1,8.0,1.6,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Aldo-keto reductase family 1 member C2,1.0,NPS,(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid,CC(c1ccc2cc(ccc2c1)OC)C(=O)O,HSA,230.26299999999998
3148,6I3C,X-RAY DIFFRACTION,2018-11-05,2019-09-18,,,,,6I3C,3.0,1.336,experimental,10.1021/acscatal.9b00174,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
3149,6I3C,X-RAY DIFFRACTION,2018-11-05,2019-09-18,,,,,6I3C,3.0,1.336,experimental,10.1021/acscatal.9b00174,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,DNC,"3,5-DINITROCATECHOL",c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],HSA,200.106
3152,4XUE,X-RAY DIFFRACTION,2015-01-25,2015-04-15,43J,170.0,IC50,nM,4XUE,6.0,2.3,experimental,10.1021/ml500502d,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,43J,2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one,CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3,HSA,278.311
3155,6I3D,X-RAY DIFFRACTION,2018-11-05,2019-09-18,,,,,6I3D,6.0,1.45,experimental,10.1021/acscatal.9b00174,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,DNC,"3,5-DINITROCATECHOL",c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],HSA,200.106
3157,6I3D,X-RAY DIFFRACTION,2018-11-05,2019-09-18,,,,,6I3D,6.0,1.45,experimental,10.1021/acscatal.9b00174,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,SFG,SINEFUNGIN,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)N,HSA,381.3930000000001
3159,8XOM,ELECTRON MICROSCOPY,2024-01-01,2024-07-17,MTX,133000.0,IC50,nM,8XOM,18.0,3.05,experimental,10.1002/1873-3468.14955,Mammalian expression vector Flag-MCS-pcDNA3.1,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3160,8XOM,ELECTRON MICROSCOPY,2024-01-01,2024-07-17,MTX,133000.0,IC50,nM,8XOM,18.0,3.05,experimental,10.1002/1873-3468.14955,Mammalian expression vector Flag-MCS-pcDNA3.1,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,DU0,"2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol",CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(CO)CO)C)C)C)OC1,HSA,516.7630000000004
3161,8XOM,ELECTRON MICROSCOPY,2024-01-01,2024-07-17,MTX,133000.0,IC50,nM,8XOM,18.0,3.05,experimental,10.1002/1873-3468.14955,Mammalian expression vector Flag-MCS-pcDNA3.1,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,MTX,METHOTREXATE,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,HSA,454.44700000000023
3162,8XOM,ELECTRON MICROSCOPY,2024-01-01,2024-07-17,MTX,133000.0,IC50,nM,8XOM,18.0,3.05,experimental,10.1002/1873-3468.14955,Mammalian expression vector Flag-MCS-pcDNA3.1,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,ANP,PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N,HSA,506.1980000000001
3167,3BWM,X-RAY DIFFRACTION,2008-01-09,2008-06-03,,,,,3BWM,4.0,1.98,experimental,10.1016/j.jmb.2008.04.040,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
3168,3BWM,X-RAY DIFFRACTION,2008-01-09,2008-06-03,,,,,3BWM,4.0,1.98,experimental,10.1016/j.jmb.2008.04.040,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,DNC,"3,5-DINITROCATECHOL",c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],HSA,200.106
3170,3BWY,X-RAY DIFFRACTION,2008-01-10,2008-06-03,,,,,3BWY,6.0,1.3,experimental,10.1016/j.jmb.2008.04.040,Escherichia coli,Homo sapiens,COMT protein,1.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
3171,3BWY,X-RAY DIFFRACTION,2008-01-10,2008-06-03,,,,,3BWY,6.0,1.3,experimental,10.1016/j.jmb.2008.04.040,Escherichia coli,Homo sapiens,COMT protein,1.0,DNC,"3,5-DINITROCATECHOL",c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],HSA,200.106
3175,5LSA,X-RAY DIFFRACTION,2016-08-24,2016-09-07,,,,,5LSA,4.0,1.5,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Catechol O-methyltransferase,1.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
3176,5LSA,X-RAY DIFFRACTION,2016-08-24,2016-09-07,,,,,5LSA,4.0,1.5,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Catechol O-methyltransferase,1.0,DNC,"3,5-DINITROCATECHOL",c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],HSA,200.106
3183,207L,X-RAY DIFFRACTION,1996-03-26,1996-10-14,,,,,207L,1.0,1.8,experimental,,Escherichia coli,Homo sapiens,LYSOZYME,1.0,SC2,N-ACETYL-L-CYSTEINE,CC(=O)NC(CS)C(=O)O,HSA,163.198
3184,2OVD,X-RAY DIFFRACTION,2007-02-13,2007-05-22,,,,,2OVD,1.0,1.8,experimental,10.1016/j.bbapap.2007.03.004,Escherichia coli,Homo sapiens,"Complement component 8, gamma polypeptide",1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
3185,3CKL,X-RAY DIFFRACTION,2008-03-16,2008-04-01,,,,,3CKL,4.0,2,experimental,,Escherichia coli,Homo sapiens,Sulfotransferase family cytosolic 1B member 1,1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
3186,3CKL,X-RAY DIFFRACTION,2008-03-16,2008-04-01,,,,,3CKL,4.0,2,experimental,,Escherichia coli,Homo sapiens,Sulfotransferase family cytosolic 1B member 1,1.0,A3P,ADENOSINE-3'-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N,HSA,427.2030000000001
3191,4IK7,X-RAY DIFFRACTION,2012-12-25,2013-01-30,,,,,4IK7,2.0,2.1,experimental,,Escherichia coli,Homo sapiens,Transthyretin,1.0,IMN,INDOMETHACIN,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,HSA,357.7930000000001
3192,9J06,ELECTRON MICROSCOPY,2024-08-02,2025-08-13,,,,,9J06,1.0,3.68,experimental,10.1126/sciadv.ads5405,Homo sapiens,Homo sapiens,Solute carrier family 22 member 6,1.0,GBM,5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide,COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl,HSA,494.01300000000026
3193,1DVX,X-RAY DIFFRACTION,2000-01-23,2001-01-23,,,,,1DVX,1.0,2,experimental,10.1038/74082,Escherichia coli,Homo sapiens,TRANSTHYRETIN,1.0,DIF,"2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID",c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,HSA,296.153
3195,2ZB8,X-RAY DIFFRACTION,2007-10-16,2008-09-30,,,,,2ZB8,4.0,2,experimental,10.1016/j.str.2008.09.007,Escherichia coli,Homo sapiens,Prostaglandin reductase 2,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
3196,2ZB8,X-RAY DIFFRACTION,2007-10-16,2008-09-30,,,,,2ZB8,4.0,2,experimental,10.1016/j.str.2008.09.007,Escherichia coli,Homo sapiens,Prostaglandin reductase 2,1.0,IMN,INDOMETHACIN,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,HSA,357.7930000000001
3197,3CFQ,X-RAY DIFFRACTION,2008-03-04,2009-03-03,,,,,3CFQ,2.0,2.09,experimental,10.1016/j.bmc.2009.11.025,Escherichia coli,Homo sapiens,Transthyretin,1.0,DIF,"2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID",c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,HSA,296.153
3199,5UC9,X-RAY DIFFRACTION,2016-12-22,2017-02-15,,,,,5UC9,4.0,1.903,experimental,10.1016/j.chom.2017.01.002,Escherichia coli,Homo sapiens,Heme oxygenase 2,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3200,6L6E,X-RAY DIFFRACTION,2019-10-28,2020-09-02,E6L,5200.0,IC50,nM,6L6E,4.0,1.92,experimental,10.1021/acs.jmedchem.0c00853,Escherichia coli BL21(DE3),Homo sapiens,"cGMP-specific 3',5'-cyclic phosphodiesterase",1.0,E6L,"4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid
ine-5-carboxamide",COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCCC3CO)C(=O)NCc4ncccn4,HSA,483.9600000000003
3204,9D6X,X-RAY DIFFRACTION,2024-08-16,2025-08-20,,,,,9D6X,7.0,1.95,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Prostaglandin reductase 1,1.0,MTX,METHOTREXATE,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,HSA,454.44700000000023
3206,9KL5,ELECTRON MICROSCOPY,2024-11-14,2025-11-05,,,,,9KL5,2.0,3.33,experimental,10.1016/j.str.2025.07.019,Homo sapiens,Homo sapiens,Solute carrier family 22 member 6,1.0,RTO,4-(dipropylsulfamoyl)benzoic acid,CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O,HSA,285.365
3208,9U55,ELECTRON MICROSCOPY,2025-03-20,2025-06-18,,,,,9U55,1.0,3.17,experimental,,Homo sapiens,Homo sapiens,Isoform 2 of Solute carrier family 22 member 6,1.0,RTO,4-(dipropylsulfamoyl)benzoic acid,CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O,HSA,285.365
3209,1SZ7,X-RAY DIFFRACTION,2004-04-05,2005-01-18,,,,,1SZ7,1.0,1.55,experimental,10.1038/sj.emboj.7600565,Saccharomyces cerevisiae,Homo sapiens,Trafficking protein particle complex subunit 3,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3210,2WH5,X-RAY DIFFRACTION,2009-04-30,2009-07-28,,,,,2WH5,14.0,2.6,experimental,,Escherichia coli BL21(DE3),Homo sapiens,ACYL-COA-BINDING DOMAIN-CONTAINING PROTEIN 4,1.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
3212,2WH5,X-RAY DIFFRACTION,2009-04-30,2009-07-28,,,,,2WH5,14.0,2.6,experimental,,Escherichia coli BL21(DE3),Homo sapiens,ACYL-COA-BINDING DOMAIN-CONTAINING PROTEIN 4,1.0,STE,STEARIC ACID,CCCCCCCCCCCCCCCCCC(=O)O,HSA,284.4839999999999
3213,2XN5,X-RAY DIFFRACTION,2010-07-30,2011-02-16,,,,,2XN5,9.0,1.7,experimental,10.1074/JBC.M110.171082,Escherichia coli BL21(DE3),Homo sapiens,THYROXINE-BINDING GLOBULIN,2.0,FUN,5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID,c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl,HSA,330.749
3216,3FLV,X-RAY DIFFRACTION,2008-12-19,2009-02-03,,,,,3FLV,7.0,1.7,experimental,,Escherichia coli,Homo sapiens,Acyl-CoA-binding domain-containing protein 5,1.0,STE,STEARIC ACID,CCCCCCCCCCCCCCCCCC(=O)O,HSA,284.4839999999999
3217,3FLV,X-RAY DIFFRACTION,2008-12-19,2009-02-03,,,,,3FLV,7.0,1.7,experimental,,Escherichia coli,Homo sapiens,Acyl-CoA-binding domain-containing protein 5,1.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
3222,4IKI,X-RAY DIFFRACTION,2012-12-26,2013-01-30,,,,,4IKI,2.0,2,experimental,,Escherichia coli,Homo sapiens,Transthyretin,1.0,IMN,INDOMETHACIN,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,HSA,357.7930000000001
3223,4QZT,X-RAY DIFFRACTION,2014-07-28,2014-12-10,,,,,4QZT,5.0,1.9,experimental,10.1107/S1399004714023839,Escherichia coli,Homo sapiens,Retinol-binding protein 2,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
3233,6VVQ,X-RAY DIFFRACTION,2020-02-18,2020-09-02,,,,,6VVQ,1.0,3.09,experimental,10.1073/pnas.2003877117,Escherichia coli BL21(DE3),Homo sapiens,Acyl-coenzyme A thioesterase 11,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3234,7Q9O,X-RAY DIFFRACTION,2021-11-12,2022-11-23,,,,,7Q9O,4.0,1.35,experimental,10.1021/acschemneuro.2c00700,Escherichia coli,Homo sapiens,Transthyretin,1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
3237,9BWT,ELECTRON MICROSCOPY,2024-05-21,2024-09-04,,,,,9BWT,3.0,2.5,experimental,10.1038/s41467-024-51381-y,Homo sapiens,Homo sapiens,Solute carrier family 12 member 3,1.0,HCZ,"6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2,HSA,297.745
3238,9BWT,ELECTRON MICROSCOPY,2024-05-21,2024-09-04,,,,,9BWT,3.0,2.5,experimental,10.1038/s41467-024-51381-y,Homo sapiens,Homo sapiens,Solute carrier family 12 member 3,1.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
3239,9D71,X-RAY DIFFRACTION,2024-08-16,2025-08-20,,,,,9D71,3.0,2,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Prostaglandin reductase 1,1.0,MTX,METHOTREXATE,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,HSA,454.44700000000023
3241,9ITG,ELECTRON MICROSCOPY,2024-07-20,2025-04-02,,,,,9ITG,16.0,3.03,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
3242,9ITG,ELECTRON MICROSCOPY,2024-07-20,2025-04-02,,,,,9ITG,16.0,3.03,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
3243,9ITG,ELECTRON MICROSCOPY,2024-07-20,2025-04-02,,,,,9ITG,16.0,3.03,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,3PE,"1,2-Distearoyl-sn-glycerophosphoethanolamine",CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,HSA,748.0799999999991
3244,9ITG,ELECTRON MICROSCOPY,2024-07-20,2025-04-02,,,,,9ITG,16.0,3.03,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,Y01,CHOLESTEROL HEMISUCCINATE,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C,HSA,486.73700000000036
3245,9ITG,ELECTRON MICROSCOPY,2024-07-20,2025-04-02,,,,,9ITG,16.0,3.03,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3246,9ITG,ELECTRON MICROSCOPY,2024-07-20,2025-04-02,,,,,9ITG,16.0,3.03,experimental,10.1038/s41467-025-58200-y,Homo sapiens,Homo sapiens,Solute carrier family 53 member 1,1.0,1T9,"(2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate",CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NC(=O)CCCCCCC)O,HSA,505.6770000000003
3247,1QQS,X-RAY DIFFRACTION,1999-06-07,2000-04-21,,,,,1QQS,1.0,2.4,experimental,10.1021/bi992215v,unidentified baculovirus,Homo sapiens,NEUTROPHIL GELATINASE,1.0,DKA,DECANOIC ACID,CCCCCCCCCC(=O)O,HSA,172.268
3248,4XUD,X-RAY DIFFRACTION,2015-01-25,2015-04-15,43H,200.0,IC50,nM,4XUD,4.0,2.4,experimental,10.1021/ml500502d,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,43H,"[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid",B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O,HSA,307.11400000000003
3250,4XUD,X-RAY DIFFRACTION,2015-01-25,2015-04-15,43H,200.0,IC50,nM,4XUD,4.0,2.4,experimental,10.1021/ml500502d,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
3251,4XUD,X-RAY DIFFRACTION,2015-01-25,2015-04-15,43H,200.0,IC50,nM,4XUD,4.0,2.4,experimental,10.1021/ml500502d,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,MES,2-(N-MORPHOLINO)-ETHANESULFONIC ACID,C1COCC[NH+]1CCS(=O)(=O)[O-],HSA,195.23999999999998
3252,4XUC,X-RAY DIFFRACTION,2015-01-25,2015-04-15,43G,1100.0,IC50,nM,4XUC,4.0,1.8,experimental,10.1021/ml500502d,Escherichia coli,Homo sapiens,Catechol O-methyltransferase,1.0,43G,1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one,c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O,HSA,263.29599999999994
3259,2E9M,X-RAY DIFFRACTION,2007-01-25,2007-09-11,,,,,2E9M,3.0,1.8,experimental,10.1074/jbc.M700832200,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,GAL,beta-D-galactopyranose,C(C1C(C(C(C(O1)O)O)O)O)O,HSA,180.156
3260,2E9M,X-RAY DIFFRACTION,2007-01-25,2007-09-11,,,,,2E9M,3.0,1.8,experimental,10.1074/jbc.M700832200,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3261,2E9M,X-RAY DIFFRACTION,2007-01-25,2007-09-11,,,,,2E9M,3.0,1.8,experimental,10.1074/jbc.M700832200,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
3266,2XN7,X-RAY DIFFRACTION,2010-07-30,2011-02-16,,,,,2XN7,5.0,1.43,experimental,10.1074/JBC.M110.171082,Escherichia coli BL21(DE3),Homo sapiens,THYROXINE-BINDING GLOBULIN,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
3270,3HKK,X-RAY DIFFRACTION,2009-05-24,2010-05-26,,,,,3HKK,8.0,2.9,experimental,,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,PAM,PALMITOLEIC ACID,CCCCCCC=CCCCCCCCC(=O)O,HSA,254.4139999999999
3271,3HKK,X-RAY DIFFRACTION,2009-05-24,2010-05-26,,,,,3HKK,8.0,2.9,experimental,,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3272,3HKK,X-RAY DIFFRACTION,2009-05-24,2010-05-26,,,,,3HKK,8.0,2.9,experimental,,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,GTS,GLUTATHIONE SULFONIC ACID,C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N,HSA,355.32500000000005
3273,3NR3,X-RAY DIFFRACTION,2010-06-30,2010-08-04,,,,,3NR3,8.0,1.95,experimental,,Escherichia coli,Homo sapiens,PMP2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3276,3NR3,X-RAY DIFFRACTION,2010-06-30,2010-08-04,,,,,3NR3,8.0,1.95,experimental,,Escherichia coli,Homo sapiens,PMP2 protein,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
3277,3NR3,X-RAY DIFFRACTION,2010-06-30,2010-08-04,,,,,3NR3,8.0,1.95,experimental,,Escherichia coli,Homo sapiens,PMP2 protein,1.0,EPE,4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID,C1CN(CCN1CCO)CCS(=O)(=O)O,HSA,238.309
3280,4WNJ,X-RAY DIFFRACTION,2014-10-13,2015-08-05,,,,,4WNJ,3.0,1.398,experimental,10.1107/S1399004715010585,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,Transthyretin,1.0,QUE,"3,5,7,3',4'-PENTAHYDROXYFLAVONE",c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,HSA,302.238
3285,2WEW,X-RAY DIFFRACTION,2009-04-02,2009-09-15,,,,,2WEW,2.0,1.95,experimental,10.1016/J.JMB.2009.08.071,Escherichia coli BL21(DE3),Homo sapiens,APOLIPOPROTEIN M,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3287,8HNH,ELECTRON MICROSCOPY,2022-12-07,2023-09-13,,,,,8HNH,2.0,3.73,experimental,10.1038/s41422-023-00870-8,Homo sapiens,Homo sapiens,Solute carrier organic anion transporter family member 1B1,1.0,30B,"(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide",Cc1c(ccc2c1nc(cc2OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC,HSA,749.956
3288,8HNH,ELECTRON MICROSCOPY,2022-12-07,2023-09-13,,,,,8HNH,2.0,3.73,experimental,10.1038/s41422-023-00870-8,Homo sapiens,Homo sapiens,Solute carrier organic anion transporter family member 1B1,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
3290,9D6Z,X-RAY DIFFRACTION,2024-08-16,2025-08-20,,,,,9D6Z,19.0,1.75,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Prostaglandin reductase 1,1.0,MTX,METHOTREXATE,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,HSA,454.44700000000023
3293,1JTV,X-RAY DIFFRACTION,2001-08-22,2003-06-24,,,,,1JTV,2.0,1.54,experimental,,,Homo sapiens,17 beta-hydroxysteroid dehydrogenase type 1,1.0,TES,TESTOSTERONE,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,HSA,288.43100000000004
3296,2GEH,X-RAY DIFFRACTION,2006-03-20,2006-06-20,,,,,2GEH,4.0,2,experimental,10.1016/j.bmcl.2006.05.068,,Homo sapiens,Carbonic anhydrase 2,1.0,HG,MERCURY (II) ION,[Hg+2],HSA,200.59
3302,4Q93,X-RAY DIFFRACTION,2014-04-28,2014-12-17,,,,,4Q93,12.0,2.1,experimental,10.1038/nature14028,Escherichia coli,Homo sapiens,"Tyrosine--tRNA ligase, cytoplasmic",1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
3309,5N26,X-RAY DIFFRACTION,2017-02-07,2017-08-02,,,,,5N26,15.0,2.05,experimental,10.1021/acs.inorgchem.7b01072,Escherichia coli BL21(DE3),Homo sapiens,Ferritin heavy chain,1.0,73M,bis(azanyl)-chloranyl-oxidanyl-platinum,N[Pt](N)(O)Cl,HSA,279.584
3310,5N26,X-RAY DIFFRACTION,2017-02-07,2017-08-02,,,,,5N26,15.0,2.05,experimental,10.1021/acs.inorgchem.7b01072,Escherichia coli BL21(DE3),Homo sapiens,Ferritin heavy chain,1.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
3315,6XVY,X-RAY DIFFRACTION,2020-01-22,2020-04-08,,,,,6XVY,10.0,1.8,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3317,6XVY,X-RAY DIFFRACTION,2020-01-22,2020-04-08,,,,,6XVY,10.0,1.8,experimental,10.1074/jbc.RA120.013087,Escherichia coli,Homo sapiens,Myelin P2 protein,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
3334,6FBO,X-RAY DIFFRACTION,2017-12-19,2019-01-30,,,,,6FBO,13.0,1.8,experimental,10.1111/febs.14790,Escherichia coli BL21(DE3),Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,PPK,(DIPHOSPHONO)AMINOPHOSPHONIC ACID,N(P(=O)(O)O)P(=O)(O)OP(=O)(O)O,HSA,256.96799999999996
3337,6FBO,X-RAY DIFFRACTION,2017-12-19,2019-01-30,,,,,6FBO,13.0,1.8,experimental,10.1111/febs.14790,Escherichia coli BL21(DE3),Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
3338,6FBO,X-RAY DIFFRACTION,2017-12-19,2019-01-30,,,,,6FBO,13.0,1.8,experimental,10.1111/febs.14790,Escherichia coli BL21(DE3),Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
3343,6OHU,X-RAY DIFFRACTION,2019-04-06,2019-06-19,CTX,12.0,IC50,nM,6OHU,3.0,3.526,experimental,10.1038/s41467-019-10279-w,Homo sapiens,Homo sapiens,"3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase",1.0,CTX,"(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE",CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3,HSA,371.52400000000006
3345,7LAD,X-RAY DIFFRACTION,2021-01-06,2021-10-27,XRD,103.0,IC50,nM,7LAD,2.0,2.65,experimental,10.1021/jacs.1c07066,Escherichia coli,Homo sapiens,Cytochrome P450 3A5,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
3351,7X3Z,X-RAY DIFFRACTION,2022-03-01,2023-01-25,J3Z,109.0,IC50,nM,7X3Z,3.0,2.25,experimental,10.1016/j.jsbmb.2023.106246,Spodoptera frugiperda,Homo sapiens,17-beta-hydroxysteroid dehydrogenase type 1,1.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
3358,8S5U,ELECTRON MICROSCOPY,2024-02-26,2024-10-02,,,,,8S5U,2.0,3.28,experimental,10.1038/s41467-024-52872-8,Homo sapiens,Homo sapiens,Thiamine transporter 2,2.0,VIB,3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,HSA,265.36199999999997
3361,8Z1L,ELECTRON MICROSCOPY,2024-04-11,2024-07-31,,,,,8Z1L,2.0,3.4,experimental,10.1038/s41586-024-07719-z,Homo sapiens,Homo sapiens,Sodium-dependent noradrenaline transporter,1.0,A1LX4,(3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine,Cc1ccccc1OC(CCNC)c2ccccc2,HSA,255.361
3362,9JGZ,ELECTRON MICROSCOPY,2024-09-08,2025-05-07,,,,,9JGZ,22.0,2.74,experimental,10.1038/s41594-025-01542-4,Homo sapiens,Homo sapiens,Potassium channel subfamily K member 13,1.0,POV,(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,760.0909999999993
3363,9JGZ,ELECTRON MICROSCOPY,2024-09-08,2025-05-07,,,,,9JGZ,22.0,2.74,experimental,10.1038/s41594-025-01542-4,Homo sapiens,Homo sapiens,Potassium channel subfamily K member 13,1.0,EIC,LINOLEIC ACID,CCCCCC=CCC=CCCCCCCCC(=O)O,HSA,280.4519999999999
3364,9JGZ,ELECTRON MICROSCOPY,2024-09-08,2025-05-07,,,,,9JGZ,22.0,2.74,experimental,10.1038/s41594-025-01542-4,Homo sapiens,Homo sapiens,Potassium channel subfamily K member 13,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
3365,9JGZ,ELECTRON MICROSCOPY,2024-09-08,2025-05-07,,,,,9JGZ,22.0,2.74,experimental,10.1038/s41594-025-01542-4,Homo sapiens,Homo sapiens,Potassium channel subfamily K member 13,1.0,D21,(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,674.9409999999997
3369,1GSE,X-RAY DIFFRACTION,1995-06-09,1995-09-15,EAA,5000.0,IC50,nM,1GSE,8.0,2,experimental,10.1016/S0969-2126(01)00206-4,Escherichia coli,Homo sapiens,GLUTATHIONE TRANSFERASE,1.0,GSH,Glutathione,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N,HSA,307.32800000000003
3370,1GSE,X-RAY DIFFRACTION,1995-06-09,1995-09-15,EAA,5000.0,IC50,nM,1GSE,8.0,2,experimental,10.1016/S0969-2126(01)00206-4,Escherichia coli,Homo sapiens,GLUTATHIONE TRANSFERASE,1.0,EAA,ETHACRYNIC ACID,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,HSA,303.141
3372,3ZBF,X-RAY DIFFRACTION,2012-11-08,2013-06-12,VGH,4.099999905,Kd,nM,3ZBF,1.0,2.2,experimental,10.1056/NEJMOA1215530,Spodoptera frugiperda,Homo sapiens,PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS,1.0,VGH,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,HSA,450.3450000000002
3386,4QOJ,X-RAY DIFFRACTION,2014-06-20,2015-08-12,STL,20.93013,-TΔS,kJ/mol,4QOJ,6.0,1.85,experimental,,Escherichia coli,Homo sapiens,Ribosyldihydronicotinamide dehydrogenase [quinone],1.0,FMN,FLAVIN MONONUCLEOTIDE,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O,HSA,456.34800000000007
3399,8V6N,ELECTRON MICROSCOPY,2023-12-01,2024-04-17,,,,,8V6N,33.0,2.59,experimental,10.1126/sciadv.adn2453,Homo sapiens,Homo sapiens,Transient receptor potential cation channel subfamily V member 3,1.0,POV,(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,760.0909999999993
3400,8V6N,ELECTRON MICROSCOPY,2023-12-01,2024-04-17,,,,,8V6N,33.0,2.59,experimental,10.1126/sciadv.adn2453,Homo sapiens,Homo sapiens,Transient receptor potential cation channel subfamily V member 3,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
3401,8V6N,ELECTRON MICROSCOPY,2023-12-01,2024-04-17,,,,,8V6N,33.0,2.59,experimental,10.1126/sciadv.adn2453,Homo sapiens,Homo sapiens,Transient receptor potential cation channel subfamily V member 3,1.0,FZ4,2-aminoethyl diphenylborinate,B(c1ccccc1)(c2ccccc2)OCCN,HSA,225.09999999999997
3403,8WTY,ELECTRON MICROSCOPY,2023-10-19,2024-08-07,,,,,8WTY,1.0,3.2,experimental,10.1038/s41586-024-07638-z,Homo sapiens,Homo sapiens,Sodium-dependent noradrenaline transporter,1.0,XEF,Ziprasidone,c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5,HSA,412.9460000000001
3404,9CY3,ELECTRON MICROSCOPY,2024-08-01,2025-04-16,,,,,9CY3,1.0,3.2,experimental,10.1016/j.jbc.2025.108484,Escherichia coli,synthetic construct,Sybody 5,2.0,117,"7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID",CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4,HSA,558.6500000000002
3406,1LV2,X-RAY DIFFRACTION,2002-05-24,2002-12-18,,,,,1LV2,1.0,2.7,experimental,10.1016/S0969-2126(02)00829-8,Escherichia coli,Homo sapiens,Hepatocyte nuclear factor 4-gamma,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3408,2UUI,X-RAY DIFFRACTION,2007-03-02,2007-07-17,,,,,2UUI,21.0,2,experimental,10.1038/NATURE06009,Komagataella pastoris,Homo sapiens,LEUKOTRIENE C4 SYNTHASE,1.0,LMT,DODECYL-BETA-D-MALTOSIDE,CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O,HSA,510.6210000000002
3409,2UUI,X-RAY DIFFRACTION,2007-03-02,2007-07-17,,,,,2UUI,21.0,2,experimental,10.1038/NATURE06009,Komagataella pastoris,Homo sapiens,LEUKOTRIENE C4 SYNTHASE,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3411,3UCG,X-RAY DIFFRACTION,2011-10-26,2011-11-23,,,,,3UCG,5.0,1.95,experimental,,Escherichia coli,Homo sapiens,Polyadenylate-binding protein 2,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
3416,4C9W,X-RAY DIFFRACTION,2013-10-03,2014-04-02,,,,,4C9W,7.0,1.65,experimental,10.1038/NATURE13194,Escherichia coli BL21(DE3),Homo sapiens,"7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE",1.0,VGH,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,HSA,450.3450000000002
3418,4QZU,X-RAY DIFFRACTION,2014-07-28,2014-12-10,,,,,4QZU,10.0,1.5,experimental,10.1107/S1399004714023839,Escherichia coli,Homo sapiens,Retinol-binding protein 2,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
3423,6FCD,X-RAY DIFFRACTION,2017-12-20,2019-01-30,,,,,6FCD,10.0,1.7,experimental,10.1111/febs.14790,Escherichia coli BL21(DE3),Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
3424,6FCD,X-RAY DIFFRACTION,2017-12-20,2019-01-30,,,,,6FCD,10.0,1.7,experimental,10.1111/febs.14790,Escherichia coli BL21(DE3),Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
3425,6FCD,X-RAY DIFFRACTION,2017-12-20,2019-01-30,,,,,6FCD,10.0,1.7,experimental,10.1111/febs.14790,Escherichia coli BL21(DE3),Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,PPV,PYROPHOSPHATE,OP(=O)(O)OP(=O)(O)O,HSA,177.973
3428,6IMZ,X-RAY DIFFRACTION,2018-10-24,2019-10-30,,,,,6IMZ,7.0,2.1,experimental,,Escherichia coli,Homo sapiens,"7,8-dihydro-8-oxoguanine triphosphatase",1.0,VGH,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,HSA,450.3450000000002
3429,6IMZ,X-RAY DIFFRACTION,2018-10-24,2019-10-30,,,,,6IMZ,7.0,2.1,experimental,,Escherichia coli,Homo sapiens,"7,8-dihydro-8-oxoguanine triphosphatase",1.0,O4B,"1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE",C1COCCOCCOCCOCCOCCO1,HSA,264.3179999999999
3432,6MNC,X-RAY DIFFRACTION,2018-10-01,2019-04-03,J3Z,600.0,IC50,nM,6MNC,2.0,2.4,experimental,10.1111/febs.14784,Spodoptera frugiperda,Homo sapiens,Estradiol 17-beta-dehydrogenase 1,1.0,J3Z,"(9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one",CC12CCC3c4ccc(cc4CCC3C1CCC2=O)O,HSA,270.3719999999999
3439,6P9V,X-RAY DIFFRACTION,2019-06-10,2020-04-22,,,,,6P9V,4.0,2.051,experimental,10.1021/acschembio.9b00943,Escherichia coli BL21,Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
3442,6P9V,X-RAY DIFFRACTION,2019-06-10,2020-04-22,,,,,6P9V,4.0,2.051,experimental,10.1021/acschembio.9b00943,Escherichia coli BL21,Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,POP,PYROPHOSPHATE 2-,OP(=O)([O-])OP(=O)(O)[O-],HSA,175.957
3443,6WR1,X-RAY DIFFRACTION,2020-04-29,2021-05-05,AER,130.0,IC50,nM,6WR1,4.0,1.85,experimental,10.1016/j.jbc.2023.102999,Escherichia coli,Homo sapiens,"Steroid 17-alpha-hydroxylase/17,20 lyase",1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
3455,8BEM,X-RAY DIFFRACTION,2022-10-21,2022-11-09,,,,,8BEM,7.0,2.6,experimental,,Escherichia coli,Homo sapiens,STE20-like serine/threonine-protein kinase,1.0,AV9,TIVOZANIB,CC1=CC(=NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)NO1,HSA,454.87000000000023
3456,8Y92,ELECTRON MICROSCOPY,2024-02-06,2024-05-29,,,,,8Y92,5.0,3.29,experimental,10.1038/s41586-024-07437-6,Homo sapiens,Homo sapiens,Sodium-dependent noradrenaline transporter,1.0,A1LX4,(3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine,Cc1ccccc1OC(CCNC)c2ccccc2,HSA,255.361
3459,9FKN,ELECTRON MICROSCOPY,2024-06-03,2025-05-21,,,,,9FKN,1.0,3.4,experimental,10.1038/s41467-025-59751-w,Escherichia coli BL21(DE3),Vicugna pacos,ALFA-tag nanobody,2.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
3461,9G1T,X-RAY DIFFRACTION,2024-07-10,2025-02-26,,,,,9G1T,3.0,3,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3462,9G1T,X-RAY DIFFRACTION,2024-07-10,2025-02-26,,,,,9G1T,3.0,3,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,PAM,PALMITOLEIC ACID,CCCCCCC=CCCCCCCCC(=O)O,HSA,254.4139999999999
3463,9G1T,X-RAY DIFFRACTION,2024-07-10,2025-02-26,,,,,9G1T,3.0,3,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,A1IH0,"1-(4-chloranyl-3-fluoranyl-phenyl)-9-[(~{E})-3-phenylprop-2-enoyl]-1,9-diazaspiro[5.5]undecan-2-one",c1ccc(cc1)C=CC(=O)N2CCC3(CCCC(=O)N3c4ccc(c(c4)F)Cl)CC2,HSA,426.9190000000001
3468,6Q2J,ELECTRON MICROSCOPY,2019-08-08,2019-10-02,,,,,6Q2J,22.0,4.1,experimental,10.7554/eLife.47650,Homo sapiens,Homo sapiens,Proto-oncogene tyrosine-protein kinase receptor Ret,3.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
3471,1GSF,X-RAY DIFFRACTION,1995-06-09,1995-09-15,EAA,5000.0,IC50,nM,1GSF,4.0,2.7,experimental,10.1016/S0969-2126(01)00206-4,Escherichia coli,Homo sapiens,GLUTATHIONE TRANSFERASE A1-1,1.0,EAA,ETHACRYNIC ACID,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,HSA,303.141
3472,1HMR,X-RAY DIFFRACTION,1994-01-02,1995-05-08,,,,,1HMR,1.0,1.4,experimental,10.1016/S0969-2126(00)00052-6,Escherichia coli,Homo sapiens,MUSCLE FATTY ACID BINDING PROTEIN,1.0,ELA,Elaidic acid,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
3473,2WEK,X-RAY DIFFRACTION,2009-03-31,2009-12-15,,,,,2WEK,20.0,1.9,experimental,,Escherichia coli BL21(DE3),Homo sapiens,ZINC-BINDING ALCOHOL DEHYDROGENASE DOMAIN-CONTAINING PROTEIN 2,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
3474,2WEK,X-RAY DIFFRACTION,2009-03-31,2009-12-15,,,,,2WEK,20.0,1.9,experimental,,Escherichia coli BL21(DE3),Homo sapiens,ZINC-BINDING ALCOHOL DEHYDROGENASE DOMAIN-CONTAINING PROTEIN 2,1.0,DIF,"2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID",c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,HSA,296.153
3478,3APX,X-RAY DIFFRACTION,2010-10-21,2011-02-23,,,,,3APX,2.0,2.2,experimental,10.1074/jbc.M110.208926,Escherichia coli,Homo sapiens,Alpha-1-acid glycoprotein 2,1.0,Z80,"3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine",CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl,HSA,318.87300000000005
3480,3F78,X-RAY DIFFRACTION,2008-11-07,2009-06-23,,,,,3F78,7.0,1.6,experimental,10.1096/fj.09-129908,Escherichia coli,Homo sapiens,Integrin alpha-L,1.0,ICF,"1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER",C(C(F)(F)F)(OC(F)F)Cl,HSA,184.49099999999999
3483,3MJR,X-RAY DIFFRACTION,2010-04-13,2010-07-28,,,,,3MJR,7.0,2.1,experimental,10.1021/jm1005379,Escherichia coli,Homo sapiens,Deoxycytidine kinase,1.0,AC2,9-HYROXYETHOXYMETHYLGUANINE,c1nc2c(n1COCCO)N=C(NC2=O)N,HSA,225.208
3484,3MJR,X-RAY DIFFRACTION,2010-04-13,2010-07-28,,,,,3MJR,7.0,2.1,experimental,10.1021/jm1005379,Escherichia coli,Homo sapiens,Deoxycytidine kinase,1.0,UDP,URIDINE-5'-DIPHOSPHATE,C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O,HSA,404.16100000000006
3485,3RUK,X-RAY DIFFRACTION,2011-05-05,2012-01-25,AER,4.900000095,IC50,nM,3RUK,8.0,2.6,experimental,10.1038/nature10743,Escherichia coli,Homo sapiens,"Steroid 17-alpha-hydroxylase/17,20 lyase",1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
3496,3UZZ,X-RAY DIFFRACTION,2011-12-07,2012-03-21,,,,,3UZZ,5.0,1.82,experimental,10.1074/jbc.M111.338780,Escherichia coli,Homo sapiens,3-oxo-5-beta-steroid 4-dehydrogenase,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
3497,3UZZ,X-RAY DIFFRACTION,2011-12-07,2012-03-21,,,,,3UZZ,5.0,1.82,experimental,10.1074/jbc.M111.338780,Escherichia coli,Homo sapiens,3-oxo-5-beta-steroid 4-dehydrogenase,1.0,TES,TESTOSTERONE,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,HSA,288.43100000000004
3499,3UZZ,X-RAY DIFFRACTION,2011-12-07,2012-03-21,,,,,3UZZ,5.0,1.82,experimental,10.1074/jbc.M111.338780,Escherichia coli,Homo sapiens,3-oxo-5-beta-steroid 4-dehydrogenase,1.0,ASD,4-ANDROSTENE-3-17-DIONE,CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C,HSA,286.41499999999996
3500,3VHU,X-RAY DIFFRACTION,2011-09-07,2011-12-28,SNL,1.600000024,IC50,nM,3VHU,1.0,2.11,experimental,10.1021/jm2011645,Escherichia coli,Homo sapiens,Mineralocorticoid receptor,1.0,SNL,SPIRONOLACTONE,CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C,HSA,416.5830000000003
3513,4JCZ,X-RAY DIFFRACTION,2013-02-22,2014-01-01,,,,,4JCZ,9.0,2.75,experimental,10.1074/jbc.M113.534628,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,PAM,PALMITOLEIC ACID,CCCCCCC=CCCCCCCCC(=O)O,HSA,254.4139999999999
3514,4JCZ,X-RAY DIFFRACTION,2013-02-22,2014-01-01,,,,,4JCZ,9.0,2.75,experimental,10.1074/jbc.M113.534628,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3515,4JCZ,X-RAY DIFFRACTION,2013-02-22,2014-01-01,,,,,4JCZ,9.0,2.75,experimental,10.1074/jbc.M113.534628,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,GTX,S-HEXYLGLUTATHIONE,CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+],HSA,392.49800000000016
3516,4NKV,X-RAY DIFFRACTION,2013-11-13,2014-10-22,AER,48.0,IC50,nM,4NKV,8.0,2.646,experimental,10.1074/jbc.M114.610998,Escherichia coli,Homo sapiens,"Steroid 17-alpha-hydroxylase/17,20 lyase",1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
3531,4ZGA,X-RAY DIFFRACTION,2015-04-22,2015-10-14,4O3,500.0,IC50,nM,4ZGA,8.0,2.6,experimental,10.1124/mol.115.100404,Spodoptera frugiperda,Homo sapiens,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
3532,4ZGA,X-RAY DIFFRACTION,2015-04-22,2015-10-14,4O3,500.0,IC50,nM,4ZGA,8.0,2.6,experimental,10.1124/mol.115.100404,Spodoptera frugiperda,Homo sapiens,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,1.0,4O3,"(11aS)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione",c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5C(C3)C(=O)NC5=O,HSA,349.36500000000007
3533,5MAF,X-RAY DIFFRACTION,2016-11-03,2017-12-06,XIN,43.0,IC50,nM,5MAF,3.0,2.8,experimental,10.1126/science.aan4368,Spodoptera frugiperda,Homo sapiens,Maternal embryonic leucine zipper kinase,1.0,XIN,"methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate",CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5,HSA,539.6360000000003
3536,5ZLG,X-RAY DIFFRACTION,2018-03-27,2018-10-31,,,,,5ZLG,5.0,2.8,experimental,10.1038/s42003-018-0121-8,Escherichia coli,Homo sapiens,Cytochrome b reductase 1,1.0,ASC,ASCORBIC ACID,C(C(C1C(=C(C(=O)O1)O)O)O)O,HSA,176.124
3538,5ZLG,X-RAY DIFFRACTION,2018-03-27,2018-10-31,,,,,5ZLG,5.0,2.8,experimental,10.1038/s42003-018-0121-8,Escherichia coli,Homo sapiens,Cytochrome b reductase 1,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
3544,7FW5,X-RAY DIFFRACTION,2023-04-27,2023-06-14,,,,,7FW5,1.0,1.15,experimental,10.1107/S2059798325006096,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, adipocyte",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3545,7FXL,X-RAY DIFFRACTION,2023-04-27,2023-06-14,,,,,7FXL,1.0,1.12,experimental,10.1107/S2059798325006096,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, adipocyte",1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3546,7G1P,X-RAY DIFFRACTION,2023-04-27,2023-06-14,,,,,7G1P,2.0,1.28,experimental,10.1107/S2059798325006096,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, adipocyte",1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3547,7G1P,X-RAY DIFFRACTION,2023-04-27,2023-06-14,,,,,7G1P,2.0,1.28,experimental,10.1107/S2059798325006096,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, adipocyte",1.0,WPK,6-chloro-5-fluoro-1H-benzimidazole,c1c2c(cc(c1Cl)F)nc[nH]2,HSA,170.574
3548,8J2O,X-RAY DIFFRACTION,2023-04-14,2024-04-24,SO4,183000000.0,Ki,nM,8J2O,3.0,2.6,experimental,,Escherichia coli,Homo sapiens,Carbonic anhydrase 2,1.0,TF9,acetohexamide,CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,HSA,324.40200000000016
3553,8JEZ,ELECTRON MICROSCOPY,2023-05-16,2024-06-19,,,,,8JEZ,6.0,2.6,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,LBN,1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,760.0909999999993
3554,8JEZ,ELECTRON MICROSCOPY,2023-05-16,2024-06-19,,,,,8JEZ,6.0,2.6,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
3555,8JEZ,ELECTRON MICROSCOPY,2023-05-16,2024-06-19,,,,,8JEZ,6.0,2.6,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3556,8P14,X-RAY DIFFRACTION,2023-05-11,2024-05-22,,,,,8P14,5.0,2.57,experimental,10.1038/s44319-024-00167-w,Escherichia coli,Homo sapiens,Ubiquitin carboxyl-terminal hydrolase 28,1.0,VIS,2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide,CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)Nc2ccc(c(c2)c3ccccn3)Cl,HSA,421.30500000000006
3560,9L62,X-RAY DIFFRACTION,2024-12-23,2026-01-07,,,,,9L62,1.0,3.04,experimental,10.1038/s41467-026-68971-7,Homo sapiens,Homo sapiens,"Alpha-(1,6)-fucosyltransferase",1.0,XC9,1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine,c1cc(ccc1NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(cc2)Cl)Cl,HSA,505.45799999999997
3561,9ZD5,ELECTRON MICROSCOPY,2025-11-24,2026-03-04,,,,,9ZD5,20.0,2.2,experimental,,,Homo sapiens,Stomatin,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3562,9ZD5,ELECTRON MICROSCOPY,2025-11-24,2026-03-04,,,,,9ZD5,20.0,2.2,experimental,,,Homo sapiens,Stomatin,1.0,PLC,DIUNDECYL PHOSPHATIDYL CHOLINE,CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,HSA,622.8449999999999
3563,9ZD5,ELECTRON MICROSCOPY,2025-11-24,2026-03-04,,,,,9ZD5,20.0,2.2,experimental,,,Homo sapiens,Stomatin,1.0,S1P,"(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate",CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O,HSA,379.478
3564,1HMT,X-RAY DIFFRACTION,1994-01-02,1995-05-08,,,,,1HMT,1.0,1.4,experimental,10.1016/S0969-2126(00)00052-6,Escherichia coli,Homo sapiens,MUSCLE FATTY ACID BINDING PROTEIN,1.0,STE,STEARIC ACID,CCCCCCCCCCCCCCCCCC(=O)O,HSA,284.4839999999999
3565,2AB2,X-RAY DIFFRACTION,2005-07-14,2005-07-26,SNL,1.600000024,IC50,nM,2AB2,3.0,1.85,experimental,10.1074/jbc.M504098200,Escherichia coli BL21(DE3),Homo sapiens,Mineralocorticoid receptor,1.0,SNL,SPIRONOLACTONE,CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C,HSA,416.5830000000003
3576,2ZOX,X-RAY DIFFRACTION,2008-06-17,2008-09-30,,,,,2ZOX,9.0,1.9,experimental,10.1016/j.bbrc.2008.07.089,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,GLC,alpha-D-glucopyranose,C(C1C(C(C(C(O1)O)O)O)O)O,HSA,180.156
3577,2ZOX,X-RAY DIFFRACTION,2008-06-17,2008-09-30,,,,,2ZOX,9.0,1.9,experimental,10.1016/j.bbrc.2008.07.089,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,PNG,4-nitrophenyl alpha-D-glucopyranoside,c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O,HSA,301.251
3580,2ZOX,X-RAY DIFFRACTION,2008-06-17,2008-09-30,,,,,2ZOX,9.0,1.9,experimental,10.1016/j.bbrc.2008.07.089,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3581,2ZOX,X-RAY DIFFRACTION,2008-06-17,2008-09-30,,,,,2ZOX,9.0,1.9,experimental,10.1016/j.bbrc.2008.07.089,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
3583,3CMF,X-RAY DIFFRACTION,2008-03-21,2008-04-08,,,,,3CMF,4.0,1.9,experimental,10.1074/jbc.M801778200,Escherichia coli,Homo sapiens,3-oxo-5-beta-steroid 4-dehydrogenase,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
3584,3CMF,X-RAY DIFFRACTION,2008-03-21,2008-04-08,,,,,3CMF,4.0,1.9,experimental,10.1074/jbc.M801778200,Escherichia coli,Homo sapiens,3-oxo-5-beta-steroid 4-dehydrogenase,1.0,PDN,"17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE",CC12CC(=O)C3C(C1CCC2(C(=CO)O)O)CCC4=CC(=O)C=CC34C,HSA,358.4340000000001
3585,3P6H,X-RAY DIFFRACTION,2010-10-11,2011-04-13,,,,,3P6H,1.0,1.15,experimental,10.1107/S2053230X14027897,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, adipocyte",1.0,IBP,IBUPROFEN,CC(C)Cc1ccc(cc1)C(C)C(=O)O,HSA,206.28499999999997
3587,3SOM,X-RAY DIFFRACTION,2011-06-30,2011-07-27,,,,,3SOM,67.0,2.4,experimental,10.1021/bi300150y,Escherichia coli,Homo sapiens,Methylmalonic aciduria and homocystinuria type C protein,1.0,FLC,CITRATE ANION,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,HSA,189.099
3589,3SOM,X-RAY DIFFRACTION,2011-06-30,2011-07-27,,,,,3SOM,67.0,2.4,experimental,10.1021/bi300150y,Escherichia coli,Homo sapiens,Methylmalonic aciduria and homocystinuria type C protein,1.0,5AD,5'-DEOXYADENOSINE,CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,251.246
3593,4JRZ,X-RAY DIFFRACTION,2013-03-22,2014-01-01,,,,,4JRZ,11.0,2.4,experimental,10.1074/jbc.M113.534628,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,PAM,PALMITOLEIC ACID,CCCCCCC=CCCCCCCCC(=O)O,HSA,254.4139999999999
3594,4JRZ,X-RAY DIFFRACTION,2013-03-22,2014-01-01,,,,,4JRZ,11.0,2.4,experimental,10.1074/jbc.M113.534628,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3595,4JRZ,X-RAY DIFFRACTION,2013-03-22,2014-01-01,,,,,4JRZ,11.0,2.4,experimental,10.1074/jbc.M113.534628,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,GTX,S-HEXYLGLUTATHIONE,CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+],HSA,392.49800000000016
3596,6DE9,X-RAY DIFFRACTION,2018-05-11,2019-05-15,FUN,101900.0,IC50,nM,6DE9,2.0,1.95,experimental,10.1038/s42004-019-0172-x,Escherichia coli BL21(DE3),Homo sapiens,CDGSH iron-sulfur domain-containing protein 1,1.0,FES,FE2/S2 (INORGANIC) CLUSTER,S1[Fe]S[Fe]1,HSA,175.824
3602,6QGO,X-RAY DIFFRACTION,2019-01-12,2020-02-05,,,,,6QGO,1.0,2.599,experimental,10.1038/s41589-021-00753-2,Escherichia coli,Homo sapiens,Acyl-protein thioesterase 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3603,7ER9,X-RAY DIFFRACTION,2021-05-06,2022-01-19,TEI,1622.0,Kd,nM,7ER9,8.0,1.45,experimental,10.1021/acs.jmedchem.1c01664,Escherichia coli,Homo sapiens,Flavin reductase (NADPH),1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
3608,7FZK,X-RAY DIFFRACTION,2023-04-27,2023-06-14,,,,,7FZK,1.0,1.12,experimental,10.1107/S2059798325006096,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, adipocyte",1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3609,7O7J,X-RAY DIFFRACTION,2021-04-13,2021-11-24,,,,,7O7J,1.0,2.81,experimental,10.1038/s41467-021-26935-z,Spodoptera aff. frugiperda 1 BOLD-2017,Homo sapiens,Homeodomain-interacting protein kinase 3,1.0,6ZV,"N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py
rimidin-2-amine",CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F,HSA,506.6050000000003
3610,7Y13,ELECTRON MICROSCOPY,2022-06-06,2022-07-20,,,,,7Y13,7.0,3.1,experimental,10.1038/s42003-022-03668-3,Spodoptera frugiperda,"Escherichia coli, Homo sapiens","Soluble cytochrome b562,Mas-related G-protein coupled receptor member D",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3611,8A0U,X-RAY DIFFRACTION,2022-05-30,2022-08-17,,,,,8A0U,16.0,2.895,experimental,10.1002/cmdc.202200303,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,Transcriptional enhancer factor TEF-5,1.0,KMU,2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide,c1ccc(cc1)C2(Cc3c(ccc(c3c4ccccc4C(=O)N)Cl)O2)CN,HSA,378.85900000000015
3613,8A0U,X-RAY DIFFRACTION,2022-05-30,2022-08-17,,,,,8A0U,16.0,2.895,experimental,10.1002/cmdc.202200303,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,Transcriptional enhancer factor TEF-5,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3614,8HJE,X-RAY DIFFRACTION,2022-11-23,2023-05-03,,,,,8HJE,1.0,2.85,experimental,10.1016/j.ejmech.2023.115369,"Escherichia coli, Escherichia",Homo sapiens,Ubiquitin carboxyl-terminal hydrolase 28,1.0,VIS,2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide,CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)Nc2ccc(c(c2)c3ccccn3)Cl,HSA,421.30500000000006
3617,8Q26,X-RAY DIFFRACTION,2023-08-01,2024-08-14,,,,,8Q26,8.0,1.9,experimental,10.1016/j.str.2024.08.001,,synthetic construct,MYR-GLY-ASN-CYS-PHE-SER-LYS-PRO-ARG,2.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
3621,8QZ6,ELECTRON MICROSCOPY,2023-10-26,2024-11-13,,,,,8QZ6,6.0,3.2,experimental,10.1038/s41594-024-01414-3,Escherichia coli,Vicugna pacos,Nanobody-22,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3624,8Y93,ELECTRON MICROSCOPY,2024-02-06,2024-05-29,TP0,102.0,Ki,nM,8Y93,3.0,3,experimental,10.1038/s41586-024-07437-6,Homo sapiens,Homo sapiens,Sodium-dependent noradrenaline transporter,1.0,TP0,Amitriptyline,CN(C)CCC=C1c2ccccc2CCc3c1cccc3,HSA,277.41099999999994
3631,9G0U,X-RAY DIFFRACTION,2024-07-08,2025-02-26,,,,,9G0U,21.0,2.5,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3632,9G0U,X-RAY DIFFRACTION,2024-07-08,2025-02-26,,,,,9G0U,21.0,2.5,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,PAM,PALMITOLEIC ACID,CCCCCCC=CCCCCCCCC(=O)O,HSA,254.4139999999999
3633,9G0U,X-RAY DIFFRACTION,2024-07-08,2025-02-26,,,,,9G0U,21.0,2.5,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,LMT,DODECYL-BETA-D-MALTOSIDE,CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O,HSA,510.6210000000002
3634,9G0U,X-RAY DIFFRACTION,2024-07-08,2025-02-26,,,,,9G0U,21.0,2.5,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,A1IHJ,"(1~{S},2~{S})-2-[5-[[5-chloranyl-2,4-bis(fluoranyl)phenyl]-(2-fluoranyl-2-methyl-propyl)amino]-3-methoxy-pyrazin-2-yl]carbonylcyclopropane-1-carboxylic acid",CC(C)(CN(c1cc(c(cc1F)F)Cl)c2cnc(c(n2)OC)C(=O)C3CC3C(=O)O)F,HSA,457.8360000000002
3635,9G0V,X-RAY DIFFRACTION,2024-07-08,2025-02-26,,,,,9G0V,5.0,2.784,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3636,9G0V,X-RAY DIFFRACTION,2024-07-08,2025-02-26,,,,,9G0V,5.0,2.784,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,LMT,DODECYL-BETA-D-MALTOSIDE,CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O,HSA,510.6210000000002
3637,9G0V,X-RAY DIFFRACTION,2024-07-08,2025-02-26,,,,,9G0V,5.0,2.784,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,GSH,Glutathione,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N,HSA,307.32800000000003
3638,9G0V,X-RAY DIFFRACTION,2024-07-08,2025-02-26,,,,,9G0V,5.0,2.784,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,A1IHO,"1-[3,4-bis(fluoranyl)phenyl]-9-[6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one",c1cc(c(cc1N2C(=O)CCCC23CCN(CC3)c4cc(ncn4)OCC(F)(F)F)F)F,HSA,456.41499999999996
3639,1O6U,X-RAY DIFFRACTION,2002-10-16,2003-10-17,,,,,1O6U,3.0,2.05,experimental,10.1016/S0969-2126(02)00884-5,Escherichia coli BL21,Homo sapiens,SEC14-LIKE PROTEIN 2,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3641,1Z9Y,X-RAY DIFFRACTION,2005-04-05,2006-05-23,,,,,1Z9Y,4.0,1.66,experimental,,Escherichia coli,Homo sapiens,Carbonic anhydrase II,1.0,FUN,5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID,c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl,HSA,330.749
3642,1Z9Y,X-RAY DIFFRACTION,2005-04-05,2006-05-23,,,,,1Z9Y,4.0,1.66,experimental,,Escherichia coli,Homo sapiens,Carbonic anhydrase II,1.0,BE7,(4-CARBOXYPHENYL)(CHLORO)MERCURY,c1cc(ccc1C(=O)O)[Hg]Cl,HSA,357.158
3644,2AAX,X-RAY DIFFRACTION,2005-07-14,2005-07-26,,,,,2AAX,3.0,1.75,experimental,10.1074/jbc.M504098200,Escherichia coli BL21(DE3),Homo sapiens,Mineralocorticoid receptor,1.0,PDN,"17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE",CC12CC(=O)C3C(C1CCC2(C(=CO)O)O)CCC4=CC(=O)C=CC34C,HSA,358.4340000000001
3645,2AG9,X-RAY DIFFRACTION,2005-07-26,2005-10-25,,,,,2AG9,15.0,2.2,experimental,10.1021/bi050668w,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3647,2HMB,X-RAY DIFFRACTION,1992-09-11,1994-01-31,,,,,2HMB,1.0,2.1,experimental,,,Homo sapiens,MUSCLE FATTY ACID BINDING PROTEIN,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3649,2L98,SOLUTION NMR,2011-02-02,2011-03-30,,,,,2L98,3.0,,experimental,10.1021/bi101985j,Escherichia coli BL21(DE3),Homo sapiens,"Troponin C, slow skeletal and cardiac muscles",1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
3650,3HKU,X-RAY DIFFRACTION,2009-05-25,2009-10-13,,,,,3HKU,2.0,1.8,experimental,10.1021/jm900914e,Escherichia coli,Homo sapiens,Carbonic anhydrase 2,1.0,TOR,"[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate",CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C,HSA,339.36600000000004
3652,3LM5,X-RAY DIFFRACTION,2010-01-29,2010-03-16,,,,,3LM5,1.0,2.29,experimental,10.1021/acs.jmedchem.0c01174,Escherichia coli,Homo sapiens,Serine/threonine-protein kinase 17B,1.0,QUE,"3,5,7,3',4'-PENTAHYDROXYFLAVONE",c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,HSA,302.238
3653,3O19,X-RAY DIFFRACTION,2010-07-21,2010-09-22,,,,,3O19,2.0,1.66,experimental,,Escherichia coli,Homo sapiens,Prostaglandin-H2 D-isomerase,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
3654,3O19,X-RAY DIFFRACTION,2010-07-21,2010-09-22,,,,,3O19,2.0,1.66,experimental,,Escherichia coli,Homo sapiens,Prostaglandin-H2 D-isomerase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3657,3VKK,X-RAY DIFFRACTION,2011-11-17,2012-11-21,,,,,3VKK,9.0,2,experimental,,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3658,3VKK,X-RAY DIFFRACTION,2011-11-17,2012-11-21,,,,,3VKK,9.0,2,experimental,,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
3659,3VKK,X-RAY DIFFRACTION,2011-11-17,2012-11-21,,,,,3VKK,9.0,2,experimental,,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,MAN,alpha-D-mannopyranose,C(C1C(C(C(C(O1)O)O)O)O)O,HSA,180.156
3663,4JC7,X-RAY DIFFRACTION,2013-02-21,2014-01-01,,,,,4JC7,11.0,2.7,experimental,10.1074/jbc.M113.534628,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,PAM,PALMITOLEIC ACID,CCCCCCC=CCCCCCCCC(=O)O,HSA,254.4139999999999
3664,4JC7,X-RAY DIFFRACTION,2013-02-21,2014-01-01,,,,,4JC7,11.0,2.7,experimental,10.1074/jbc.M113.534628,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3665,4JC7,X-RAY DIFFRACTION,2013-02-21,2014-01-01,,,,,4JC7,11.0,2.7,experimental,10.1074/jbc.M113.534628,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,GTX,S-HEXYLGLUTATHIONE,CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+],HSA,392.49800000000016
3666,5TE0,X-RAY DIFFRACTION,2016-09-20,2016-11-02,XIN,63.0,Kd,nM,5TE0,10.0,1.9,experimental,,Escherichia coli,Homo sapiens,AP2-associated protein kinase 1,1.0,XIN,"methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate",CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5,HSA,539.6360000000003
3670,6BML,X-RAY DIFFRACTION,2017-11-15,2018-01-24,,,,,6BML,9.0,2.95,experimental,10.1126/science.aao6326,Komagataella pastoris,Homo sapiens,human DHHC20 palmitoyltransferase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3672,6BML,X-RAY DIFFRACTION,2017-11-15,2018-01-24,,,,,6BML,9.0,2.95,experimental,10.1126/science.aao6326,Komagataella pastoris,Homo sapiens,human DHHC20 palmitoyltransferase,1.0,PAP,3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N,HSA,507.18200000000013
3673,6FBP,X-RAY DIFFRACTION,2017-12-19,2019-01-30,,,,,6FBP,12.0,1.65,experimental,10.1111/febs.14790,Escherichia coli BL21(DE3),Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
3674,6FBP,X-RAY DIFFRACTION,2017-12-19,2019-01-30,,,,,6FBP,12.0,1.65,experimental,10.1111/febs.14790,Escherichia coli BL21(DE3),Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,PPK,(DIPHOSPHONO)AMINOPHOSPHONIC ACID,N(P(=O)(O)O)P(=O)(O)OP(=O)(O)O,HSA,256.96799999999996
3679,6FBP,X-RAY DIFFRACTION,2017-12-19,2019-01-30,,,,,6FBP,12.0,1.65,experimental,10.1111/febs.14790,Escherichia coli BL21(DE3),Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
3681,7G0X,X-RAY DIFFRACTION,2023-04-27,2023-06-14,,,,,7G0X,2.0,1.48,experimental,10.1107/S2059798325006096,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, adipocyte",1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3682,7KC6,X-RAY DIFFRACTION,2020-10-05,2021-10-06,803,2400.0,IC50,nM,7KC6,4.0,1.85,experimental,,Escherichia coli K-12,Homo sapiens,Integrin alpha-L,1.0,803,LOVASTATIN,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,HSA,404.54700000000025
3684,9EOT,ELECTRON MICROSCOPY,2024-03-15,2024-11-13,,,,,9EOT,6.0,3.02,experimental,10.1038/s41594-024-01414-3,Escherichia coli,Vicugna pacos,Nanobody-02,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3706,5OOB,X-RAY DIFFRACTION,2017-08-07,2017-11-15,,,,,5OOB,4.0,2.79,experimental,10.1038/s41467-017-01402-w,,Homo sapiens,Negative elongation factor E,3.0,MGT,7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE,CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,HSA,539.2240000000002
3710,2FR3,X-RAY DIFFRACTION,2006-01-18,2006-09-19,REA,200.0,Kd,nM,2FR3,2.0,1.48,experimental,10.1016/j.jmb.2006.08.059,Escherichia coli,Homo sapiens,Cellular retinoic acid binding protein 2,1.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
3712,2KQD,SOLUTION NMR,2009-11-04,2010-01-19,,,,,2KQD,3.0,,experimental,10.1038/nsmb.1747,Escherichia coli,Homo sapiens,Aprataxin and PNK-like factor,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
3713,2KQD,SOLUTION NMR,2009-11-04,2010-01-19,,,,,2KQD,3.0,,experimental,10.1038/nsmb.1747,Escherichia coli,Homo sapiens,Aprataxin and PNK-like factor,1.0,RIB,alpha-D-ribofuranose,C(C1C(C(C(O1)O)O)O)O,HSA,150.13
3714,2NOA,X-RAY DIFFRACTION,2006-10-25,2007-02-13,,,,,2NOA,4.0,1.8,experimental,10.1093/nar/gkl1038,Escherichia coli,Homo sapiens,deoxycytidine kinase,1.0,ADP,ADENOSINE-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N,HSA,427.2030000000001
3715,2NOA,X-RAY DIFFRACTION,2006-10-25,2007-02-13,,,,,2NOA,4.0,1.8,experimental,10.1093/nar/gkl1038,Escherichia coli,Homo sapiens,deoxycytidine kinase,1.0,3TC,"4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE",C1C(OC(S1)CO)N2C=CC(=NC2=O)N,HSA,229.261
3717,2UUH,X-RAY DIFFRACTION,2007-03-02,2007-07-17,,,,,2UUH,11.0,2.15,experimental,10.1038/NATURE06009,Komagataella pastoris,Homo sapiens,LEUKOTRIENE C4 SYNTHASE,1.0,LMU,DODECYL-ALPHA-D-MALTOSIDE,CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O,HSA,510.6210000000002
3718,2UUH,X-RAY DIFFRACTION,2007-03-02,2007-07-17,,,,,2UUH,11.0,2.15,experimental,10.1038/NATURE06009,Komagataella pastoris,Homo sapiens,LEUKOTRIENE C4 SYNTHASE,1.0,GSH,Glutathione,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N,HSA,307.32800000000003
3719,2UUH,X-RAY DIFFRACTION,2007-03-02,2007-07-17,,,,,2UUH,11.0,2.15,experimental,10.1038/NATURE06009,Komagataella pastoris,Homo sapiens,LEUKOTRIENE C4 SYNTHASE,1.0,PAM,PALMITOLEIC ACID,CCCCCCC=CCCCCCCCC(=O)O,HSA,254.4139999999999
3720,2UUH,X-RAY DIFFRACTION,2007-03-02,2007-07-17,,,,,2UUH,11.0,2.15,experimental,10.1038/NATURE06009,Komagataella pastoris,Homo sapiens,LEUKOTRIENE C4 SYNTHASE,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3722,2Y05,X-RAY DIFFRACTION,2010-11-30,2011-01-26,,,,,2Y05,20.0,2.2,experimental,,Escherichia coli BL21(DE3),Homo sapiens,PROSTAGLANDIN REDUCTASE 1,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
3723,2Y05,X-RAY DIFFRACTION,2010-11-30,2011-01-26,,,,,2Y05,20.0,2.2,experimental,,Escherichia coli BL21(DE3),Homo sapiens,PROSTAGLANDIN REDUCTASE 1,1.0,RAL,RALOXIFENE,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O,HSA,473.5940000000004
3726,2YDX,X-RAY DIFFRACTION,2011-03-25,2011-04-27,,,,,2YDX,35.0,2.8,experimental,10.1042/BJ20121580,Escherichia coli BL21(DE3),Homo sapiens,METHIONINE ADENOSYLTRANSFERASE 2 SUBUNIT BETA,1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
3727,2YDX,X-RAY DIFFRACTION,2011-03-25,2011-04-27,,,,,2YDX,35.0,2.8,experimental,10.1042/BJ20121580,Escherichia coli BL21(DE3),Homo sapiens,METHIONINE ADENOSYLTRANSFERASE 2 SUBUNIT BETA,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
3730,2YDX,X-RAY DIFFRACTION,2011-03-25,2011-04-27,,,,,2YDX,35.0,2.8,experimental,10.1042/BJ20121580,Escherichia coli BL21(DE3),Homo sapiens,METHIONINE ADENOSYLTRANSFERASE 2 SUBUNIT BETA,1.0,TXP,"1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE",c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CC=CC(C5)C(=O)N)O)O)O)OP(=O)(O)O)N,HSA,747.4410000000004
3731,3BUR,X-RAY DIFFRACTION,2008-01-03,2008-04-01,,,,,3BUR,14.0,1.62,experimental,10.1074/jbc.M801778200,Escherichia coli,Homo sapiens,3-oxo-5-beta-steroid 4-dehydrogenase,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
3732,3BUR,X-RAY DIFFRACTION,2008-01-03,2008-04-01,,,,,3BUR,14.0,1.62,experimental,10.1074/jbc.M801778200,Escherichia coli,Homo sapiens,3-oxo-5-beta-steroid 4-dehydrogenase,1.0,TES,TESTOSTERONE,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,HSA,288.43100000000004
3734,3EIG,X-RAY DIFFRACTION,2008-09-15,2009-05-26,MTX,0.1949840039,Kd,nM,3EIG,10.0,1.7,experimental,10.1074/jbc.M109.018010,Escherichia coli,Homo sapiens,Dihydrofolate reductase,1.0,MTX,METHOTREXATE,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,HSA,454.44700000000023
3806,4DL5,X-RAY DIFFRACTION,2012-02-05,2012-05-09,,,,,4DL5,4.0,2.92,experimental,10.1073/pnas.1202681109,,,DNA (5'-D(P*TP*AP*GP*TP*GP*TP*GP*AP*C)-3'),3.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
3809,4DL6,X-RAY DIFFRACTION,2012-02-05,2012-05-09,,,,,4DL6,4.0,2.5,experimental,10.1073/pnas.1202681109,,,DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*CP*C)-3'),3.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
3812,4EEY,X-RAY DIFFRACTION,2012-03-28,2012-05-09,,,,,4EEY,3.0,2.32,experimental,10.1038/nsmb.2295,,,5'-D(*TP*GP*GP*AP*GP*GP*AP*GP*A)-3',3.0,DCP,2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE,C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,HSA,467.15700000000004
3815,4H2F,X-RAY DIFFRACTION,2012-09-12,2012-11-28,,,,,4H2F,4.0,1.85,experimental,10.1016/j.str.2012.10.001,Escherichia coli,Homo sapiens,5'-nucleotidase,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
3819,4QOH,X-RAY DIFFRACTION,2014-06-20,2015-07-01,STL,913.0,IC50,nM,4QOH,7.0,1.6,experimental,,Escherichia coli,Homo sapiens,Ribosyldihydronicotinamide dehydrogenase [quinone],1.0,FAD,FLAVIN-ADENINE DINUCLEOTIDE,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O,HSA,785.5570000000001
3830,4TKB,X-RAY DIFFRACTION,2014-05-26,2015-01-28,,,,,4TKB,3.0,0.86,experimental,10.1002/anie.201409830,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
3831,4TKB,X-RAY DIFFRACTION,2014-05-26,2015-01-28,,,,,4TKB,3.0,0.86,experimental,10.1002/anie.201409830,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,HSA,282.3329999999999
3833,4ZVM,X-RAY DIFFRACTION,2015-05-18,2016-03-30,,,,,4ZVM,6.0,1.973,experimental,10.1021/acs.biochem.5b00884,Escherichia coli BL21(DE3),Homo sapiens,Ribosyldihydronicotinamide dehydrogenase [quinone],1.0,FAD,FLAVIN-ADENINE DINUCLEOTIDE,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O,HSA,785.5570000000001
3834,4ZVM,X-RAY DIFFRACTION,2015-05-18,2016-03-30,,,,,4ZVM,6.0,1.973,experimental,10.1021/acs.biochem.5b00884,Escherichia coli BL21(DE3),Homo sapiens,Ribosyldihydronicotinamide dehydrogenase [quinone],1.0,DM2,DOXORUBICIN,CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,HSA,543.5250000000003
3835,5B28,X-RAY DIFFRACTION,2016-01-12,2017-01-18,,,,,5B28,2.0,0.9,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3836,5B28,X-RAY DIFFRACTION,2016-01-12,2017-01-18,,,,,5B28,2.0,0.9,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,1PE,PENTAETHYLENE GLYCOL,C(COCCOCCOCCOCCO)O,HSA,238.27999999999994
3837,5B29,X-RAY DIFFRACTION,2016-01-12,2017-01-18,,,,,5B29,1.0,1.28,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3845,6J5Z,X-RAY DIFFRACTION,2019-01-12,2019-09-25,,,,,6J5Z,3.0,1.3,experimental,10.1038/s41467-019-12710-8,Escherichia coli,Homo sapiens,Histidine triad nucleotide-binding protein 1,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
3847,6M89,X-RAY DIFFRACTION,2018-08-21,2019-01-23,QUE,2300.0,IC50,nM,6M89,1.0,1.85,experimental,10.1021/acs.jmedchem.8b01593,Escherichia coli,Homo sapiens,"Inositol polyphosphate multikinase,Inositol polyphosphate multikinase",1.0,QUE,"3,5,7,3',4'-PENTAHYDROXYFLAVONE",c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,HSA,302.238
3848,6U1U,X-RAY DIFFRACTION,2019-08-16,2019-10-09,,,,,6U1U,1.0,1.75,experimental,,Escherichia coli K-12,Homo sapiens,Angiopoietin-related protein 4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3849,6U73,X-RAY DIFFRACTION,2019-08-31,2019-10-09,,,,,6U73,1.0,2.38,experimental,,Escherichia coli K-12,Homo sapiens,Angiopoietin-related protein 4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
3850,7ER8,X-RAY DIFFRACTION,2021-05-06,2022-01-19,SAS,3.279649973,-TΔS,kJ/mol,7ER8,9.0,1.45,experimental,10.1021/acs.jmedchem.1c01664,Escherichia coli,Homo sapiens,Flavin reductase (NADPH),1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
3855,7WJ1,X-RAY DIFFRACTION,2022-01-05,2023-01-25,,,,,7WJ1,2.0,0.86,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
3856,7WJ1,X-RAY DIFFRACTION,2022-01-05,2023-01-25,,,,,7WJ1,2.0,0.86,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,HSA,282.3329999999999
3857,7WOM,X-RAY DIFFRACTION,2022-01-21,2023-01-25,,,,,7WOM,1.0,0.9,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,EPA,"5,8,11,14,17-EICOSAPENTAENOIC ACID",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,302.458
3859,7Y14,ELECTRON MICROSCOPY,2022-06-06,2022-07-20,,,,,7Y14,5.0,3.2,experimental,10.1038/s42003-022-03668-3,Spodoptera frugiperda,"Escherichia coli, Homo sapiens","Soluble cytochrome b562,Mas-related G-protein coupled receptor member D",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3860,8ZP2,ELECTRON MICROSCOPY,2024-05-29,2024-09-11,,,,,8ZP2,5.0,2.4,experimental,10.1038/s41422-024-01024-0,Escherichia coli,Lama glama,Nb_BB4,2.0,A1LX4,(3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine,Cc1ccccc1OC(CCNC)c2ccccc2,HSA,255.361
3866,9G14,X-RAY DIFFRACTION,2024-07-09,2025-02-26,,,,,9G14,23.0,2.24,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,GSH,Glutathione,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N,HSA,307.32800000000003
3867,9G14,X-RAY DIFFRACTION,2024-07-09,2025-02-26,,,,,9G14,23.0,2.24,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3868,9G14,X-RAY DIFFRACTION,2024-07-09,2025-02-26,,,,,9G14,23.0,2.24,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,PAM,PALMITOLEIC ACID,CCCCCCC=CCCCCCCCC(=O)O,HSA,254.4139999999999
3869,9G14,X-RAY DIFFRACTION,2024-07-09,2025-02-26,,,,,9G14,23.0,2.24,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,LMT,DODECYL-BETA-D-MALTOSIDE,CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O,HSA,510.6210000000002
3870,9G14,X-RAY DIFFRACTION,2024-07-09,2025-02-26,,,,,9G14,23.0,2.24,experimental,10.1021/acs.jmedchem.4c02897,Pichia,Homo sapiens,Leukotriene C4 synthase,1.0,A1IHS,"1-(phenylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one",c1ccc(cc1)CN2C(=O)CCCC23CCN(CC3)c4cnc5ccccc5n4,HSA,386.499
3873,1BX4,X-RAY DIFFRACTION,1998-10-13,1999-10-13,,,,,1BX4,7.0,1.5,experimental,10.1021/bi9815445,Escherichia coli,Homo sapiens,PROTEIN (ADENOSINE KINASE),1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
3874,1JUJ,X-RAY DIFFRACTION,2001-08-24,2001-09-19,LYA,340.0,Ki,nM,1JUJ,8.0,3,experimental,10.1006/jmbi.2001.5074,Escherichia coli,Homo sapiens,THYMIDYLATE SYNTHASE,1.0,UMP,2'-DEOXYURIDINE 5'-MONOPHOSPHATE,C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,HSA,308.183
3891,1MA0,X-RAY DIFFRACTION,2002-07-30,2002-08-02,,,,,1MA0,12.0,2.3,experimental,10.1021/bi0257639,Escherichia coli,Homo sapiens,Glutathione-dependent formaldehyde dehydrogenase,1.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
3892,1MA0,X-RAY DIFFRACTION,2002-07-30,2002-08-02,,,,,1MA0,12.0,2.3,experimental,10.1021/bi0257639,Escherichia coli,Homo sapiens,Glutathione-dependent formaldehyde dehydrogenase,1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
3893,1U72,X-RAY DIFFRACTION,2004-08-02,2005-02-01,MTX,6.0,IC50,nM,1U72,2.0,1.9,experimental,10.1107/S0907444904030422,Escherichia coli,Homo sapiens,Dihydrofolate reductase,1.0,NDP,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,HSA,745.4250000000004
3961,2G78,X-RAY DIFFRACTION,2006-02-27,2007-04-17,REA,200.0,Kd,nM,2G78,2.0,1.7,experimental,10.1021/ja067546r,Escherichia coli,Homo sapiens,Cellular retinoic acid-binding protein 2,1.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
3964,2HNX,X-RAY DIFFRACTION,2006-07-13,2006-11-28,,,,,2HNX,4.0,1.5,experimental,10.1107/S1744309106038656,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, adipocyte",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3966,2WD9,X-RAY DIFFRACTION,2009-03-21,2009-04-21,,,,,2WD9,5.0,2.6,experimental,10.1016/J.JMB.2009.03.064,Trichoplusia ni,Homo sapiens,"ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL",1.0,IBP,IBUPROFEN,CC(C)Cc1ccc(cc1)C(C)C(=O)O,HSA,206.28499999999997
3968,3LEO,X-RAY DIFFRACTION,2010-01-15,2010-10-27,,,,,3LEO,15.0,2.1,experimental,10.1074/jbc.M110.105940,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,PAM,PALMITOLEIC ACID,CCCCCCC=CCCCCCCCC(=O)O,HSA,254.4139999999999
3969,3LEO,X-RAY DIFFRACTION,2010-01-15,2010-10-27,,,,,3LEO,15.0,2.1,experimental,10.1074/jbc.M110.105940,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3972,3LEO,X-RAY DIFFRACTION,2010-01-15,2010-10-27,,,,,3LEO,15.0,2.1,experimental,10.1074/jbc.M110.105940,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,GSH,Glutathione,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N,HSA,307.32800000000003
3973,3LEO,X-RAY DIFFRACTION,2010-01-15,2010-10-27,,,,,3LEO,15.0,2.1,experimental,10.1074/jbc.M110.105940,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,LMT,DODECYL-BETA-D-MALTOSIDE,CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O,HSA,510.6210000000002
3975,3O2Y,X-RAY DIFFRACTION,2010-07-23,2010-09-22,,,,,3O2Y,5.0,1.7,experimental,,Escherichia coli,Homo sapiens,Prostaglandin-H2 D-isomerase,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
3976,3O2Y,X-RAY DIFFRACTION,2010-07-23,2010-09-22,,,,,3O2Y,5.0,1.7,experimental,,Escherichia coli,Homo sapiens,Prostaglandin-H2 D-isomerase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
3978,4V2O,X-RAY DIFFRACTION,2014-10-13,2015-12-09,,,,,4V2O,2.0,2.13,experimental,10.1002/CMDC.201500494,Escherichia coli,Homo sapiens,SAPOSIN-B,1.0,CLQ,"N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE",CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)Cl,HSA,319.88
3979,4WBK,X-RAY DIFFRACTION,2014-09-03,2015-01-28,,,,,4WBK,1.0,1.37,experimental,10.1021/jp510384f,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, heart",1.0,STE,STEARIC ACID,CCCCCCCCCCCCCCCCCC(=O)O,HSA,284.4839999999999
3981,5A1I,X-RAY DIFFRACTION,2015-04-30,2016-03-09,,,,,5A1I,11.0,1.09,experimental,10.1073/PNAS.1510959113,Escherichia coli BL21,Homo sapiens,S-ADENOSYLMETHIONINE SYNTHASE ISOFORM TYPE-2,1.0,PPK,(DIPHOSPHONO)AMINOPHOSPHONIC ACID,N(P(=O)(O)O)P(=O)(O)OP(=O)(O)O,HSA,256.96799999999996
3984,5A1I,X-RAY DIFFRACTION,2015-04-30,2016-03-09,,,,,5A1I,11.0,1.09,experimental,10.1073/PNAS.1510959113,Escherichia coli BL21,Homo sapiens,S-ADENOSYLMETHIONINE SYNTHASE ISOFORM TYPE-2,1.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
3985,5A1I,X-RAY DIFFRACTION,2015-04-30,2016-03-09,,,,,5A1I,11.0,1.09,experimental,10.1073/PNAS.1510959113,Escherichia coli BL21,Homo sapiens,S-ADENOSYLMETHIONINE SYNTHASE ISOFORM TYPE-2,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
3988,5A1I,X-RAY DIFFRACTION,2015-04-30,2016-03-09,,,,,5A1I,11.0,1.09,experimental,10.1073/PNAS.1510959113,Escherichia coli BL21,Homo sapiens,S-ADENOSYLMETHIONINE SYNTHASE ISOFORM TYPE-2,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
3989,5MQT,X-RAY DIFFRACTION,2016-12-20,2017-11-22,,,,,5MQT,9.0,3.2,experimental,10.1038/s41467-017-01582-5,Escherichia coli,Homo sapiens,Deoxycytidine kinase,1.0,UDP,URIDINE-5'-DIPHOSPHATE,C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O,HSA,404.16100000000006
3990,5MQT,X-RAY DIFFRACTION,2016-12-20,2017-11-22,,,,,5MQT,9.0,3.2,experimental,10.1038/s41467-017-01582-5,Escherichia coli,Homo sapiens,Deoxycytidine kinase,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
3992,5MQT,X-RAY DIFFRACTION,2016-12-20,2017-11-22,,,,,5MQT,9.0,3.2,experimental,10.1038/s41467-017-01582-5,Escherichia coli,Homo sapiens,Deoxycytidine kinase,1.0,DCM,2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE,C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,HSA,307.19899999999996
3993,6MNE,X-RAY DIFFRACTION,2018-10-01,2019-04-03,J3Z,3.0,Ki,nM,6MNE,5.0,1.86,experimental,10.1111/febs.14784,Spodoptera frugiperda,Homo sapiens,Estradiol 17-beta-dehydrogenase 1,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
4002,6Q36,X-RAY DIFFRACTION,2018-12-03,2019-07-03,,,,,6Q36,6.0,2.01,experimental,10.1016/j.bmcl.2019.06.022,,synthetic construct,ACE-PRO-6CW-ARG-LEU-ARG-LYS-2JH-HYP-ASP-SER-PHE-ALN-LYS-GLU-PRO-NH2,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
4004,6RVZ,X-RAY DIFFRACTION,2019-06-03,2020-05-20,,,,,6RVZ,6.0,2.1,experimental,10.1126/science.aba9763,Spodoptera frugiperda,Homo sapiens,Protein angel homolog 2,1.0,KL2,"adenosine-2',3'-vanadate",c1nc(c2c(n1)n(cn2)C3C4C(C(O3)CO)O[V](O4)(O)(O)O)N,HSA,367.1940000000001
4006,6RVZ,X-RAY DIFFRACTION,2019-06-03,2020-05-20,,,,,6RVZ,6.0,2.1,experimental,10.1126/science.aba9763,Spodoptera frugiperda,Homo sapiens,Protein angel homolog 2,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
4008,7FDT,X-RAY DIFFRACTION,2021-07-17,2022-07-20,,,,,7FDT,2.0,0.86,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,ELA,Elaidic acid,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
4009,7FDT,X-RAY DIFFRACTION,2021-07-17,2022-07-20,,,,,7FDT,2.0,0.86,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,HSA,282.3329999999999
4010,7FYH,X-RAY DIFFRACTION,2023-04-27,2023-06-14,,,,,7FYH,3.0,1.34,experimental,10.1107/S2059798325006096,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, adipocyte",1.0,FBB,"6-fluoro-1,3-benzothiazol-2-amine",c1cc2c(cc1F)sc(n2)N,HSA,168.196
4012,7FYH,X-RAY DIFFRACTION,2023-04-27,2023-06-14,,,,,7FYH,3.0,1.34,experimental,10.1107/S2059798325006096,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, adipocyte",1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
4014,7LH2,ELECTRON MICROSCOPY,2021-01-21,2021-08-25,,,,,7LH2,4.0,3.43,experimental,10.1016/j.cell.2021.07.034,Homo sapiens,Homo sapiens,Prestin,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
4017,7V2G,X-RAY DIFFRACTION,2021-08-09,2022-08-10,,,,,7V2G,3.0,0.98,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4018,7V2G,X-RAY DIFFRACTION,2021-08-09,2022-08-10,,,,,7V2G,3.0,0.98,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,HSA,282.3329999999999
4019,8A0V,X-RAY DIFFRACTION,2022-05-30,2022-08-17,,,,,8A0V,19.0,2.699,experimental,10.1002/cmdc.202200303,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,Transcriptional enhancer factor TEF-5,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
4021,8A0V,X-RAY DIFFRACTION,2022-05-30,2022-08-17,,,,,8A0V,19.0,2.699,experimental,10.1002/cmdc.202200303,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,Transcriptional enhancer factor TEF-5,1.0,KNE,[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine,c1ccc(cc1)C2(Cc3cc(ccc3O2)Cl)CN,HSA,259.736
4023,8AXZ,X-RAY DIFFRACTION,2022-09-01,2022-10-05,,,,,8AXZ,9.0,1.154,experimental,,Escherichia coli,Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
4026,8AXZ,X-RAY DIFFRACTION,2022-09-01,2022-10-05,,,,,8AXZ,9.0,1.154,experimental,,Escherichia coli,Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
4029,8AXZ,X-RAY DIFFRACTION,2022-09-01,2022-10-05,,,,,8AXZ,9.0,1.154,experimental,,Escherichia coli,Homo sapiens,S-adenosylmethionine synthase isoform type-2,1.0,PPK,(DIPHOSPHONO)AMINOPHOSPHONIC ACID,N(P(=O)(O)O)P(=O)(O)OP(=O)(O)O,HSA,256.96799999999996
4030,8C17,X-RAY DIFFRACTION,2022-12-20,2023-03-15,,,,,8C17,3.0,2.25,experimental,10.1021/acschembio.2c00936,,synthetic construct,Stapled peptide,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
4032,8JF1,ELECTRON MICROSCOPY,2023-05-16,2024-05-22,,,,,8JF1,8.0,2.85,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4033,8JF1,ELECTRON MICROSCOPY,2023-05-16,2024-05-22,,,,,8JF1,8.0,2.85,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
4034,8JF1,ELECTRON MICROSCOPY,2023-05-16,2024-05-22,,,,,8JF1,8.0,2.85,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
4035,8JF1,ELECTRON MICROSCOPY,2023-05-16,2024-05-22,,,,,8JF1,8.0,2.85,experimental,10.1038/s41467-024-49899-2,Homo sapiens,Homo sapiens,Solute carrier family 23 member 1,1.0,Y01,CHOLESTEROL HEMISUCCINATE,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C,HSA,486.73700000000036
4037,8Q3T,X-RAY DIFFRACTION,2023-08-04,2024-08-14,,,,,8Q3T,9.0,1.96,experimental,10.1016/j.str.2024.08.001,,synthetic construct,MYR-GLY-ASN-CYS-PHE-SER-LYS-PRO-ARG-VAL-PRO,2.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
4042,9MDF,X-RAY DIFFRACTION,2024-12-05,2025-12-10,,,,,9MDF,10.0,2.1,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Prostaglandin reductase 1,1.0,IMN,INDOMETHACIN,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,HSA,357.7930000000001
4043,9MDF,X-RAY DIFFRACTION,2024-12-05,2025-12-10,,,,,9MDF,10.0,2.1,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Prostaglandin reductase 1,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
4045,9R10,ELECTRON MICROSCOPY,2025-04-24,2025-11-05,,,,,9R10,10.0,3.3,experimental,10.1038/s41467-025-64490-z,Escherichia coli,synthetic construct,Light chain of Fab,3.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
4048,1CBS,X-RAY DIFFRACTION,1994-09-28,1995-01-26,REA,200.0,Kd,nM,1CBS,1.0,1.8,experimental,10.1016/S0969-2126(94)00125-1,Escherichia coli BL21(DE3),Homo sapiens,CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II,1.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
4049,1DLS,X-RAY DIFFRACTION,1995-01-25,1995-04-20,MTX,35.0,IC50,nM,1DLS,2.0,2.3,experimental,10.1074/jbc.270.10.5057,,Homo sapiens,DIHYDROFOLATE REDUCTASE,1.0,NDP,NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,HSA,745.4250000000004
4142,1TJJ,X-RAY DIFFRACTION,2004-06-04,2004-12-07,,,,,1TJJ,22.0,2,experimental,10.1016/j.jmb.2004.07.063,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,EPE,4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID,C1CN(CCN1CCO)CCS(=O)(=O)O,HSA,238.309
4143,1TJJ,X-RAY DIFFRACTION,2004-06-04,2004-12-07,,,,,1TJJ,22.0,2,experimental,10.1016/j.jmb.2004.07.063,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,PFS,(2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate,CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C,HSA,523.6920000000002
4144,1TJJ,X-RAY DIFFRACTION,2004-06-04,2004-12-07,,,,,1TJJ,22.0,2,experimental,10.1016/j.jmb.2004.07.063,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,LPE,1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE,CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)O,HSA,510.7170000000002
4146,1TJJ,X-RAY DIFFRACTION,2004-06-04,2004-12-07,,,,,1TJJ,22.0,2,experimental,10.1016/j.jmb.2004.07.063,Escherichia coli BL21(DE3),Homo sapiens,Ganglioside GM2 activator,1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
4147,2E9L,X-RAY DIFFRACTION,2007-01-25,2007-09-11,,,,,2E9L,7.0,1.6,experimental,10.1074/jbc.M700832200,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,BGC,beta-D-glucopyranose,C(C1C(C(C(C(O1)O)O)O)O)O,HSA,180.156
4148,2E9L,X-RAY DIFFRACTION,2007-01-25,2007-09-11,,,,,2E9L,7.0,1.6,experimental,10.1074/jbc.M700832200,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4149,2E9L,X-RAY DIFFRACTION,2007-01-25,2007-09-11,,,,,2E9L,7.0,1.6,experimental,10.1074/jbc.M700832200,Escherichia coli,Homo sapiens,Cytosolic beta-glucosidase,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
4151,2KQE,SOLUTION NMR,2009-11-04,2010-01-19,,,,,2KQE,3.0,,experimental,10.1038/nsmb.1747,Escherichia coli,Homo sapiens,Aprataxin and PNK-like factor,1.0,RIB,alpha-D-ribofuranose,C(C1C(C(C(O1)O)O)O)O,HSA,150.13
4152,2KQE,SOLUTION NMR,2009-11-04,2010-01-19,,,,,2KQE,3.0,,experimental,10.1038/nsmb.1747,Escherichia coli,Homo sapiens,Aprataxin and PNK-like factor,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
4154,2NO6,X-RAY DIFFRACTION,2006-10-25,2007-07-03,,,,,2NO6,4.0,1.9,experimental,10.1021/jm0700215,Escherichia coli,Homo sapiens,deoxycytidine kinase,1.0,ETV,"4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE",C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F,HSA,247.25099999999998
4155,2NO6,X-RAY DIFFRACTION,2006-10-25,2007-07-03,,,,,2NO6,4.0,1.9,experimental,10.1021/jm0700215,Escherichia coli,Homo sapiens,deoxycytidine kinase,1.0,ADP,ADENOSINE-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N,HSA,427.2030000000001
4158,3APV,X-RAY DIFFRACTION,2010-10-21,2011-02-23,,,,,3APV,3.0,2.15,experimental,10.1074/jbc.M110.208926,Escherichia coli,Homo sapiens,Alpha-1-acid glycoprotein 2,1.0,TP0,Amitriptyline,CN(C)CCC=C1c2ccccc2CCc3c1cccc3,HSA,277.41099999999994
4160,3CWK,X-RAY DIFFRACTION,2008-04-22,2008-09-09,REA,200.0,Kd,nM,3CWK,2.0,1.6,experimental,10.1107/S0907444908032216,Escherichia coli,Homo sapiens,Cellular retinoic acid-binding protein 2,1.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
4162,3O22,X-RAY DIFFRACTION,2010-07-22,2010-09-22,,,,,3O22,4.0,1.4,experimental,,Escherichia coli,Homo sapiens,Prostaglandin-H2 D-isomerase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4163,3O22,X-RAY DIFFRACTION,2010-07-22,2010-09-22,,,,,3O22,4.0,1.4,experimental,,Escherichia coli,Homo sapiens,Prostaglandin-H2 D-isomerase,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
4164,3WVM,X-RAY DIFFRACTION,2014-05-25,2015-01-28,,,,,3WVM,3.0,0.88,experimental,10.1002/anie.201409830,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,STE,STEARIC ACID,CCCCCCCCCCCCCCCCCC(=O)O,HSA,284.4839999999999
4165,3WVM,X-RAY DIFFRACTION,2014-05-25,2015-01-28,,,,,3WVM,3.0,0.88,experimental,10.1002/anie.201409830,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,HSA,282.3329999999999
4166,3WXQ,X-RAY DIFFRACTION,2014-08-04,2014-11-05,,,,,3WXQ,1.0,1.6,experimental,10.1038/nmeth.3172,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, heart",1.0,STE,STEARIC ACID,CCCCCCCCCCCCCCCCCC(=O)O,HSA,284.4839999999999
4167,4FGL,X-RAY DIFFRACTION,2012-06-04,2013-03-13,,,,,4FGL,13.0,1.2,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Ribosyldihydronicotinamide dehydrogenase [quinone],1.0,FAD,FLAVIN-ADENINE DINUCLEOTIDE,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O,HSA,785.5570000000001
4168,4FGL,X-RAY DIFFRACTION,2012-06-04,2013-03-13,,,,,4FGL,13.0,1.2,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Ribosyldihydronicotinamide dehydrogenase [quinone],1.0,CLQ,"N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE",CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)Cl,HSA,319.88
4171,4H2G,X-RAY DIFFRACTION,2012-09-12,2012-11-28,,,,,4H2G,5.0,1.55,experimental,10.1016/j.str.2012.10.001,Escherichia coli,Homo sapiens,5'-nucleotidase,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
4174,4J7X,X-RAY DIFFRACTION,2013-02-14,2014-02-19,,,,,4J7X,26.0,2.6,experimental,,Escherichia coli,Homo sapiens,Sepiapterin reductase,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
4176,4J7X,X-RAY DIFFRACTION,2013-02-14,2014-02-19,,,,,4J7X,26.0,2.6,experimental,,Escherichia coli,Homo sapiens,Sepiapterin reductase,1.0,SAS,2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3ccc(c(c3)C(=O)O)O,HSA,398.40000000000015
4179,5B27,X-RAY DIFFRACTION,2016-01-12,2017-01-18,,,,,5B27,2.0,1.02,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4180,5B27,X-RAY DIFFRACTION,2016-01-12,2017-01-18,,,,,5B27,2.0,1.02,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
4186,6HXS,X-RAY DIFFRACTION,2018-10-18,2019-10-30,,,,,6HXS,6.0,2.05,experimental,,Escherichia coli,Homo sapiens,Mono [ADP-ribose] polymerase PARP16,1.0,CNA,CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2CC(C(C2O)O)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)C(=O)N,HSA,662.4659999999999
4187,6HXS,X-RAY DIFFRACTION,2018-10-18,2019-10-30,,,,,6HXS,6.0,2.05,experimental,,Escherichia coli,Homo sapiens,Mono [ADP-ribose] polymerase PARP16,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
4196,8Q2Z,X-RAY DIFFRACTION,2023-08-03,2024-08-14,,,,,8Q2Z,11.0,1.88,experimental,10.1016/j.str.2024.08.001,synthetic construct,unidentified,GNLLSKFR,2.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
4201,8Q3S,X-RAY DIFFRACTION,2023-08-04,2024-08-14,,,,,8Q3S,10.0,1.78,experimental,10.1016/j.str.2024.08.001,synthetic construct,unidentified,GLY-ASN-CYS-PHE-SER-LYS-ALA-ARG,2.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
4208,9MDH,X-RAY DIFFRACTION,2024-12-05,2025-12-10,,,,,9MDH,35.0,2.3,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Prostaglandin reductase 1,1.0,IMN,INDOMETHACIN,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,HSA,357.7930000000001
4209,9MDH,X-RAY DIFFRACTION,2024-12-05,2025-12-10,,,,,9MDH,35.0,2.3,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Prostaglandin reductase 1,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
4210,9MDH,X-RAY DIFFRACTION,2024-12-05,2025-12-10,,,,,9MDH,35.0,2.3,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Prostaglandin reductase 1,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
4227,4LNX,X-RAY DIFFRACTION,2013-07-12,2014-03-19,T3,0.3300000131,Ki,nM,4LNX,2.0,2.05,experimental,10.1210/me.2013-1359,Escherichia coli,Homo sapiens,Thyroid hormone receptor alpha,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
4249,5GLI,X-RAY DIFFRACTION,2016-07-11,2016-09-07,,,,,5GLI,8.0,2.5,experimental,10.1038/nature19319,Spodoptera frugiperda,Homo sapiens,Endothelin Receptor Subtype-B,1.0,OLC,"(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O,HSA,356.547
4250,5GLI,X-RAY DIFFRACTION,2016-07-11,2016-09-07,,,,,5GLI,8.0,2.5,experimental,10.1038/nature19319,Spodoptera frugiperda,Homo sapiens,Endothelin Receptor Subtype-B,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
4251,8XVJ,ELECTRON MICROSCOPY,2024-01-15,2024-08-28,,,,,8XVJ,1.0,3.26,experimental,10.1038/s41421-024-00705-9,Spodoptera frugiperda,"Acetivibrio thermocellus ATCC 27405, Homo sapiens, Escherichia coli","Endoglucanase H,Endothelin-1 receptor,Soluble cytochrome b562",4.0,A1D5I,Macitentan,CCCNS(=O)(=O)Nc1c(c(ncn1)OCCOc2ncc(cn2)Br)c3ccc(cc3)Br,HSA,588.2820000000002
4263,1PQ2,X-RAY DIFFRACTION,2003-06-17,2004-01-13,,,,,1PQ2,5.0,2.7,experimental,10.1074/jbc.M312516200,Escherichia coli,Homo sapiens,Cytochrome P450 2C8,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4264,1PQ2,X-RAY DIFFRACTION,2003-06-17,2004-01-13,,,,,1PQ2,5.0,2.7,experimental,10.1074/jbc.M312516200,Escherichia coli,Homo sapiens,Cytochrome P450 2C8,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
4266,2NNJ,X-RAY DIFFRACTION,2006-10-24,2007-10-23,,,,,2NNJ,6.0,2.28,experimental,10.1074/jbc.M802180200,Escherichia coli,Homo sapiens,Cytochrome P450 2C8,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
4267,2NNJ,X-RAY DIFFRACTION,2006-10-24,2007-10-23,,,,,2NNJ,6.0,2.28,experimental,10.1074/jbc.M802180200,Escherichia coli,Homo sapiens,Cytochrome P450 2C8,1.0,225,FELODIPINE,CCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC)C)C,HSA,384.2590000000001
4268,2NNJ,X-RAY DIFFRACTION,2006-10-24,2007-10-23,,,,,2NNJ,6.0,2.28,experimental,10.1074/jbc.M802180200,Escherichia coli,Homo sapiens,Cytochrome P450 2C8,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4269,2OAX,X-RAY DIFFRACTION,2006-12-18,2007-08-14,SNL,11.0,IC50,nM,2OAX,6.0,2.29,experimental,10.1124/mol.107.036459,Escherichia coli,Homo sapiens,Mineralocorticoid receptor,1.0,SNL,SPIRONOLACTONE,CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C,HSA,416.5830000000003
4285,4TKH,X-RAY DIFFRACTION,2014-05-26,2015-01-28,,,,,4TKH,2.0,0.93,experimental,10.1002/anie.201409830,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, heart",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,HSA,282.3329999999999
4286,4TKH,X-RAY DIFFRACTION,2014-05-26,2015-01-28,,,,,4TKH,2.0,0.93,experimental,10.1002/anie.201409830,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, heart",1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
4287,5AAB,X-RAY DIFFRACTION,2015-07-23,2016-06-08,VGH,220.0,IC50,nM,5AAB,1.0,2.2,experimental,10.1056/NEJMOA1508887,Spodoptera frugiperda,Homo sapiens,ALK TYROSINE KINASE RECEPTOR,1.0,VGH,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,HSA,450.3450000000002
4378,5W7C,X-RAY DIFFRACTION,2017-06-19,2018-01-03,,,,,5W7C,18.0,2.23,experimental,10.1073/pnas.1719834115,Spodoptera frugiperda,Homo sapiens,Acyloxyacyl hydrolase,2.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
4382,5X66,X-RAY DIFFRACTION,2017-02-21,2017-06-28,MTX,3600.0,IC50,nM,5X66,12.0,1.99,experimental,10.1074/jbc.M117.787267,Escherichia coli,Homo sapiens,Thymidylate synthase,1.0,UMP,2'-DEOXYURIDINE 5'-MONOPHOSPHATE,C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,HSA,308.183
4388,5Y80,X-RAY DIFFRACTION,2017-08-18,2018-08-29,IRE,7.0,Kd,nM,5Y80,2.0,2.5,experimental,10.1002/open.201800177,Escherichia coli,Lama glama,NANOBODY,2.0,IRE,Gefitinib,COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F,HSA,446.91
4391,6BRX,X-RAY DIFFRACTION,2017-12-01,2018-08-22,,,,,6BRX,11.0,2.8,experimental,10.1016/j.jmb.2018.04.023,,synthetic construct,DNA (5'-D(*TP*AP*TP*GP*GP*TP*GP*TP*AP*TP*GP*TP*A)-3'),3.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
4395,6BS1,X-RAY DIFFRACTION,2017-12-01,2018-08-22,,,,,6BS1,19.0,3.15,experimental,10.1016/j.jmb.2018.04.023,,synthetic construct,DNA (5'-D(*TP*AP*CP*TP*GP*GP*TP*AP*TP*GP*TP*AP*T)-3'),3.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
4399,7FZQ,X-RAY DIFFRACTION,2023-04-27,2023-06-14,,,,,7FZQ,3.0,1.597,experimental,10.1107/S2059798325006096,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, heart",1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
4401,7VSI,ELECTRON MICROSCOPY,2021-10-26,2021-12-15,7R3,3.099999905,IC50,nM,7VSI,3.0,2.95,experimental,10.1038/s41586-021-04212-9,Homo sapiens,Homo sapiens,PDZK1-interacting protein 1,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4403,8PKN,ELECTRON MICROSCOPY,2023-06-27,2025-01-15,,,,,8PKN,1.0,2.26,experimental,10.1107/S2053230X25001098,Escherichia coli,Homo sapiens,3-hydroxy-3-methylglutaryl-coenzyme A reductase,1.0,117,"7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID",CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4,HSA,558.6500000000002
4404,8WM0,X-RAY DIFFRACTION,2023-10-01,2024-03-27,,,,,8WM0,1.0,2.8,experimental,10.1021/jacs.3c12037,,synthetic construct,THIOPEPTIDE wTP3,2.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
4406,9LJG,ELECTRON MICROSCOPY,2025-01-15,2025-12-03,,,,,9LJG,28.0,2.64,experimental,10.1038/s41586-025-09934-8,Homo sapiens,Homo sapiens,Organic solute transporter subunit beta,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4412,2C0J,X-RAY DIFFRACTION,2005-09-03,2006-02-07,,,,,2C0J,1.0,2.2,experimental,10.1111/J.1600-0854.2005.00352.X,Escherichia coli,Homo sapiens,R32611_2,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4414,3S3G,X-RAY DIFFRACTION,2011-05-18,2012-04-04,TLT,2390.0,IC50,nM,3S3G,2.0,1.8,experimental,10.1016/j.febslet.2011.11.023,Escherichia coli,Homo sapiens,Aldose reductase,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
4415,3S3G,X-RAY DIFFRACTION,2011-05-18,2012-04-04,TLT,2390.0,IC50,nM,3S3G,2.0,1.8,experimental,10.1016/j.febslet.2011.11.023,Escherichia coli,Homo sapiens,Aldose reductase,1.0,TLT,Tolmetin,Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O,HSA,257.289
4416,4AL0,X-RAY DIFFRACTION,2012-02-29,2013-02-06,,,,,4AL0,6.0,1.16,experimental,10.1073/PNAS.1218504110,Spodoptera frugiperda,Homo sapiens,PROSTAGLANDIN E SYNTHASE,1.0,BOG,octyl beta-D-glucopyranoside,CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O,HSA,292.372
4417,4AL0,X-RAY DIFFRACTION,2012-02-29,2013-02-06,,,,,4AL0,6.0,1.16,experimental,10.1073/PNAS.1218504110,Spodoptera frugiperda,Homo sapiens,PROSTAGLANDIN E SYNTHASE,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4418,4AL0,X-RAY DIFFRACTION,2012-02-29,2013-02-06,,,,,4AL0,6.0,1.16,experimental,10.1073/PNAS.1218504110,Spodoptera frugiperda,Homo sapiens,PROSTAGLANDIN E SYNTHASE,1.0,GSH,Glutathione,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N,HSA,307.32800000000003
4419,4AL1,X-RAY DIFFRACTION,2012-02-29,2013-02-06,,,,,4AL1,5.0,1.95,experimental,10.1073/PNAS.1218504110,Spodoptera frugiperda,Homo sapiens,PROSTAGLANDIN E SYNTHASE,1.0,BOG,octyl beta-D-glucopyranoside,CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O,HSA,292.372
4420,4AL1,X-RAY DIFFRACTION,2012-02-29,2013-02-06,,,,,4AL1,5.0,1.95,experimental,10.1073/PNAS.1218504110,Spodoptera frugiperda,Homo sapiens,PROSTAGLANDIN E SYNTHASE,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4422,4AL1,X-RAY DIFFRACTION,2012-02-29,2013-02-06,,,,,4AL1,5.0,1.95,experimental,10.1073/PNAS.1218504110,Spodoptera frugiperda,Homo sapiens,PROSTAGLANDIN E SYNTHASE,1.0,48T,L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine,c1ccc(cc1)c2ccc(cc2)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,HSA,501.56100000000026
4434,4TKJ,X-RAY DIFFRACTION,2014-05-26,2015-01-28,,,,,4TKJ,4.0,0.87,experimental,10.1002/anie.201409830,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, heart",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4435,4TKJ,X-RAY DIFFRACTION,2014-05-26,2015-01-28,,,,,4TKJ,4.0,0.87,experimental,10.1002/anie.201409830,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, heart",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,HSA,282.3329999999999
4436,4TKJ,X-RAY DIFFRACTION,2014-05-26,2015-01-28,,,,,4TKJ,4.0,0.87,experimental,10.1002/anie.201409830,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, heart",1.0,GLP,2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose,C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O,HSA,259.15099999999995
4437,5AAA,X-RAY DIFFRACTION,2015-07-23,2016-06-08,VGH,366.0,IC50,nM,5AAA,1.0,1.73,experimental,10.1056/NEJMOA1508887,Spodoptera frugiperda,Homo sapiens,ALK TYROSINE KINASE RECEPTOR,1.0,VGH,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,HSA,450.3450000000002
4532,5OPC,X-RAY DIFFRACTION,2017-08-09,2017-10-18,A1Z,29000.0,IC50,nM,5OPC,12.0,2.3,experimental,10.1039/c7sc02103h,Escherichia coli,Homo sapiens,Hypoxia-inducible factor 1-alpha inhibitor,1.0,A1Z,Vadadustat,c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O,HSA,306.70500000000004
4533,6QGS,X-RAY DIFFRACTION,2019-01-12,2020-02-05,,,,,6QGS,3.0,2.755,experimental,10.1038/s41589-021-00753-2,Escherichia coli,Homo sapiens,Acyl-protein thioesterase 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4535,6VXH,ELECTRON MICROSCOPY,2020-02-21,2020-05-13,STI,500.0,IC50,nM,6VXH,3.0,4,experimental,10.1038/s41467-020-16155-2,Homo sapiens,Homo sapiens,Broad substrate specificity ATP-binding cassette transporter ABCG2,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
4541,7FCG,X-RAY DIFFRACTION,2021-07-14,2022-07-20,,,,,7FCG,3.0,1.19,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,IMN,INDOMETHACIN,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,HSA,357.7930000000001
4542,7FCG,X-RAY DIFFRACTION,2021-07-14,2022-07-20,,,,,7FCG,3.0,1.19,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,HSA,282.3329999999999
4543,7OWU,X-RAY DIFFRACTION,2021-06-18,2022-12-21,,,,,7OWU,9.0,2.08,experimental,10.1016/j.jmb.2022.167843,,Homo sapiens,ALA-ASN-CYS-PHE-SER-LYS-PRO-ARG,2.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
4546,8PYV,X-RAY DIFFRACTION,2023-07-26,2023-10-25,,,,,8PYV,3.0,1.77,experimental,10.1038/s42004-023-01014-0,Spodoptera frugiperda,Homo sapiens,Prostaglandin E synthase,1.0,48T,L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine,c1ccc(cc1)c2ccc(cc2)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,HSA,501.56100000000026
4547,8PYV,X-RAY DIFFRACTION,2023-07-26,2023-10-25,,,,,8PYV,3.0,1.77,experimental,10.1038/s42004-023-01014-0,Spodoptera frugiperda,Homo sapiens,Prostaglandin E synthase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4552,2VN0,X-RAY DIFFRACTION,2008-01-30,2008-04-29,,,,,2VN0,3.0,2.7,experimental,10.1074/jbc.M802180200,Escherichia coli DH5[alpha],Homo sapiens,CYTOCHROME P450 2C8,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
4553,2VN0,X-RAY DIFFRACTION,2008-01-30,2008-04-29,,,,,2VN0,3.0,2.7,experimental,10.1074/jbc.M802180200,Escherichia coli DH5[alpha],Homo sapiens,CYTOCHROME P450 2C8,1.0,TDZ,"(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE",Cc1c(c2c(c(c1O)C)CCC(O2)(C)COc3ccc(cc3)CC4C(=O)NC(=O)S4)C,HSA,441.5490000000001
4554,2VN0,X-RAY DIFFRACTION,2008-01-30,2008-04-29,,,,,2VN0,3.0,2.7,experimental,10.1074/jbc.M802180200,Escherichia coli DH5[alpha],Homo sapiens,CYTOCHROME P450 2C8,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4555,2XP2,X-RAY DIFFRACTION,2010-08-24,2010-09-15,VGH,22840.0,EC50,nM,2XP2,1.0,1.9,experimental,10.1021/JM2007613,Spodoptera frugiperda,Homo sapiens,TYROSINE-PROTEIN KINASE RECEPTOR,1.0,VGH,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,HSA,450.3450000000002
4640,3KXC,X-RAY DIFFRACTION,2009-12-02,2010-04-21,,,,,3KXC,1.0,2,experimental,10.1007/s00018-010-0358-y,Escherichia coli,Homo sapiens,Trafficking protein particle complex subunit 6B,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4642,4ANS,X-RAY DIFFRACTION,2012-03-22,2013-03-27,VGH,1540.0,IC50,nM,4ANS,1.0,1.85,experimental,,Spodoptera frugiperda,Homo sapiens,ALK TYROSINE KINASE RECEPTOR,1.0,VGH,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,HSA,450.3450000000002
4727,4DL4,X-RAY DIFFRACTION,2012-02-05,2012-05-09,,,,,4DL4,5.0,2,experimental,10.1073/pnas.1202681109,,,DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*AP*G)-3'),3.0,0KX,2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine,C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O,HSA,466.173
4734,5AAC,X-RAY DIFFRACTION,2015-07-23,2016-06-08,VGH,20.0,IC50,nM,5AAC,1.0,1.7,experimental,10.1056/NEJMOA1508887,Spodoptera frugiperda,Homo sapiens,ALK TYROSINE KINASE RECEPTOR,1.0,VGH,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,HSA,450.3450000000002
4819,5AYF,X-RAY DIFFRACTION,2015-08-20,2016-04-27,C7H,15000.0,Ki,nM,5AYF,3.0,2.005,experimental,10.1021/acs.jmedchem.5b01732,,Homo sapiens,Histone-lysine N-methyltransferase SETD7,1.0,SAM,S-ADENOSYLMETHIONINE,C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O,HSA,398.4450000000001
4824,6AQ1,X-RAY DIFFRACTION,2017-08-18,2018-06-13,,,,,6AQ1,6.0,1.40000091,experimental,10.1016/j.ejmech.2018.04.050,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4828,6HGL,X-RAY DIFFRACTION,2018-08-23,2019-05-29,,,,,6HGL,1.0,1.92,experimental,10.1016/j.jsb.2019.05.006,Escherichia coli BL21(DE3),Homo sapiens,Alpha-1-antichymotrypsin,2.0,TES,TESTOSTERONE,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,HSA,288.43100000000004
4833,7N7O,X-RAY DIFFRACTION,2021-06-10,2021-06-30,LQQ,208.0,IC50,nM,7N7O,3.0,2.7,experimental,10.1073/pnas.2002486118,Escherichia coli,Homo sapiens,Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha,1.0,LQQ,"6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE",CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C,HSA,447.5430000000004
4839,7SB5,ELECTRON MICROSCOPY,2021-09-23,2022-05-04,,,,,7SB5,34.0,4.2,experimental,10.1126/sciadv.abn2911,,Homo sapiens,Human polyclonal Fab model with polyalanine backbone - Heavy chain,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
4841,7VRI,X-RAY DIFFRACTION,2021-10-23,2023-02-01,,,,,7VRI,1.0,1.5,experimental,10.1107/S2059798323005211,Escherichia coli BL21(DE3),Homo sapiens,Bromodomain-containing protein 2,1.0,AC2,9-HYROXYETHOXYMETHYLGUANINE,c1nc2c(n1COCCO)N=C(NC2=O)N,HSA,225.208
4842,8GOF,ELECTRON MICROSCOPY,2022-08-24,2022-10-05,LYA,138.0,IC50,nM,8GOF,1.0,3,experimental,10.1038/s41586-022-05452-z,Spodoptera frugiperda,Homo sapiens,Reduced folate transporter,1.0,LYA,"2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID",c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O,HSA,427.4170000000002
4845,8HLJ,X-RAY DIFFRACTION,2022-11-30,2024-05-01,09L,1.0,IC50,nM,8HLJ,2.0,2.24,experimental,10.1016/j.bioorg.2025.108471,Escherichia coli,Homo sapiens,Poly [ADP-ribose] polymerase 2,1.0,09L,4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one,c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F,HSA,434.4710000000003
4868,8Z36,X-RAY DIFFRACTION,2024-04-14,2024-11-27,,,,,8Z36,3.0,2.63,experimental,10.1021/acschembio.4c00541,Escherichia coli,Homo sapiens,E3 ubiquitin-protein ligase RNF31,1.0,SRE,"(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine",CNC1CCC(c2c1cccc2)c3ccc(c(c3)Cl)Cl,HSA,306.236
4871,5XPR,X-RAY DIFFRACTION,2017-06-04,2017-08-16,K86,102.0,Ki,nM,5XPR,5.0,3.6,experimental,10.1038/nsmb.3450,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Endothelin B receptor,Endolysin,Endothelin B receptor",1.0,K86,4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide,CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC,HSA,551.6250000000002
4881,6K1Q,X-RAY DIFFRACTION,2019-05-11,2019-07-17,D2U,1.0,Ki,nM,6K1Q,13.0,2.7,experimental,10.1038/s42003-019-0482-7,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Endothelin B receptor,Endolysin,Endothelin B receptor",1.0,D2U,"(2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid",Cc1cc(cc(c1)C(=O)N(C)C(Cc2ccc(cc2)c3ccccc3)C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)O)C,HSA,573.6930000000002
4884,6UYG,X-RAY DIFFRACTION,2019-11-13,2020-04-22,,,,,6UYG,2.0,3.375,experimental,10.1126/sciadv.aaz6225,Escherichia coli,Streptococcus sp.,Immunoglobulin G-binding protein G,6.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
4891,3R58,X-RAY DIFFRACTION,2011-03-18,2012-03-28,NPS,180.0,IC50,nM,3R58,6.0,2.3,experimental,10.1371/journal.pone.0043965,Escherichia coli BL21(DE3),Homo sapiens,Aldo-keto reductase family 1 member C3,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
4897,5X93,X-RAY DIFFRACTION,2017-03-05,2017-08-16,,,,,5X93,18.0,2.2,experimental,10.1038/nsmb.3450,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Endothelin B receptor,Endolysin,Endothelin B receptor",1.0,K87,"3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-N-(2,6-dimethylphenyl)propanamide",Cc1cccc(c1NC(=O)CCOc2c(c(nc(n2)c3ncccn3)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)Oc5ccccc5OC)C,HSA,682.803
4898,5X93,X-RAY DIFFRACTION,2017-03-05,2017-08-16,,,,,5X93,18.0,2.2,experimental,10.1038/nsmb.3450,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Endothelin B receptor,Endolysin,Endothelin B receptor",1.0,OLC,"(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O,HSA,356.547
4899,5X93,X-RAY DIFFRACTION,2017-03-05,2017-08-16,,,,,5X93,18.0,2.2,experimental,10.1038/nsmb.3450,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Endothelin B receptor,Endolysin,Endothelin B receptor",1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
4901,6IGL,X-RAY DIFFRACTION,2018-09-25,2018-11-21,,,,,6IGL,8.0,2.7,experimental,10.1038/s41467-018-07094-0,,Homo sapiens,IRL1620,2.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
4915,4ANQ,X-RAY DIFFRACTION,2012-03-21,2013-03-27,VGH,0.7400000095,Ki,nM,4ANQ,1.0,1.76,experimental,10.1021/JM401805H,Spodoptera frugiperda,Homo sapiens,ALK TYROSINE KINASE RECEPTOR,1.0,VGH,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,HSA,450.3450000000002
5001,4O8Z,X-RAY DIFFRACTION,2013-12-31,2015-04-22,BBI,3250.0,EC50,nM,4O8Z,2.0,2,experimental,,Escherichia coli BL21,Homo sapiens,"NAD-dependent protein deacetylase sirtuin-3, mitochondrial",1.0,BBI,"(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone",CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I,HSA,645.3190000000002
5002,5MVS,X-RAY DIFFRACTION,2017-01-17,2017-03-22,ADN,100000.0,IC50,nM,5MVS,5.0,2.18,experimental,10.1021/acsmedchemlett.6b00519,Escherichia coli,Homo sapiens,"Histone-lysine N-methyltransferase, H3 lysine-79 specific",1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
5003,5MVS,X-RAY DIFFRACTION,2017-01-17,2017-03-22,ADN,100000.0,IC50,nM,5MVS,5.0,2.18,experimental,10.1021/acsmedchemlett.6b00519,Escherichia coli,Homo sapiens,"Histone-lysine N-methyltransferase, H3 lysine-79 specific",1.0,5JJ,"N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine",CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl,HSA,370.283
5004,5MVS,X-RAY DIFFRACTION,2017-01-17,2017-03-22,ADN,100000.0,IC50,nM,5MVS,5.0,2.18,experimental,10.1021/acsmedchemlett.6b00519,Escherichia coli,Homo sapiens,"Histone-lysine N-methyltransferase, H3 lysine-79 specific",1.0,TLA,L(+)-TARTARIC ACID,C(C(C(=O)O)O)(C(=O)O)O,HSA,150.08599999999998
5005,5O9V,X-RAY DIFFRACTION,2017-06-20,2018-06-27,,,,,5O9V,11.0,2.201,experimental,10.1038/s41589-018-0077-5,,Homo sapiens,Apoptosis-inducing factor 3,2.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
5009,7AB1,X-RAY DIFFRACTION,2020-09-05,2020-10-28,,,,,7AB1,6.0,1.93,experimental,10.1042/BCJ20200735,Escherichia coli BL21(DE3),Homo sapiens,Tyrosine-protein kinase Mer,1.0,C6F,6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide,CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5,HSA,552.7240000000004
5012,7FC4,X-RAY DIFFRACTION,2021-07-13,2022-07-13,,,,,7FC4,4.0,1.5,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,IBP,IBUPROFEN,CC(C)Cc1ccc(cc1)C(C)C(=O)O,HSA,206.28499999999997
5013,7FC4,X-RAY DIFFRACTION,2021-07-13,2022-07-13,,,,,7FC4,4.0,1.5,experimental,,Escherichia coli,Homo sapiens,"Fatty acid-binding protein, heart",1.0,P6G,HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCO)O,HSA,282.3329999999999
5015,7Q1U,ELECTRON MICROSCOPY,2021-10-21,2022-06-08,,,,,7Q1U,6.0,2.7,experimental,10.1016/j.molcel.2021.11.018,Escherichia coli,Escherichia coli K-12,Megabody 177,2.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
5020,7RL2,X-RAY DIFFRACTION,2021-07-23,2021-10-06,,,,,7RL2,5.0,2.23,experimental,10.3390/ijms221910206,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
5021,7RL2,X-RAY DIFFRACTION,2021-07-23,2021-10-06,,,,,7RL2,5.0,2.23,experimental,10.3390/ijms221910206,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,LSN,"[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol",CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,HSA,422.9200000000001
5024,8AU5,X-RAY DIFFRACTION,2022-08-25,2023-09-06,3.00E+08,3.0,IC50,nM,8AU5,5.0,2.72,experimental,10.1016/j.jbc.2023.105328,Spodoptera frugiperda,Homo sapiens,Hepatocyte growth factor receptor,1.0,3.00E+08,"3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile",CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N,HSA,492.58300000000025
5031,8PC4,X-RAY DIFFRACTION,2023-06-09,2024-06-26,,,,,8PC4,17.0,2.85,experimental,10.1016/j.chembiol.2025.01.008,Escherichia phage EcSzw-2,Homo sapiens,N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D,1.0,3PE,"1,2-Distearoyl-sn-glycerophosphoethanolamine",CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,HSA,748.0799999999991
5032,8PC4,X-RAY DIFFRACTION,2023-06-09,2024-06-26,,,,,8PC4,17.0,2.85,experimental,10.1016/j.chembiol.2025.01.008,Escherichia phage EcSzw-2,Homo sapiens,N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D,1.0,DXC,"(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID",CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C,HSA,392.58000000000015
5033,8PC4,X-RAY DIFFRACTION,2023-06-09,2024-06-26,,,,,8PC4,17.0,2.85,experimental,10.1016/j.chembiol.2025.01.008,Escherichia phage EcSzw-2,Homo sapiens,N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D,1.0,HCZ,"6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2,HSA,297.745
5034,8SC6,ELECTRON MICROSCOPY,2023-04-04,2023-10-18,VIB,4354000.0,IC50,nM,8SC6,1.0,3.13,experimental,10.1038/s41467-023-42086-9,Homo sapiens,Homo sapiens,Solute carrier family 22 member 1,1.0,VIB,3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,HSA,265.36199999999997
5035,8VX0,X-RAY DIFFRACTION,2024-02-02,2024-06-12,,,,,8VX0,5.0,3.05,experimental,10.1016/j.jinorgbio.2024.112622,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,LSN,"[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol",CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,HSA,422.9200000000001
5037,8VX0,X-RAY DIFFRACTION,2024-02-02,2024-06-12,,,,,8VX0,5.0,3.05,experimental,10.1016/j.jinorgbio.2024.112622,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
5039,9F4G,X-RAY DIFFRACTION,2024-04-27,2024-05-08,,,,,9F4G,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,SZE,4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one,CN1CCN(CC1=O)c2c(cccn2)F,HSA,209.224
5040,9F4H,X-RAY DIFFRACTION,2024-04-27,2024-05-08,,,,,9F4H,2.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,NUY,[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone,CC(C)N1CCN(CC1)C(=O)c2cccs2,HSA,238.35600000000002
5042,9F4W,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4W,1.0,1.6,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,O0M,1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol,CC(C)c1ccc(cc1)CN2CCC(CC2)O,HSA,233.3549999999999
5043,9F4Y,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4Y,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,W0S,"1-(3,4,5-trimethoxyphenyl)methanamine",COc1cc(cc(c1OC)OC)CN,HSA,197.23399999999995
5044,9F7H,X-RAY DIFFRACTION,2024-05-03,2024-05-15,,,,,9F7H,1.0,1.43,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,JFM,N-(2-phenylethyl)methanesulfonamide,CS(=O)(=O)NCCc1ccccc1,HSA,199.27500000000003
5046,9GU6,X-RAY DIFFRACTION,2024-09-19,2025-11-19,,,,,9GU6,50.0,1.93,experimental,10.1021/acs.jmedchem.5c01626,Escherichia coli,Homo sapiens,Neuronal calcium sensor 1,1.0,117,"7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID",CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4,HSA,558.6500000000002
5052,9HQL,X-RAY DIFFRACTION,2024-12-16,2024-12-25,,,,,9HQL,1.0,1.75,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,VZM,N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea,COc1ccc(cn1)NC(=O)Nc2cccs2,HSA,249.29500000000002
5053,9J40,ELECTRON MICROSCOPY,2024-08-08,2025-04-02,,,,,9J40,14.0,3.4,experimental,10.1038/s41467-025-58087-9,Homo sapiens,"Nomascus leucogenys, Homo sapiens","G protein-coupled receptor 155,Lysosomal cholesterol signaling protein fusion protein",1.0,POV,(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate,CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,760.0909999999993
5054,9J40,ELECTRON MICROSCOPY,2024-08-08,2025-04-02,,,,,9J40,14.0,3.4,experimental,10.1038/s41467-025-58087-9,Homo sapiens,"Nomascus leucogenys, Homo sapiens","G protein-coupled receptor 155,Lysosomal cholesterol signaling protein fusion protein",1.0,IOS,3-SULFOOXY-1H-INDOLE,c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O,HSA,213.21399999999997
5055,9J40,ELECTRON MICROSCOPY,2024-08-08,2025-04-02,,,,,9J40,14.0,3.4,experimental,10.1038/s41467-025-58087-9,Homo sapiens,"Nomascus leucogenys, Homo sapiens","G protein-coupled receptor 155,Lysosomal cholesterol signaling protein fusion protein",1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
5056,9J40,ELECTRON MICROSCOPY,2024-08-08,2025-04-02,,,,,9J40,14.0,3.4,experimental,10.1038/s41467-025-58087-9,Homo sapiens,"Nomascus leucogenys, Homo sapiens","G protein-coupled receptor 155,Lysosomal cholesterol signaling protein fusion protein",1.0,TRP,TRYPTOPHAN,c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N,HSA,204.22899999999996
5057,9J40,ELECTRON MICROSCOPY,2024-08-08,2025-04-02,,,,,9J40,14.0,3.4,experimental,10.1038/s41467-025-58087-9,Homo sapiens,"Nomascus leucogenys, Homo sapiens","G protein-coupled receptor 155,Lysosomal cholesterol signaling protein fusion protein",1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
5059,9OHS,X-RAY DIFFRACTION,2025-05-05,2025-07-02,,,,,9OHS,2.0,3.072,experimental,10.1101/2025.05.06.652568,Escherichia coli BL21,Homo sapiens,Alpha-ketoglutarate-dependent dioxygenase FTO,1.0,ASC,ASCORBIC ACID,C(C(C1C(=C(C(=O)O1)O)O)O)O,HSA,176.124
5060,3L3O,X-RAY DIFFRACTION,2009-12-17,2010-08-04,,,,,3L3O,2.0,3.405,experimental,10.1016/j.jmb.2010.07.029,,Homo sapiens,Complement C3,4.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
5071,2CFH,X-RAY DIFFRACTION,2006-02-21,2006-07-12,,,,,2CFH,2.0,2.3,experimental,10.1016/J.JMB.2006.06.012,Escherichia coli BL21(DE3),Homo sapiens,TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 6B,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5090,4IMA,X-RAY DIFFRACTION,2013-01-02,2013-01-23,,,,,4IMA,14.0,1.954,experimental,10.1021/bi301341r,Escherichia coli,Homo sapiens,Pyruvate kinase,1.0,FLC,CITRATE ANION,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,HSA,189.099
5091,4IMA,X-RAY DIFFRACTION,2013-01-02,2013-01-23,,,,,4IMA,14.0,1.954,experimental,10.1021/bi301341r,Escherichia coli,Homo sapiens,Pyruvate kinase,1.0,FBP,"1,6-di-O-phosphono-beta-D-fructofuranose",C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,HSA,340.11400000000003
5093,4IMA,X-RAY DIFFRACTION,2013-01-02,2013-01-23,,,,,4IMA,14.0,1.954,experimental,10.1021/bi301341r,Escherichia coli,Homo sapiens,Pyruvate kinase,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
5095,4K87,X-RAY DIFFRACTION,2013-04-18,2013-10-09,,,,,4K87,3.0,2.301,experimental,10.1107/S0907444913020556,Escherichia coli,Homo sapiens,Proline--tRNA ligase,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
5097,4R1V,X-RAY DIFFRACTION,2014-08-07,2015-03-18,3.00E+08,100.0,IC50,nM,4R1V,4.0,1.2,experimental,10.1016/j.bmcl.2015.02.002,Spodoptera frugiperda,Homo sapiens,Hepatocyte growth factor receptor,1.0,3.00E+08,"3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile",CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N,HSA,492.58300000000025
5103,5JKW,X-RAY DIFFRACTION,2016-04-26,2017-04-26,TES,600.0,Ki,nM,5JKW,2.0,3,experimental,10.1016/j.jsbmb.2018.02.009,,Homo sapiens,Aromatase,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
5104,5JKW,X-RAY DIFFRACTION,2016-04-26,2017-04-26,TES,600.0,Ki,nM,5JKW,2.0,3,experimental,10.1016/j.jsbmb.2018.02.009,,Homo sapiens,Aromatase,1.0,TES,TESTOSTERONE,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,HSA,288.43100000000004
5106,6R7D,X-RAY DIFFRACTION,2019-03-28,2019-08-28,JUQ,50.0,IC50,nM,6R7D,64.0,2.35,experimental,10.1021/acs.jmedchem.9b00555,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,JUQ,"(1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid",COc1c(cnc(n1)C(=O)C2CC2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,HSA,417.46500000000015
5108,6R7D,X-RAY DIFFRACTION,2019-03-28,2019-08-28,JUQ,50.0,IC50,nM,6R7D,64.0,2.35,experimental,10.1021/acs.jmedchem.9b00555,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5109,6R7D,X-RAY DIFFRACTION,2019-03-28,2019-08-28,JUQ,50.0,IC50,nM,6R7D,64.0,2.35,experimental,10.1021/acs.jmedchem.9b00555,Komagataella pastoris,Homo sapiens,Leukotriene C4 synthase,1.0,LMT,DODECYL-BETA-D-MALTOSIDE,CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O,HSA,510.6210000000002
5110,8AU3,X-RAY DIFFRACTION,2022-08-25,2023-09-06,3.00E+08,3.0,IC50,nM,8AU3,4.0,2.26,experimental,10.1016/j.jbc.2023.105328,Spodoptera frugiperda,Homo sapiens,Hepatocyte growth factor receptor,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
5116,8AW1,X-RAY DIFFRACTION,2022-08-29,2023-09-06,3.00E+08,1.0,IC50,nM,8AW1,2.0,2.14,experimental,10.1016/j.jbc.2023.105328,Spodoptera frugiperda,Homo sapiens,Hepatocyte growth factor receptor,1.0,3.00E+08,"3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile",CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N,HSA,492.58300000000025
5127,8JU0,ELECTRON MICROSCOPY,2023-06-23,2024-03-27,,,,,8JU0,1.0,2.98,experimental,10.1038/s41421-024-00664-1,Spodoptera frugiperda,Homo sapiens,Solute carrier family 22 member 1,1.0,SNL,SPIRONOLACTONE,CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C,HSA,416.5830000000003
5128,8PM6,ELECTRON MICROSCOPY,2023-06-28,2023-11-22,GBM,1500.0,IC50,nM,8PM6,9.0,3.22,experimental,10.1038/s41467-023-43109-1,Homo sapiens,Homo sapiens,Bile salt export pump,1.0,GBM,5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide,COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl,HSA,494.01300000000026
5136,8SC2,ELECTRON MICROSCOPY,2023-04-04,2023-10-18,C9F,12400.0,IC50,nM,8SC2,1.0,3.36,experimental,10.1038/s41467-023-42086-9,Homo sapiens,Homo sapiens,Solute carrier family 22 member 1,1.0,C9F,Diltiazem,CC(=O)OC1C(Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC,HSA,414.5270000000002
5137,8VZ7,X-RAY DIFFRACTION,2024-02-11,2024-06-12,,,,,8VZ7,5.0,2.53,experimental,10.1016/j.jinorgbio.2024.112622,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
5138,8VZ7,X-RAY DIFFRACTION,2024-02-11,2024-06-12,,,,,8VZ7,5.0,2.53,experimental,10.1016/j.jinorgbio.2024.112622,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,LSN,"[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol",CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,HSA,422.9200000000001
5139,8VZ7,X-RAY DIFFRACTION,2024-02-11,2024-06-12,,,,,8VZ7,5.0,2.53,experimental,10.1016/j.jinorgbio.2024.112622,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,FRU,beta-D-fructofuranose,C(C1C(C(C(O1)(CO)O)O)O)O,HSA,180.156
5141,9F4L,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4L,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,WGP,"N,N-dimethyl-N~2~-phenylglycinamide",CN(C)C(=O)CNc1ccccc1,HSA,178.235
5142,9F4N,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4N,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,O3J,1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one,CC(=O)N1CCN(CC1)CCCc2ccccc2,HSA,246.354
5143,9F4P,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4P,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,Q49,(3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one,CN1CCC(C1=O)Oc2cccc(c2)F,HSA,209.22
5144,9F4T,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4T,1.0,1.42,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,WZY,N-(4-methoxyphenyl)glycinamide,COc1ccc(cc1)NC(=O)CN,HSA,180.20699999999997
5145,9F4X,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4X,1.0,1.6,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,HWH,~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide,CC(=O)NCCc1c[nH]c2c1cc(cc2)F,HSA,220.24699999999999
5146,9F51,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F51,1.0,1.5,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,A1H9V,"~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide",CN(C)S(=O)(=O)c1c[nH]nc1,HSA,175.21300000000002
5149,9F55,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F55,2.0,1.55,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,A1H9U,~{N}-(3-azanyl-2-methyl-phenyl)propanamide,CCC(=O)Nc1cccc(c1C)N,HSA,178.23499999999996
5150,9F5E,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F5E,1.0,1.45,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,JFP,"N-(4-methyl-1,3-thiazol-2-yl)propanamide",CCC(=O)Nc1nc(cs1)C,HSA,170.23699999999997
5151,9F5G,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F5G,1.0,1.8,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,Z9I,1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine,CS(=O)(=O)N1CCCC1CN,HSA,178.257
5152,9F5K,X-RAY DIFFRACTION,2024-04-29,2024-05-08,,,,,9F5K,1.0,1.7,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,ONQ,~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide,COc1ccc(cc1)C(=O)NCC(=O)N,HSA,208.21699999999996
5153,9HQ9,X-RAY DIFFRACTION,2024-12-16,2025-01-22,,,,,9HQ9,1.0,1.6,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,A1H97,(5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane,c1cnc(cn1)N2CCC3(C2)CCOC3,HSA,205.26099999999994
5154,9HQJ,X-RAY DIFFRACTION,2024-12-16,2024-12-25,,,,,9HQJ,1.0,1.6,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,A1H9T,"2-fluoranyl-~{N}-(1,3,4-thiadiazol-2-yl)benzamide",c1ccc(c(c1)C(=O)Nc2nncs2)F,HSA,223.232
5155,9LJH,ELECTRON MICROSCOPY,2025-01-15,2025-12-03,,,,,9LJH,28.0,2.73,experimental,10.1038/s41586-025-09934-8,Homo sapiens,Homo sapiens,Organic solute transporter subunit beta,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5163,7N1R,X-RAY DIFFRACTION,2021-05-28,2022-01-12,,,,,7N1R,33.0,2.03,experimental,10.1002/pro.4267,Escherichia coli BL21(DE3),Homo sapiens,Endoplasmic reticulum chaperone BiP,1.0,AMP,ADENOSINE MONOPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N,HSA,347.22400000000005
5165,1B56,X-RAY DIFFRACTION,1999-01-12,1999-10-05,,,,,1B56,1.0,2.05,experimental,10.1021/bi990305u,Escherichia coli,Homo sapiens,FATTY ACID BINDING PROTEIN,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5169,2JC9,X-RAY DIFFRACTION,2006-12-21,2007-01-02,,,,,2JC9,10.0,1.5,experimental,10.1074/JBC.M700917200,Escherichia coli,Homo sapiens,CYTOSOLIC PURINE 5'-NUCLEOTIDASE,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
5171,2NNH,X-RAY DIFFRACTION,2006-10-24,2007-10-23,,,,,2NNH,10.0,2.6,experimental,10.1074/jbc.M802180200,Escherichia coli,Homo sapiens,Cytochrome P450 2C8,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
5172,2NNH,X-RAY DIFFRACTION,2006-10-24,2007-10-23,,,,,2NNH,10.0,2.6,experimental,10.1074/jbc.M802180200,Escherichia coli,Homo sapiens,Cytochrome P450 2C8,1.0,9CR,(9cis)-retinoic acid,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
5173,2NNH,X-RAY DIFFRACTION,2006-10-24,2007-10-23,,,,,2NNH,10.0,2.6,experimental,10.1074/jbc.M802180200,Escherichia coli,Homo sapiens,Cytochrome P450 2C8,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5174,2YFX,X-RAY DIFFRACTION,2011-04-08,2011-05-04,VGH,1540.0,IC50,nM,2YFX,1.0,1.7,experimental,10.1021/JM401805H,Spodoptera frugiperda,Homo sapiens,TYROSINE-PROTEIN KINASE RECEPTOR,1.0,VGH,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,HSA,450.3450000000002
5259,5OM7,X-RAY DIFFRACTION,2017-07-28,2018-05-23,,,,,5OM7,1.0,1.727,experimental,10.1073/pnas.1716666115,Escherichia coli BL21(DE3),Homo sapiens,Alpha-1-antichymotrypsin,2.0,DM2,DOXORUBICIN,CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,HSA,543.5250000000003
5261,5Y7Z,X-RAY DIFFRACTION,2017-08-18,2018-08-29,IRE,13.0,Kd,nM,5Y7Z,7.0,2.804,experimental,10.1002/open.201800177,Escherichia coli,Homo sapiens,Cyclin-G-associated kinase,1.0,IRE,Gefitinib,COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F,HSA,446.91
5266,6K4J,X-RAY DIFFRACTION,2019-05-24,2020-05-13,,,,,6K4J,3.0,2.701,experimental,10.1038/s41467-020-15459-7,Spodoptera frugiperda,Homo sapiens,CD9 antigen,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5267,6K4J,X-RAY DIFFRACTION,2019-05-24,2020-05-13,,,,,6K4J,3.0,2.701,experimental,10.1038/s41467-020-15459-7,Spodoptera frugiperda,Homo sapiens,CD9 antigen,1.0,OLC,"(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O,HSA,356.547
5269,7Q6Z,ELECTRON MICROSCOPY,2021-11-09,2022-01-26,,,,,7Q6Z,4.0,3.59,experimental,10.1016/j.molcel.2021.11.018,Escherichia coli,Escherichia coli K-12,Megabody 177,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5283,8JTZ,ELECTRON MICROSCOPY,2023-06-22,2024-03-27,,,,,8JTZ,1.0,3.27,experimental,10.1038/s41421-024-00664-1,Spodoptera frugiperda,Homo sapiens,Solute carrier family 22 member 1,1.0,SNL,SPIRONOLACTONE,CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C,HSA,416.5830000000003
5284,8RYC,X-RAY DIFFRACTION,2024-02-08,2025-02-19,,,,,8RYC,2.0,2.09,experimental,,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,A1H32,5-phenylmethoxy-1~{H}-indole,c1ccc(cc1)COc2ccc3c(c2)cc[nH]3,HSA,223.275
5285,8RYC,X-RAY DIFFRACTION,2024-02-08,2025-02-19,,,,,8RYC,2.0,2.09,experimental,,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
5286,9F4D,X-RAY DIFFRACTION,2024-04-27,2024-05-08,,,,,9F4D,1.0,1.5,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,JH1,1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide,CCn1cc(cn1)C(=O)NCc2ccc(cc2)F,HSA,247.273
5287,9F4K,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4K,1.0,1.8,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,A1H9R,"~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide",Cc1c(cn(n1)C)C(=O)NCC2CCC2,HSA,207.27699999999996
5288,9F4O,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4O,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,A1H95,(3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine,Cc1cccc(n1)N2CCNC(C2)C,HSA,191.27800000000002
5289,9F4Q,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4Q,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,A1H9S,"5-(2-phenylethylamino)-1H-pyrimidine-2,4-dione",c1ccc(cc1)CCNC2=CNC(=O)NC2=O,HSA,231.255
5290,9F4S,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4S,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,JGA,"N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea",CCNC(=O)Nc1cc(on1)C,HSA,169.18399999999997
5291,9F4U,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4U,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,LXA,~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide,COCC(=O)NCc1[nH]c2ccccc2n1,HSA,219.24400000000003
5292,9F4V,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4V,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,UQJ,3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide,Cn1cc(c(n1)C(F)F)C(=O)N,HSA,175.13799999999998
5293,9F4Z,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4Z,1.0,1.6,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,9KS,N-(2-hydroxyphenyl)acetamide,CC(=O)Nc1ccccc1O,HSA,151.16499999999996
5294,9F50,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F50,1.0,1.5,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,K2G,5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide,CC(C)c1ncc(c(n1)C(=O)N)Cl,HSA,199.641
5295,9F5C,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F5C,1.0,1.45,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,LJA,N-[3-(carbamoylamino)phenyl]acetamide,CC(=O)Nc1cccc(c1)NC(=O)N,HSA,193.206
5296,9F5D,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F5D,1.0,1.6,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,A1H9X,"5-[(phenylmethyl)amino]-1H-pyrimidine-2,4-dione",c1ccc(cc1)CNC2=CNC(=O)NC2=O,HSA,217.228
5297,9F5F,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F5F,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,W0J,(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine,CNC1CCCN(C1)c2cccnn2,HSA,192.26600000000005
5298,9F7F,X-RAY DIFFRACTION,2024-05-03,2024-05-15,,,,,9F7F,1.0,1.55,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,WNM,(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine,c1ccc(cc1)S(=O)(=O)N2CCC(C2)N,HSA,226.30099999999993
5299,9S64,X-RAY DIFFRACTION,2025-07-30,2026-02-04,,,,,9S64,6.0,1.85,experimental,10.1021/acs.jmedchem.5c02602,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-1,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
5302,9S64,X-RAY DIFFRACTION,2025-07-30,2026-02-04,,,,,9S64,6.0,1.85,experimental,10.1021/acs.jmedchem.5c02602,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-1,1.0,A1JLZ,"2-[4-chloranyl-3-[3-methyl-5-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-c]pyridin-1-yl]ethanol",Cc1cc(cc(c1)Oc2ccc(cc2)C(F)(F)F)c3cn(c4c3c(ncc4)Cl)CCO,HSA,446.85600000000017
5306,6ASY,X-RAY DIFFRACTION,2017-08-26,2017-12-06,,,,,6ASY,28.0,1.85,experimental,10.1038/s41467-017-01310-z,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,78 kDa glucose-regulated protein,1.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
5311,1T8I,X-RAY DIFFRACTION,2004-05-12,2005-05-31,EHD,1600.0,IC50,nM,1T8I,1.0,3,experimental,10.1021/jm049146p,,,5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*CP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3',3.0,EHD,"4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE",CCC1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O,HSA,348.35800000000006
5337,4G0U,X-RAY DIFFRACTION,2012-07-10,2013-07-17,ASW,1000.0,IC50,nM,4G0U,8.0,2.7,experimental,10.1093/nar/gkt828,,,DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'),3.0,ASW,N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide,COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C,HSA,393.4680000000001
5341,4WNU,X-RAY DIFFRACTION,2014-10-14,2015-01-14,QDN,14000.0,IC50,nM,4WNU,27.0,2.26,experimental,10.1074/jbc.M114.627661,Escherichia coli,Homo sapiens,Cytochrome P450 2D6,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
5384,5HGU,X-RAY DIFFRACTION,2016-01-08,2016-02-17,,,,,5HGU,2.0,2.046,experimental,10.1038/nchembio.2036,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5388,5X23,X-RAY DIFFRACTION,2017-01-30,2017-10-25,,,,,5X23,6.0,2,experimental,10.1021/acs.biochem.7b00795,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
5389,5X23,X-RAY DIFFRACTION,2017-01-30,2017-10-25,,,,,5X23,6.0,2,experimental,10.1021/acs.biochem.7b00795,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,LSN,"[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol",CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,HSA,422.9200000000001
5392,5X24,X-RAY DIFFRACTION,2017-01-30,2017-10-25,,,,,5X24,5.0,2.48,experimental,10.1021/acs.biochem.7b00795,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
5393,5X24,X-RAY DIFFRACTION,2017-01-30,2017-10-25,,,,,5X24,5.0,2.48,experimental,10.1021/acs.biochem.7b00795,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,LSN,"[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol",CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,HSA,422.9200000000001
5396,6QRM,X-RAY DIFFRACTION,2019-02-19,2020-03-18,,,,,6QRM,9.0,2.3,experimental,10.1038/s41467-020-14847-3,,Homo sapiens,Apoptosis-inducing factor 3,2.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
5401,6S66,X-RAY DIFFRACTION,2019-07-02,2020-07-22,,,,,6S66,3.0,2.2,experimental,10.1016/j.ejmech.2021.113835,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
5402,6S66,X-RAY DIFFRACTION,2019-07-02,2020-07-22,,,,,6S66,3.0,2.2,experimental,10.1016/j.ejmech.2021.113835,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,KWW,"1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide",c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN,HSA,389.28600000000006
5403,6S6J,X-RAY DIFFRACTION,2019-07-03,2020-07-22,KXH,35000.0,Kd,nM,6S6J,3.0,2.1,experimental,10.1016/j.ejmech.2021.113835,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
5404,6S6J,X-RAY DIFFRACTION,2019-07-03,2020-07-22,KXH,35000.0,Kd,nM,6S6J,3.0,2.1,experimental,10.1016/j.ejmech.2021.113835,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,KXH,"ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate",CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN,HSA,356.2530000000002
5405,8BHK,ELECTRON MICROSCOPY,2022-10-31,2023-11-01,DZP,11.19999981,Ki,nM,8BHK,10.0,3.3,experimental,10.1038/s41594-023-01133-1,Homo sapiens,Homo sapiens,Gamma-aminobutyric acid receptor subunit alpha-5,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
5414,8BWP,ELECTRON MICROSCOPY,2022-12-07,2023-08-30,MTX,133000.0,IC50,nM,8BWP,1.0,3.6,experimental,10.1016/j.str.2023.08.014,Homo sapiens,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,MTX,METHOTREXATE,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,HSA,454.44700000000023
5415,8POJ,X-RAY DIFFRACTION,2023-07-05,2023-11-22,,,,,8POJ,2.0,2.45,experimental,10.1016/j.bmcl.2023.129488,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,ZUL,4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid,c1ccc(cc1)c2cccc(c2)Nc3cc(ccc3C(=O)O)F,HSA,307.32399999999996
5416,8POJ,X-RAY DIFFRACTION,2023-07-05,2023-11-22,,,,,8POJ,2.0,2.45,experimental,10.1016/j.bmcl.2023.129488,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
5417,8PON,X-RAY DIFFRACTION,2023-07-05,2023-11-22,,,,,8PON,2.0,2.2,experimental,10.1016/j.bmcl.2023.129488,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,ZUT,4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid,c1ccc(cc1)COc2cccc(c2)Nc3cc(ccc3C(=O)O)F,HSA,337.3500000000001
5418,8PON,X-RAY DIFFRACTION,2023-07-05,2023-11-22,,,,,8PON,2.0,2.2,experimental,10.1016/j.bmcl.2023.129488,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
5419,8XOK,ELECTRON MICROSCOPY,2024-01-01,2024-07-24,,,,,8XOK,15.0,2.84,experimental,10.1002/1873-3468.14955,Mammalian expression vector Flag-MCS-pcDNA3.1,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5420,8XOK,ELECTRON MICROSCOPY,2024-01-01,2024-07-24,,,,,8XOK,15.0,2.84,experimental,10.1002/1873-3468.14955,Mammalian expression vector Flag-MCS-pcDNA3.1,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,DU0,"2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol",CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(CO)CO)C)C)C)OC1,HSA,516.7630000000004
5421,8YGQ,X-RAY DIFFRACTION,2024-02-26,2025-03-05,,,,,8YGQ,2.0,2.71,experimental,,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5422,8YGQ,X-RAY DIFFRACTION,2024-02-26,2025-03-05,,,,,8YGQ,2.0,2.71,experimental,,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,EUI,"[3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE",c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(C4CCCCN4)O,HSA,531.3160000000005
5423,9F54,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F54,1.0,1.7,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,K3Y,1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide,Cn1cc(c(n1)C2CCCNC2)C(=O)N,HSA,208.265
5424,9JRK,ELECTRON MICROSCOPY,2024-09-29,2025-02-26,,,,,9JRK,1.0,3.44,experimental,10.1038/s41467-025-58378-1,Homo sapiens,"Escherichia coli, Homo sapiens","Soluble cytochrome b562,Reduced folate transporter,fusion protein",1.0,MTX,METHOTREXATE,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,HSA,454.44700000000023
5425,9KRM,ELECTRON MICROSCOPY,2024-11-28,2025-09-24,,,,,9KRM,1.0,3,experimental,10.1186/s13578-025-01377-y,Spodoptera frugiperda,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,MTX,METHOTREXATE,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,HSA,454.44700000000023
5426,9UO1,ELECTRON MICROSCOPY,2025-04-24,2025-12-10,,,,,9UO1,56.0,2.9,experimental,10.1038/s41586-025-10029-7,Homo sapiens,Homo sapiens,Organic solute transporter subunit alpha,1.0,76F,"(7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate",CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC,HSA,742.0319999999995
5443,1FDS,X-RAY DIFFRACTION,1996-06-28,1997-02-12,,,,,1FDS,1.0,1.7,experimental,10.1016/S0969-2126(96)00098-6,unidentified baculovirus,Homo sapiens,17-BETA-HYDROXYSTEROID-DEHYDROGENASE,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
5444,1IOL,X-RAY DIFFRACTION,1996-06-20,1997-07-07,,,,,1IOL,1.0,2.3,experimental,10.1038/nsb0896-665,,Homo sapiens,ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
5445,2.00E+56,X-RAY DIFFRACTION,2006-12-19,2007-06-26,,,,,2.00E+56,5.0,2,experimental,10.1126/science.1139111,Komagataella pastoris,Homo sapiens,Lymphocyte antigen 96,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
5446,2.00E+56,X-RAY DIFFRACTION,2006-12-19,2007-06-26,,,,,2.00E+56,5.0,2,experimental,10.1126/science.1139111,Komagataella pastoris,Homo sapiens,Lymphocyte antigen 96,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
5447,2WGJ,X-RAY DIFFRACTION,2009-04-20,2009-06-02,VGH,2.5,IC50,nM,2WGJ,1.0,2,experimental,10.1021/JM2007613,Spodoptera frugiperda,Homo sapiens,HEPATOCYTE GROWTH FACTOR RECEPTOR,1.0,VGH,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine",CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,HSA,450.3450000000002
5479,4A9J,X-RAY DIFFRACTION,2011-11-26,2012-01-11,,,,,4A9J,9.0,1.9,experimental,10.1021/JM201320W,Escherichia coli,Homo sapiens,BROMODOMAIN CONTAINING 2,1.0,TYL,N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL),CC(=O)Nc1ccc(cc1)O,HSA,151.165
5483,4IP7,X-RAY DIFFRACTION,2013-01-09,2013-01-30,,,,,4IP7,30.0,1.8,experimental,10.1021/bi301341r,Escherichia coli,Homo sapiens,Pyruvate kinase isozymes L,1.0,FLC,CITRATE ANION,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,HSA,189.099
5484,4IP7,X-RAY DIFFRACTION,2013-01-09,2013-01-30,,,,,4IP7,30.0,1.8,experimental,10.1021/bi301341r,Escherichia coli,Homo sapiens,Pyruvate kinase isozymes L,1.0,FBP,"1,6-di-O-phosphono-beta-D-fructofuranose",C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,HSA,340.11400000000003
5488,4IP7,X-RAY DIFFRACTION,2013-01-09,2013-01-30,,,,,4IP7,30.0,1.8,experimental,10.1021/bi301341r,Escherichia coli,Homo sapiens,Pyruvate kinase isozymes L,1.0,1PE,PENTAETHYLENE GLYCOL,C(COCCOCCOCCOCCO)O,HSA,238.27999999999994
5489,4IP7,X-RAY DIFFRACTION,2013-01-09,2013-01-30,,,,,4IP7,30.0,1.8,experimental,10.1021/bi301341r,Escherichia coli,Homo sapiens,Pyruvate kinase isozymes L,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
5490,4KTV,X-RAY DIFFRACTION,2013-05-21,2014-07-16,,,,,4KTV,17.0,3.3,experimental,10.1107/S2052252514012585,Escherichia coli,Homo sapiens,Methionine adenosyltransferase 2 subunit beta,2.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
5495,4OTI,X-RAY DIFFRACTION,2014-02-13,2014-08-27,MI1,170.0,Kd,nM,4OTI,1.0,1.93,experimental,10.1371/journal.pone.0103638,Trichoplusia ni,Homo sapiens,Serine/threonine-protein kinase N1,1.0,MI1,"3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile",CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N,HSA,312.3770000000001
5513,6S60,X-RAY DIFFRACTION,2019-07-02,2020-07-22,KX8,4600.0,Kd,nM,6S60,3.0,2,experimental,10.1016/j.ejmech.2021.113835,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
5514,6S60,X-RAY DIFFRACTION,2019-07-02,2020-07-22,KX8,4600.0,Kd,nM,6S60,3.0,2,experimental,10.1016/j.ejmech.2021.113835,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,KX8,"4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid",c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCCC(=O)O,HSA,432.30700000000013
5524,8PUY,X-RAY DIFFRACTION,2023-07-17,2023-12-13,,,,,8PUY,2.0,2.2,experimental,10.1021/acsmedchemlett.3c00386,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,F3Y,~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide,CCCCCOc1cccc(c1)Nc2cccc(c2)NC(=O)CC,HSA,326.4400000000001
5525,8PUY,X-RAY DIFFRACTION,2023-07-17,2023-12-13,,,,,8PUY,2.0,2.2,experimental,10.1021/acsmedchemlett.3c00386,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
5526,9F4J,X-RAY DIFFRACTION,2024-04-28,2024-05-08,,,,,9F4J,1.0,1.4,experimental,10.1016/j.jbc.2025.108335,Escherichia coli BL21(DE3),Homo sapiens,"Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed",1.0,NWP,"(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide",CC1CN(CCO1)S(=O)(=O)N(C)C(C)C,HSA,236.337
5527,9UO2,ELECTRON MICROSCOPY,2025-04-24,2025-12-10,,,,,9UO2,62.0,2.6,experimental,10.1038/s41586-025-10029-7,Homo sapiens,Homo sapiens,Organic solute transporter subunit alpha,1.0,76F,"(7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate",CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC,HSA,742.0319999999995
5540,2J2P,X-RAY DIFFRACTION,2006-08-17,2007-01-23,,,,,2J2P,20.0,2.8,experimental,10.1038/SJ.EMBOJ.7601500,Trichoplusia ni,Homo sapiens,FICOLIN-2,1.0,BMA,beta-D-mannopyranose,C(C1C(C(C(C(O1)O)O)O)O)O,HSA,180.156
5541,2J2P,X-RAY DIFFRACTION,2006-08-17,2007-01-23,,,,,2J2P,20.0,2.8,experimental,10.1038/SJ.EMBOJ.7601500,Trichoplusia ni,Homo sapiens,FICOLIN-2,1.0,SC2,N-ACETYL-L-CYSTEINE,CC(=O)NC(CS)C(=O)O,HSA,163.198
5546,3RC3,X-RAY DIFFRACTION,2011-03-30,2011-05-11,,,,,3RC3,4.0,2.08,experimental,10.1107/S0907444911040248,Escherichia coli BL21(DE3),Homo sapiens,"ATP-dependent RNA helicase SUPV3L1, mitochondrial",1.0,ANP,PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N,HSA,506.1980000000001
5547,4JQ3,X-RAY DIFFRACTION,2013-03-19,2014-04-02,,,,,4JQ3,12.0,1.75,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Aldo-keto reductase family 1 member C2,1.0,ZOM,"[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid",Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O,HSA,291.73400000000004
5548,4JQ3,X-RAY DIFFRACTION,2013-03-19,2014-04-02,,,,,4JQ3,12.0,1.75,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Aldo-keto reductase family 1 member C2,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
5550,4JQ3,X-RAY DIFFRACTION,2013-03-19,2014-04-02,,,,,4JQ3,12.0,1.75,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Aldo-keto reductase family 1 member C2,1.0,TLA,L(+)-TARTARIC ACID,C(C(C(=O)O)O)(C(=O)O)O,HSA,150.08599999999998
5552,4LAX,X-RAY DIFFRACTION,2013-06-20,2013-08-21,FK5,23.0,Kd,nM,4LAX,5.0,2.007,experimental,10.1016/j.jmb.2013.07.041,Escherichia coli BL21(DE3),Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP4,1.0,FK5,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,HSA,804.0310000000002
5578,5AUW,X-RAY DIFFRACTION,2015-06-10,2015-10-07,QUE,8900.0,IC50,nM,5AUW,1.0,1.5,experimental,10.1021/acs.jmedchem.5b00893,Escherichia coli,Homo sapiens,Death-associated protein kinase 1,1.0,QUE,"3,5,7,3',4'-PENTAHYDROXYFLAVONE",c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,HSA,302.238
5597,5O9U,X-RAY DIFFRACTION,2017-06-20,2018-06-27,,,,,5O9U,7.0,1.85,experimental,10.1038/s41589-018-0077-5,,Arabidopsis thaliana,Calcineurin B-like protein 4,2.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
5600,5XXI,X-RAY DIFFRACTION,2017-07-04,2017-10-25,,,,,5XXI,5.0,2.3,experimental,10.1021/acs.biochem.7b00795,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,LSN,"[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol",CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,HSA,422.9200000000001
5601,5XXI,X-RAY DIFFRACTION,2017-07-04,2017-10-25,,,,,5XXI,5.0,2.3,experimental,10.1021/acs.biochem.7b00795,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
5603,6S69,X-RAY DIFFRACTION,2019-07-02,2020-07-22,KX5,5100.0,Kd,nM,6S69,3.0,2.15,experimental,10.1016/j.ejmech.2021.113835,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
5604,6S69,X-RAY DIFFRACTION,2019-07-02,2020-07-22,KX5,5100.0,Kd,nM,6S69,3.0,2.15,experimental,10.1016/j.ejmech.2021.113835,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,KX5,"3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid",c1ccc(cc1)CCNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O,HSA,432.30700000000013
5605,7CCU,X-RAY DIFFRACTION,2020-06-18,2021-01-20,,,,,7CCU,2.0,1.649,experimental,10.1107/S2052252520015614,Escherichia coli,Homo sapiens,Death-associated protein kinase 1,1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
5607,7OYJ,X-RAY DIFFRACTION,2021-06-24,2022-05-25,,,,,7OYJ,3.0,1.91,experimental,10.1021/acs.jmedchem.2c00075,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5608,7OYJ,X-RAY DIFFRACTION,2021-06-24,2022-05-25,,,,,7OYJ,3.0,1.91,experimental,10.1021/acs.jmedchem.2c00075,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,3DI,3-(1~{H}-pyrazol-5-yl)aniline,c1cc(cc(c1)N)c2ccn[nH]2,HSA,159.192
5609,7VRH,X-RAY DIFFRACTION,2021-10-22,2023-02-01,,,,,7VRH,4.0,2.2,experimental,10.1107/S2059798323005211,Escherichia coli BL21(DE3),Homo sapiens,Bromodomain-containing protein 2,1.0,AC2,9-HYROXYETHOXYMETHYLGUANINE,c1nc2c(n1COCCO)N=C(NC2=O)N,HSA,225.208
5610,7VRH,X-RAY DIFFRACTION,2021-10-22,2023-02-01,,,,,7VRH,4.0,2.2,experimental,10.1107/S2059798323005211,Escherichia coli BL21(DE3),Homo sapiens,Bromodomain-containing protein 2,1.0,DTT,"2,3-DIHYDROXY-1,4-DITHIOBUTANE",C(C(C(CS)O)O)S,HSA,154.25599999999997
5612,8IZ9,ELECTRON MICROSCOPY,2023-04-06,2024-04-10,XPG,2300.0,IC50,nM,8IZ9,1.0,2.95,experimental,10.1038/s42003-023-04935-7,Homo sapiens,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,XPG,"7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid",CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O,HSA,354.487
5613,8PUX,X-RAY DIFFRACTION,2023-07-17,2023-12-13,,,,,8PUX,2.0,2.05,experimental,10.1021/acsmedchemlett.3c00386,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,B3F,~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide,CCCCCOc1cccc(c1)Nc2ccccc2NC(=O)CC,HSA,326.4400000000001
5614,8PUX,X-RAY DIFFRACTION,2023-07-17,2023-12-13,,,,,8PUX,2.0,2.05,experimental,10.1021/acsmedchemlett.3c00386,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
5615,8W0Z,X-RAY DIFFRACTION,2024-02-14,2024-06-19,,,,,8W0Z,16.0,2,experimental,10.1038/s41598-024-63027-6,Escherichia coli BL21(DE3),Homo sapiens,"Long-chain specific acyl-CoA dehydrogenase, mitochondrial",1.0,FAD,FLAVIN-ADENINE DINUCLEOTIDE,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O,HSA,785.5570000000001
5616,8W0Z,X-RAY DIFFRACTION,2024-02-14,2024-06-19,,,,,8W0Z,16.0,2,experimental,10.1038/s41598-024-63027-6,Escherichia coli BL21(DE3),Homo sapiens,"Long-chain specific acyl-CoA dehydrogenase, mitochondrial",1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
5666,9VFR,ELECTRON MICROSCOPY,2025-06-11,2025-11-19,,,,,9VFR,4.0,2.55,experimental,,Homo sapiens,Homo sapiens,Kremen protein 1,5.0,STE,STEARIC ACID,CCCCCCCCCCCCCCCCCC(=O)O,HSA,284.4839999999999
5671,1FDW,X-RAY DIFFRACTION,1998-01-16,1998-05-27,,,,,1FDW,1.0,2.7,experimental,10.1074/jbc.273.14.8145,Spodoptera frugiperda,Homo sapiens,17-BETA-HYDROXYSTEROID DEHYDROGENASE,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
5672,2D06,X-RAY DIFFRACTION,2005-07-25,2005-10-25,EST,1200.0,Kd,nM,2D06,4.0,2.3,experimental,10.1074/jbc.M508289200,Escherichia coli BL21(DE3),Homo sapiens,Sulfotransferase 1A1,1.0,A3P,ADENOSINE-3'-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N,HSA,427.2030000000001
5674,2J1G,X-RAY DIFFRACTION,2006-08-11,2007-01-23,,,,,2J1G,15.0,1.95,experimental,10.1038/SJ.EMBOJ.7601500,Trichoplusia ni,Homo sapiens,FICOLIN-2,1.0,P4C,O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCOCC=O)O,HSA,324.37
5677,2J1G,X-RAY DIFFRACTION,2006-08-11,2007-01-23,,,,,2J1G,15.0,1.95,experimental,10.1038/SJ.EMBOJ.7601500,Trichoplusia ni,Homo sapiens,FICOLIN-2,1.0,SC2,N-ACETYL-L-CYSTEINE,CC(=O)NC(CS)C(=O)O,HSA,163.198
5678,3GVU,X-RAY DIFFRACTION,2009-03-31,2009-04-21,STI,60.0,Kd,nM,3GVU,2.0,2.05,experimental,,Trichoplusia ni,Homo sapiens,Tyrosine-protein kinase ABL2,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
5787,3W1W,X-RAY DIFFRACTION,2012-11-21,2013-10-09,,,,,3W1W,13.0,2.006,experimental,10.1124/mol.113.087940,Escherichia coli,Homo sapiens,"Ferrochelatase, mitochondrial",1.0,FES,FE2/S2 (INORGANIC) CLUSTER,S1[Fe]S[Fe]1,HSA,175.824
5788,3W1W,X-RAY DIFFRACTION,2012-11-21,2013-10-09,,,,,3W1W,13.0,2.006,experimental,10.1124/mol.113.087940,Escherichia coli,Homo sapiens,"Ferrochelatase, mitochondrial",1.0,CHD,CHOLIC ACID,CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C,HSA,408.5790000000002
5791,4BKJ,X-RAY DIFFRACTION,2013-04-25,2013-05-22,STI,0.7943279743,Kd,nM,4BKJ,21.0,1.7,experimental,10.1016/J.JMB.2014.04.014,Spodoptera frugiperda,Homo sapiens,EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
5797,4LV9,X-RAY DIFFRACTION,2013-07-26,2013-09-25,20J,230000.0,Kd,nM,4LV9,10.0,1.807,experimental,10.1016/j.bmcl.2013.08.074,Escherichia coli,Homo sapiens,Nicotinamide phosphoribosyltransferase,1.0,20J,"7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide",CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl,HSA,230.67599999999996
5803,5NUB,X-RAY DIFFRACTION,2017-04-28,2018-03-14,,,,,5NUB,3.0,1.6,experimental,10.1016/j.bbalip.2018.01.010,,Homo sapiens,Retinol-binding protein 4,1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
5809,5TE8,X-RAY DIFFRACTION,2016-09-20,2016-12-07,08J,2470.0,Ki,nM,5TE8,6.0,2.7,experimental,10.1073/pnas.1616198114,Escherichia coli BL21(DE3),Homo sapiens,Cytochrome P450 3A4,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
5815,8FNG,ELECTRON MICROSCOPY,2022-12-27,2023-08-09,DLU,2.700000048,IC50,nM,8FNG,8.0,2.2,experimental,10.1126/sciadv.adg5953,,Human immunodeficiency virus 1,DNA (25-MER),3.0,DLU,"(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide",CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O,HSA,419.38400000000007
5849,8XOL,ELECTRON MICROSCOPY,2024-01-01,2024-07-17,,,,,8XOL,11.0,3.02,experimental,10.1002/1873-3468.14955,Mammalian expression vector Flag-MCS-pcDNA3.1,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
5850,8XOL,ELECTRON MICROSCOPY,2024-01-01,2024-07-17,,,,,8XOL,11.0,3.02,experimental,10.1002/1873-3468.14955,Mammalian expression vector Flag-MCS-pcDNA3.1,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,DU0,"2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol",CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(CO)CO)C)C)C)OC1,HSA,516.7630000000004
5851,8XOL,ELECTRON MICROSCOPY,2024-01-01,2024-07-17,,,,,8XOL,11.0,3.02,experimental,10.1002/1873-3468.14955,Mammalian expression vector Flag-MCS-pcDNA3.1,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,ANP,PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N,HSA,506.1980000000001
5852,8Y2E,ELECTRON MICROSCOPY,2024-01-25,2024-08-14,,,,,8Y2E,3.0,3.03,experimental,10.1038/s41586-024-07796-0,Homo sapiens,Homo sapiens,Sodium-dependent dopamine transporter,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
5853,8Y2E,ELECTRON MICROSCOPY,2024-01-25,2024-08-14,,,,,8Y2E,3.0,3.03,experimental,10.1038/s41586-024-07796-0,Homo sapiens,Homo sapiens,Sodium-dependent dopamine transporter,1.0,CXQ,benztropine,CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4,HSA,307.437
5877,1Y0X,X-RAY DIFFRACTION,2004-11-16,2004-12-07,T44,240.0,EC50,nM,1Y0X,7.0,3.1,experimental,10.1074/jbc.M410124200,Escherichia coli,Homo sapiens,Thyroid hormone receptor beta-1,1.0,T44,"3,5,3',5'-TETRAIODO-L-THYRONINE",c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N,HSA,776.872
5879,5NUA,X-RAY DIFFRACTION,2017-04-28,2018-03-07,,,,,5NUA,3.0,1.6,experimental,10.1016/j.bbalip.2018.01.010,,Homo sapiens,Retinol-binding protein 4,1.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
5882,6YG2,X-RAY DIFFRACTION,2020-03-27,2020-08-12,,,,,6YG2,14.0,2,experimental,10.1016/j.chembiol.2020.07.014,Escherichia coli BL21(DE3),Homo sapiens,Dual specificity mitogen-activated protein kinase kinase 7,1.0,1.00E+08,"1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one",C=CC(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N,HSA,440.5070000000001
5883,6YG2,X-RAY DIFFRACTION,2020-03-27,2020-08-12,,,,,6YG2,14.0,2,experimental,10.1016/j.chembiol.2020.07.014,Escherichia coli BL21(DE3),Homo sapiens,Dual specificity mitogen-activated protein kinase kinase 7,1.0,8.00E+08,"1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one",CCC(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N,HSA,442.52300000000014
5886,6YZ4,X-RAY DIFFRACTION,2020-05-06,2020-08-12,,,,,6YZ4,14.0,1.7,experimental,10.1016/j.chembiol.2020.07.014,Escherichia coli BL21(DE3),Homo sapiens,Dual specificity mitogen-activated protein kinase kinase 7,1.0,1.00E+08,"1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one",C=CC(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N,HSA,440.5070000000001
5887,7CCW,X-RAY DIFFRACTION,2020-06-18,2021-01-20,,,,,7CCW,5.0,1.4,experimental,10.1107/S2052252520015614,Escherichia coli,Homo sapiens,Death-associated protein kinase 1,1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
5888,7CCW,X-RAY DIFFRACTION,2020-06-18,2021-01-20,,,,,7CCW,5.0,1.4,experimental,10.1107/S2052252520015614,Escherichia coli,Homo sapiens,Death-associated protein kinase 1,1.0,MES,2-(N-MORPHOLINO)-ETHANESULFONIC ACID,C1COCC[NH+]1CCS(=O)(=O)[O-],HSA,195.23999999999998
5897,8FNH,ELECTRON MICROSCOPY,2022-12-27,2023-08-09,DLU,2.700000048,IC50,nM,8FNH,8.0,2.5,experimental,10.1126/sciadv.adg5953,,Human immunodeficiency virus 1,DNA (25-MER),3.0,DLU,"(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide",CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O,HSA,419.38400000000007
5904,8FNM,ELECTRON MICROSCOPY,2022-12-27,2023-08-09,DLU,6.800000191,EC50,nM,8FNM,8.0,2.8,experimental,10.1126/sciadv.adg5953,,Human immunodeficiency virus 1,DNA (25-MER),3.0,DLU,"(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide",CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O,HSA,419.38400000000007
5913,8ZBT,ELECTRON MICROSCOPY,2024-04-27,2025-04-09,,,,,8ZBT,5.0,3.9,experimental,10.1016/j.celrep.2025.115466,Spodoptera frugiperda,Homo sapiens,ATP-binding cassette sub-family C member 4,1.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
5914,9UNV,ELECTRON MICROSCOPY,2025-04-24,2025-12-10,,,,,9UNV,52.0,3.12,experimental,10.1038/s41586-025-10029-7,Homo sapiens,Homo sapiens,Organic solute transporter subunit beta,2.0,76F,"(7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate",CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC,HSA,742.0319999999995
5923,1J96,X-RAY DIFFRACTION,2001-05-23,2002-05-23,,,,,1J96,6.0,1.25,experimental,10.1074/jbc.M105610200,Escherichia coli,Homo sapiens,3alpha-hydroxysteroid dehydrogenase type 3,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
5924,1J96,X-RAY DIFFRACTION,2001-05-23,2002-05-23,,,,,1J96,6.0,1.25,experimental,10.1074/jbc.M105610200,Escherichia coli,Homo sapiens,3alpha-hydroxysteroid dehydrogenase type 3,1.0,TES,TESTOSTERONE,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,HSA,288.43100000000004
5926,3GWS,X-RAY DIFFRACTION,2009-04-01,2009-04-28,,,,,3GWS,1.0,2.2,experimental,10.1016/j.jmb.2006.05.008,Escherichia coli,Homo sapiens,Thyroid hormone receptor beta,1.0,T3,"3,5,3'TRIIODOTHYRONINE",c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O,HSA,650.9760000000001
5927,4JQA,X-RAY DIFFRACTION,2013-03-20,2014-04-02,ID8,300.0,Ki,nM,4JQA,11.0,1.45,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Aldo-keto reductase family 1 member C2,1.0,ID8,"2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID",Cc1cccc(c1C)Nc2ccccc2C(=O)O,HSA,241.29000000000002
5933,4JTR,X-RAY DIFFRACTION,2013-03-24,2014-04-02,IBP,42400.0,IC50,nM,4JTR,12.0,1.3,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Aldo-keto reductase family 1 member C2,1.0,IBP,IBUPROFEN,CC(C)Cc1ccc(cc1)C(C)C(=O)O,HSA,206.28499999999997
5939,4JVL,X-RAY DIFFRACTION,2013-03-25,2013-09-04,,,,,4JVL,11.0,1.943,experimental,10.1289/ehp.1306902,Escherichia coli,Homo sapiens,Estrogen sulfotransferase,1.0,A3P,ADENOSINE-3'-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N,HSA,427.2030000000001
5940,4JVL,X-RAY DIFFRACTION,2013-03-25,2013-09-04,,,,,4JVL,11.0,1.943,experimental,10.1289/ehp.1306902,Escherichia coli,Homo sapiens,Estrogen sulfotransferase,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
5951,5NN4,X-RAY DIFFRACTION,2017-04-08,2017-10-25,,,,,5NN4,29.0,1.83,experimental,10.1038/s41467-017-01263-3,Cricetulus griseus,Homo sapiens,Lysosomal alpha-glucosidase,1.0,SC2,N-ACETYL-L-CYSTEINE,CC(=O)NC(CS)C(=O)O,HSA,163.198
5954,5NN4,X-RAY DIFFRACTION,2017-04-08,2017-10-25,,,,,5NN4,29.0,1.83,experimental,10.1038/s41467-017-01263-3,Cricetulus griseus,Homo sapiens,Lysosomal alpha-glucosidase,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
5957,7JUT,X-RAY DIFFRACTION,2020-08-20,2020-09-30,3EW,80.0,IC50,nM,7JUT,3.0,3.09,experimental,10.1038/s41586-020-2760-4,Spodoptera frugiperda,Homo sapiens,Kinase suppressor of Ras 2,1.0,ANP,PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N,HSA,506.1980000000001
5967,7JUZ,X-RAY DIFFRACTION,2020-08-20,2020-09-30,3EW,14.0,IC50,nM,7JUZ,3.0,3.21,experimental,10.1038/s41586-020-2760-4,Spodoptera frugiperda,Oryctolagus cuniculus,Dual specificity mitogen-activated protein kinase kinase 1,2.0,ANP,PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N,HSA,506.1980000000001
5977,7ORC,X-RAY DIFFRACTION,2021-06-05,2021-09-01,RAL,0.8700000048,Ki,nM,7ORC,18.0,2.7,experimental,10.1021/acs.jmedchem.1c01125,Escherichia coli K-12,Homo sapiens,Aldehyde oxidase,1.0,FES,FE2/S2 (INORGANIC) CLUSTER,S1[Fe]S[Fe]1,HSA,175.824
5983,7RIV,X-RAY DIFFRACTION,2021-07-20,2021-08-25,P06,87.0,EC50,nM,7RIV,1.0,2.2,experimental,10.1021/acsmedchemlett.1c00187,Escherichia coli BL21(DE3),Homo sapiens,Isoform 1C of Nuclear receptor subfamily 1 group I member 2,1.0,P06,Dabrafenib,CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F,HSA,519.5740000000002
5984,8FND,ELECTRON MICROSCOPY,2022-12-27,2023-08-09,DLU,68.0,IC50,nM,8FND,8.0,3,experimental,10.1126/sciadv.adg5953,,Human immunodeficiency virus 1,DNA (25-MER),3.0,DLU,"(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide",CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O,HSA,419.38400000000007
5991,8FNJ,ELECTRON MICROSCOPY,2022-12-27,2023-08-09,DLU,0.6800000072,IC50,nM,8FNJ,8.0,2.4,experimental,10.1126/sciadv.adg5953,,Human immunodeficiency virus 1,DNA (25-MER),3.0,DLU,"(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide",CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O,HSA,419.38400000000007
5998,8FNP,ELECTRON MICROSCOPY,2022-12-28,2023-08-09,DLU,1.5,EC50,nM,8FNP,8.0,2.2,experimental,10.1126/sciadv.adg5953,,Human immunodeficiency virus 1,DNA (25-MER),3.0,DLU,"(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide",CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O,HSA,419.38400000000007
6005,8P29,X-RAY DIFFRACTION,2023-05-15,2023-11-22,,,,,8P29,3.0,2.06,experimental,10.1016/j.bmcl.2023.129488,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
6007,8P29,X-RAY DIFFRACTION,2023-05-15,2023-11-22,,,,,8P29,3.0,2.06,experimental,10.1016/j.bmcl.2023.129488,Escherichia coli,Homo sapiens,Transcriptional enhancer factor TEF-4,1.0,WJC,5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid,Cc1ccc(c(c1)C(=O)O)Nc2cccc(c2)OCc3ccccc3,HSA,333.38700000000006
6008,8Q3D,X-RAY DIFFRACTION,2023-08-04,2024-08-14,,,,,8Q3D,11.0,2.15,experimental,10.1016/j.str.2024.08.001,synthetic construct,unidentified,GNCFSKPR(NH2) inhibitor peptide,3.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
6012,3OHX,X-RAY DIFFRACTION,2010-08-18,2010-09-01,,,,,3OHX,2.0,3.503,experimental,10.1016/j.jmb.2010.07.029,Escherichia coli,Staphylococcus aureus subsp. aureus Mu50,Staphylococcal complement inhibitor,4.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
6016,1A27,X-RAY DIFFRACTION,1998-01-16,1998-05-27,,,,,1A27,2.0,1.9,experimental,,unidentified baculovirus,Homo sapiens,17-BETA-HYDROXYSTEROID-DEHYDROGENASE,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
6017,1A27,X-RAY DIFFRACTION,1998-01-16,1998-05-27,,,,,1A27,2.0,1.9,experimental,,unidentified baculovirus,Homo sapiens,17-BETA-HYDROXYSTEROID-DEHYDROGENASE,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
6018,1BRP,X-RAY DIFFRACTION,1992-07-27,1994-01-31,,,,,1BRP,1.0,2.5,experimental,10.1006/jmbi.1993.1173,,Homo sapiens,RETINOL BINDING PROTEIN,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
6019,1FKB,X-RAY DIFFRACTION,1992-07-02,1993-10-31,RAP,20.0,IC50,nM,1FKB,1.0,1.7,experimental,,,Homo sapiens,FK506 BINDING PROTEIN,1.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
6028,1FKF,X-RAY DIFFRACTION,1991-05-07,1991-07-15,FK5,0.400000006,Ki,nM,1FKF,1.0,1.7,experimental,,,Homo sapiens,FK506 BINDING PROTEIN,1.0,FK5,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,HSA,804.0310000000002
6035,1RBP,X-RAY DIFFRACTION,1990-04-02,1991-07-15,,,,,1RBP,1.0,2,experimental,10.1002/prot.340080108,,Homo sapiens,PLASMA RETINOL-BINDING PROTEIN PRECURSOR,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
6036,1SKX,X-RAY DIFFRACTION,2004-03-05,2005-03-08,RFP,2000.0,EC50,nM,1SKX,1.0,2.8,experimental,10.1210/me.2004-0346,Escherichia coli,Homo sapiens,Orphan nuclear receptor PXR,1.0,RFP,RIFAMPICIN,Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C)C)C)O)C)O)C)OC(=O)C)C)OC)C)O,HSA,822.9529999999999
6048,1V3Q,X-RAY DIFFRACTION,2003-11-04,2004-01-20,,,,,1V3Q,4.0,2.8,experimental,10.1016/j.bbrc.2003.11.179,Escherichia coli,Homo sapiens,Purine nucleoside phosphorylase,1.0,2DI,"9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE",c1nc2c(n1C3CCC(O3)CO)N=CNC2=O,HSA,236.231
6050,3VF0,X-RAY DIFFRACTION,2012-01-09,2012-07-25,,,,,3VF0,14.0,2.54,experimental,10.1016/j.jmb.2012.06.015,Escherichia coli BL21,Homo sapiens,Ribonucleoprotein PTB-binding 1,2.0,EPE,4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID,C1CN(CCN1CCO)CCS(=O)(=O)O,HSA,238.309
6053,3VLN,X-RAY DIFFRACTION,2011-12-02,2012-05-16,,,,,3VLN,8.0,1.7,experimental,10.1016/j.jmb.2012.04.014,Escherichia coli,Homo sapiens,Glutathione S-transferase omega-1,1.0,ASC,ASCORBIC ACID,C(C(C1C(=C(C(=O)O1)O)O)O)O,HSA,176.124
6061,5FHZ,X-RAY DIFFRACTION,2015-12-22,2016-11-02,,,,,5FHZ,12.0,2.9,experimental,10.1038/srep35710,Escherichia coli BL21(DE3),Homo sapiens,Aldehyde dehydrogenase family 1 member A3,1.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
6062,5FHZ,X-RAY DIFFRACTION,2015-12-22,2016-11-02,,,,,5FHZ,12.0,2.9,experimental,10.1038/srep35710,Escherichia coli BL21(DE3),Homo sapiens,Aldehyde dehydrogenase family 1 member A3,1.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
6063,5NTY,X-RAY DIFFRACTION,2017-04-28,2018-03-07,,,,,5NTY,2.0,2,experimental,10.1016/j.bbalip.2018.01.010,,Homo sapiens,Retinol-binding protein 4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6066,5NU2,X-RAY DIFFRACTION,2017-04-28,2018-03-07,,,,,5NU2,3.0,1.5,experimental,10.1016/j.bbalip.2018.01.010,,Homo sapiens,Retinol-binding protein 4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6068,5NU6,X-RAY DIFFRACTION,2017-04-28,2018-03-07,,,,,5NU6,3.0,1.68,experimental,10.1016/j.bbalip.2018.01.010,,Homo sapiens,Retinol-binding protein 4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6070,6EHJ,X-RAY DIFFRACTION,2017-09-13,2019-03-27,,,,,6EHJ,25.0,2.1,experimental,10.1038/s41467-020-14847-3,Escherichia coli,Homo sapiens,Glycylpeptide N-tetradecanoyltransferase 1,1.0,MYA,TETRADECANOYL-COA,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,HSA,977.9020000000005
6076,6EHJ,X-RAY DIFFRACTION,2017-09-13,2019-03-27,,,,,6EHJ,25.0,2.1,experimental,10.1038/s41467-020-14847-3,Escherichia coli,Homo sapiens,Glycylpeptide N-tetradecanoyltransferase 1,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
6077,6EHJ,X-RAY DIFFRACTION,2017-09-13,2019-03-27,,,,,6EHJ,25.0,2.1,experimental,10.1038/s41467-020-14847-3,Escherichia coli,Homo sapiens,Glycylpeptide N-tetradecanoyltransferase 1,1.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
6082,8P0M,X-RAY DIFFRACTION,2023-05-10,2024-04-10,,,,,8P0M,11.0,1.961,experimental,10.1038/s43018-024-00754-9,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,Transcriptional enhancer factor TEF-5,2.0,1PG,2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL,COCCOCCOCCOCCOCCO,HSA,252.30699999999993
6086,9DHZ,ELECTRON MICROSCOPY,2024-09-04,2025-07-16,,,,,9DHZ,8.0,3.1,experimental,10.1038/s41467-024-53691-7,,Sus scrofa,Tubulin alpha-1B chain,3.0,TA1,TAXOL,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C,HSA,853.9180000000003
6096,1BKF,X-RAY DIFFRACTION,1995-10-18,1996-08-01,FK5,0.400000006,Ki,nM,1BKF,1.0,1.6,experimental,,Escherichia coli,Homo sapiens,FK506 BINDING PROTEIN,1.0,FK5,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,HSA,804.0310000000002
6103,1C9H,X-RAY DIFFRACTION,1999-08-02,2000-08-03,RAP,0.200000003,Kd,nM,1C9H,1.0,2,experimental,10.1107/S0907444999016571,Escherichia coli,Homo sapiens,FKBP12.6,1.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
6104,1CTP,X-RAY DIFFRACTION,1993-04-08,1994-01-31,,,,,1CTP,1.0,2.9,experimental,10.1107/S0907444993002306,,Homo sapiens,"cAMP-dependent protein kinase inhibitor, alpha form",2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
6106,2FKE,X-RAY DIFFRACTION,1993-01-27,1994-01-31,FK5,1000.0,IC50,nM,2FKE,1.0,1.72,experimental,,,Homo sapiens,FK506 BINDING PROTEIN,1.0,FK5,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,HSA,804.0310000000002
6114,2M5Q,SOLUTION NMR,2013-03-04,2013-03-27,,,,,2M5Q,3.0,,experimental,,,Homo sapiens,Glucagon,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6115,4XUF,X-RAY DIFFRACTION,2015-01-25,2015-04-15,P30,1.399999976,Kd,nM,4XUF,2.0,3.2,experimental,10.1371/journal.pone.0121177,unidentified baculovirus,Homo sapiens,Receptor-type tyrosine-protein kinase FLT3,1.0,P30,"1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea",CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6,HSA,560.6800000000002
6158,4Y03,X-RAY DIFFRACTION,2015-02-05,2015-05-20,,,,,4Y03,3.0,1.94,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Protein polybromo-1,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
6159,4YVP,X-RAY DIFFRACTION,2015-03-20,2015-11-25,,,,,4YVP,4.0,2.6,experimental,10.1016/j.cbi.2015.09.006,Escherichia coli,Homo sapiens,Aldo-keto reductase family 1 member C1,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
6160,4YVP,X-RAY DIFFRACTION,2015-03-20,2015-11-25,,,,,4YVP,4.0,2.6,experimental,10.1016/j.cbi.2015.09.006,Escherichia coli,Homo sapiens,Aldo-keto reductase family 1 member C1,1.0,GBM,5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide,COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl,HSA,494.01300000000026
6161,5NU7,X-RAY DIFFRACTION,2017-04-28,2018-03-07,,,,,5NU7,2.0,1.5,experimental,10.1016/j.bbalip.2018.01.010,,Homo sapiens,Retinol-binding protein 4,1.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
6164,5NU8,X-RAY DIFFRACTION,2017-04-28,2018-03-07,,,,,5NU8,3.0,1.59,experimental,10.1016/j.bbalip.2018.01.010,,Homo sapiens,Retinol-binding protein 4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6166,5NU9,X-RAY DIFFRACTION,2017-04-28,2018-03-07,,,,,5NU9,3.0,1.5,experimental,10.1016/j.bbalip.2018.01.010,,Homo sapiens,Retinol-binding protein 4,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6167,6HJ2,X-RAY DIFFRACTION,2018-08-31,2020-03-25,P06,87.0,EC50,nM,6HJ2,2.0,2.28,experimental,10.1021/acs.jmedchem.1c01354,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,P06,Dabrafenib,CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F,HSA,519.5740000000002
6169,6MLQ,ELECTRON MICROSCOPY,2018-09-27,2019-05-01,TA1,520.0,EC50,nM,6MLQ,6.0,4.2,experimental,10.1016/j.devcel.2019.04.001,Escherichia coli BL21(DE3),Homo sapiens,Kinesin-like protein KIF7,3.0,TA1,TAXOL,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C,HSA,853.9180000000003
6174,7TX6,ELECTRON MICROSCOPY,2022-02-07,2022-09-21,MTX,12.0,IC50,nM,7TX6,2.0,3.3,experimental,10.1038/s41586-022-05168-0,Homo sapiens,"Homo sapiens, Escherichia coli","Reduced folate transporter,Soluble cytochrome b562",1.0,MTX,METHOTREXATE,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,HSA,454.44700000000023
6177,7Z39,X-RAY DIFFRACTION,2022-03-01,2022-10-12,,,,,7Z39,6.0,1.6,experimental,10.1107/S2053230X22008767,Escherichia coli BL21(DE3),Homo sapiens,Casein kinase II subunit alpha,1.0,ICQ,2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide,CC(C)NC(=O)COc1cccc(c1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5,HSA,452.51800000000014
6179,9EPO,ELECTRON MICROSCOPY,2024-03-19,2024-10-02,,,,,9EPO,6.0,1.9,experimental,10.1038/s41467-024-51664-4,Spodoptera frugiperda,Homo sapiens,Frizzled-7,1.0,Y01,CHOLESTEROL HEMISUCCINATE,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C,HSA,486.73700000000036
6180,9EPO,ELECTRON MICROSCOPY,2024-03-19,2024-10-02,,,,,9EPO,6.0,1.9,experimental,10.1038/s41467-024-51664-4,Spodoptera frugiperda,Homo sapiens,Frizzled-7,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6183,6A93,X-RAY DIFFRACTION,2018-07-11,2019-02-13,,,,,6A93,9.0,3,experimental,10.1038/s41594-018-0180-z,Spodoptera frugiperda,"Homo sapiens, Escherichia coli","5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,8NU,"3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one",CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F,HSA,410.49300000000017
6184,6A93,X-RAY DIFFRACTION,2018-07-11,2019-02-13,,,,,6A93,9.0,3,experimental,10.1038/s41594-018-0180-z,Spodoptera frugiperda,"Homo sapiens, Escherichia coli","5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
6186,6A93,X-RAY DIFFRACTION,2018-07-11,2019-02-13,,,,,6A93,9.0,3,experimental,10.1038/s41594-018-0180-z,Spodoptera frugiperda,"Homo sapiens, Escherichia coli","5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,1PE,PENTAETHYLENE GLYCOL,C(COCCOCCOCCOCCO)O,HSA,238.27999999999994
6187,6A93,X-RAY DIFFRACTION,2018-07-11,2019-02-13,,,,,6A93,9.0,3,experimental,10.1038/s41594-018-0180-z,Spodoptera frugiperda,"Homo sapiens, Escherichia coli","5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6188,1BSX,X-RAY DIFFRACTION,1998-08-31,1999-08-26,T3,0.08100000024,Kd,nM,1BSX,2.0,3.7,experimental,,Escherichia coli BL21(DE3),Homo sapiens,PROTEIN (THYROID HORMONE RECEPTOR BETA),1.0,T3,"3,5,3'TRIIODOTHYRONINE",c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O,HSA,650.9760000000001
6211,1FDT,X-RAY DIFFRACTION,1996-06-28,1997-02-12,,,,,1FDT,3.0,2.2,experimental,10.1016/S0969-2126(96)00098-6,unidentified baculovirus,Homo sapiens,17-BETA-HYDROXYSTEROID-DEHYDROGENASE,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
6212,1FDT,X-RAY DIFFRACTION,1996-06-28,1997-02-12,,,,,1FDT,3.0,2.2,experimental,10.1016/S0969-2126(96)00098-6,unidentified baculovirus,Homo sapiens,17-BETA-HYDROXYSTEROID-DEHYDROGENASE,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
6213,1HWK,X-RAY DIFFRACTION,2001-01-09,2001-05-11,117,930.0,IC50,nM,1HWK,9.0,2.22,experimental,10.1126/science.1059344,Escherichia coli,Homo sapiens,HMG-COA REDUCTASE,1.0,ADP,ADENOSINE-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N,HSA,427.2030000000001
6222,1YA4,X-RAY DIFFRACTION,2004-12-17,2005-08-02,,,,,1YA4,18.0,3.2,experimental,10.1016/j.jmb.2005.07.016,Spodoptera frugiperda,Homo sapiens,CES1 protein,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
6223,1YA4,X-RAY DIFFRACTION,2004-12-17,2005-08-02,,,,,1YA4,18.0,3.2,experimental,10.1016/j.jmb.2005.07.016,Spodoptera frugiperda,Homo sapiens,CES1 protein,1.0,SIA,N-acetyl-alpha-neuraminic acid,CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O,HSA,309.271
6225,1YA4,X-RAY DIFFRACTION,2004-12-17,2005-08-02,,,,,1YA4,18.0,3.2,experimental,10.1016/j.jmb.2005.07.016,Spodoptera frugiperda,Homo sapiens,CES1 protein,1.0,CTX,"(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE",CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3,HSA,371.52400000000006
6227,2M5P,SOLUTION NMR,2013-03-03,2013-03-27,,,,,2M5P,3.0,,experimental,,,Homo sapiens,Glucagon,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6228,4JQ4,X-RAY DIFFRACTION,2013-03-19,2014-04-02,IMN,96000.0,IC50,nM,4JQ4,12.0,1.52,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Aldo-keto reductase family 1 member C2,1.0,IMN,INDOMETHACIN,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,HSA,357.7930000000001
6247,4RT7,X-RAY DIFFRACTION,2014-11-13,2015-04-22,P30,0.5099999905,IC50,nM,4RT7,1.0,3.1,experimental,10.1158/2159-8290.CD-15-0060,Spodoptera frugiperda,Homo sapiens,Receptor-type tyrosine-protein kinase FLT3,1.0,P30,"1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea",CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6,HSA,560.6800000000002
6289,4TUS,X-RAY DIFFRACTION,2014-06-24,2014-10-01,,,,,4TUS,6.0,2.42,experimental,10.1074/jbc.M114.605451,,Homo sapiens,DNA (5'-D(P*GP*TP*GP*GP*G)-3'),4.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
6293,5HKG,X-RAY DIFFRACTION,2016-01-14,2016-10-05,RAP,0.200000003,Kd,nM,5HKG,8.0,1.5,experimental,10.1002/pro.3051,synthetic construct,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP1B,1.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
6296,6I2I,ELECTRON MICROSCOPY,2018-11-01,2019-08-28,,,,,6I2I,5.0,3.6,experimental,10.1126/scisignal.aaw2939,,Homo sapiens,Tubulin beta chain,2.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
6300,6MLR,ELECTRON MICROSCOPY,2018-09-27,2019-05-01,TA1,520.0,EC50,nM,6MLR,4.0,4.2,experimental,10.1016/j.devcel.2019.04.001,Escherichia coli BL21(DE3),Homo sapiens,Kinesin-like protein KIF7,3.0,ANP,PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N,HSA,506.1980000000001
6304,6U6B,X-RAY DIFFRACTION,2019-08-29,2020-09-09,,,,,6U6B,6.0,3.108,experimental,10.1042/BCJ20190906,,Homo sapiens,DNA (5'-D(P*GP*TP*GP*GP*G)-3'),4.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
6308,6VLT,X-RAY DIFFRACTION,2020-01-25,2020-09-30,,,,,6VLT,27.0,3.12,experimental,10.1124/molpharm.120.000042,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
6309,6VLT,X-RAY DIFFRACTION,2020-01-25,2020-09-30,,,,,6VLT,27.0,3.12,experimental,10.1124/molpharm.120.000042,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,LSN,"[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol",CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,HSA,422.9200000000001
6310,6VLT,X-RAY DIFFRACTION,2020-01-25,2020-09-30,,,,,6VLT,27.0,3.12,experimental,10.1124/molpharm.120.000042,Escherichia coli,Homo sapiens,Cytochrome P450 2C9,1.0,CM5,5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE,C1CCC(CC1)CCCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O,HSA,494.5780000000002
6312,6ZPI,ELECTRON MICROSCOPY,2020-07-08,2020-12-30,,,,,6ZPI,6.0,4.5,experimental,10.7554/eLife.61481,,Sus scrofa,Tubulin beta chain,3.0,TA1,TAXOL,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C,HSA,853.9180000000003
6319,6RUV,X-RAY DIFFRACTION,2019-05-29,2019-08-21,,,,,6RUV,23.0,6.15,experimental,10.3389/fimmu.2019.02007,Escherichia coli,Lama glama,Nanobody hFPNb1,1.0,MAN,alpha-D-mannopyranose,C(C1C(C(C(C(O1)O)O)O)O)O,HSA,180.156
6326,1PWY,X-RAY DIFFRACTION,2003-07-02,2004-03-23,AC2,180000.0,Ki,nM,1PWY,4.0,2.8,experimental,10.1016/S0006-291X(03)01433-5,Escherichia coli,Homo sapiens,Purine nucleoside phosphorylase,1.0,AC2,9-HYROXYETHOXYMETHYLGUANINE,c1nc2c(n1COCCO)N=C(NC2=O)N,HSA,225.208
6328,2DQY,X-RAY DIFFRACTION,2006-06-02,2006-08-29,,,,,2DQY,18.0,3,experimental,10.1016/j.jmb.2006.08.025,Spodoptera frugiperda,Homo sapiens,Liver carboxylesterase 1,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
6329,2DQY,X-RAY DIFFRACTION,2006-06-02,2006-08-29,,,,,2DQY,18.0,3,experimental,10.1016/j.jmb.2006.08.025,Spodoptera frugiperda,Homo sapiens,Liver carboxylesterase 1,1.0,SIA,N-acetyl-alpha-neuraminic acid,CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O,HSA,309.271
6331,2DQY,X-RAY DIFFRACTION,2006-06-02,2006-08-29,,,,,2DQY,18.0,3,experimental,10.1016/j.jmb.2006.08.025,Spodoptera frugiperda,Homo sapiens,Liver carboxylesterase 1,1.0,CHD,CHOLIC ACID,CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C,HSA,408.5790000000002
6332,2DQY,X-RAY DIFFRACTION,2006-06-02,2006-08-29,,,,,2DQY,18.0,3,experimental,10.1016/j.jmb.2006.08.025,Spodoptera frugiperda,Homo sapiens,Liver carboxylesterase 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6333,4ZCG,X-RAY DIFFRACTION,2015-04-15,2015-06-03,,,,,4ZCG,10.0,2.22,experimental,10.1074/jbc.M115.659680,Pichia,Homo sapiens,Gamma-glutamyltranspeptidase 1 light chain,2.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
6339,5MRA,X-RAY DIFFRACTION,2016-12-22,2017-11-29,,,,,5MRA,12.0,3.74,experimental,10.1038/cddis.2017.342,Escherichia coli,Homo sapiens,Sorcin,1.0,DM2,DOXORUBICIN,CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,HSA,543.5250000000003
6340,5NKN,X-RAY DIFFRACTION,2017-03-31,2018-04-04,,,,,5NKN,1.0,2.2,experimental,10.1515/hsz-2018-0342,Escherichia coli,Homo sapiens,Neutrophil gelatinase-associated lipocalin,1.0,LOC,"N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide",CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,HSA,399.44300000000015
6341,5V4Q,X-RAY DIFFRACTION,2017-03-10,2017-04-19,,,,,5V4Q,10.0,2.2,experimental,10.1002/pro.3172,Komagataella pastoris,Homo sapiens,Gamma-glutamyltranspeptidase 1 light chain,2.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
6345,7YXC,X-RAY DIFFRACTION,2022-02-15,2022-12-07,,,,,7YXC,4.0,2.25,experimental,10.1093/nar/gkac1119,synthetic construct,Homo sapiens,SHP NR Box 1 Peptide,2.0,DEX,DEXAMETHASONE,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,HSA,392.4670000000001
6348,8HBF,ELECTRON MICROSCOPY,2022-10-28,2023-04-19,,,,,8HBF,6.0,3.1,experimental,10.1016/j.niox.2023.03.002,Spodoptera frugiperda,Homo sapiens,Guanylate cyclase soluble subunit beta-1,2.0,G2P,PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER,c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N,HSA,521.209
6353,8RH7,ELECTRON MICROSCOPY,2023-12-15,2024-08-28,,,,,8RH7,61.0,2.78,experimental,,Homo sapiens,Homo sapiens,Gamma-aminobutyric acid receptor subunit rho-1,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
6356,8RH7,ELECTRON MICROSCOPY,2023-12-15,2024-08-28,,,,,8RH7,61.0,2.78,experimental,,Homo sapiens,Homo sapiens,Gamma-aminobutyric acid receptor subunit rho-1,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
6359,9C0G,ELECTRON MICROSCOPY,2024-05-25,2025-02-12,,,,,9C0G,6.0,2.6,experimental,10.1038/s44318-025-00368-6,Homo sapiens,Homo sapiens,Solute carrier family 12 member 2,1.0,A1ATU,Torasemide,Cc1cccc(c1)Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C,HSA,348.42800000000005
6362,1HWL,X-RAY DIFFRACTION,2001-01-09,2001-05-11,,,,,1HWL,7.0,2.1,experimental,10.1126/science.1059344,Escherichia coli,Homo sapiens,HMG-COA REDUCTASE,1.0,ADP,ADENOSINE-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N,HSA,427.2030000000001
6363,1HWL,X-RAY DIFFRACTION,2001-01-09,2001-05-11,,,,,1HWL,7.0,2.1,experimental,10.1126/science.1059344,Escherichia coli,Homo sapiens,HMG-COA REDUCTASE,1.0,FBI,"7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID",CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CCC(CC(CC(=O)O)O)O,HSA,483.56200000000024
6374,2DQZ,X-RAY DIFFRACTION,2006-06-02,2006-08-29,,,,,2DQZ,23.0,2.8,experimental,10.1016/j.jmb.2006.08.025,Spodoptera frugiperda,Homo sapiens,Liver carboxylesterase 1,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
6375,2DQZ,X-RAY DIFFRACTION,2006-06-02,2006-08-29,,,,,2DQZ,23.0,2.8,experimental,10.1016/j.jmb.2006.08.025,Spodoptera frugiperda,Homo sapiens,Liver carboxylesterase 1,1.0,SIA,N-acetyl-alpha-neuraminic acid,CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O,HSA,309.271
6378,2DQZ,X-RAY DIFFRACTION,2006-06-02,2006-08-29,,,,,2DQZ,23.0,2.8,experimental,10.1016/j.jmb.2006.08.025,Spodoptera frugiperda,Homo sapiens,Liver carboxylesterase 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6379,2DQZ,X-RAY DIFFRACTION,2006-06-02,2006-08-29,,,,,2DQZ,23.0,2.8,experimental,10.1016/j.jmb.2006.08.025,Spodoptera frugiperda,Homo sapiens,Liver carboxylesterase 1,1.0,HTQ,HOMOTROPINE,CN1C2CCC1CC(C2)OC(=O)C(c3ccccc3)O,HSA,275.348
6380,2DQZ,X-RAY DIFFRACTION,2006-06-02,2006-08-29,,,,,2DQZ,23.0,2.8,experimental,10.1016/j.jmb.2006.08.025,Spodoptera frugiperda,Homo sapiens,Liver carboxylesterase 1,1.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
6381,4Z9O,X-RAY DIFFRACTION,2015-04-10,2015-06-03,,,,,4Z9O,11.0,2.3,experimental,10.1074/jbc.M115.659680,Pichia,Homo sapiens,Gamma-glutamyltranspeptidase 1,2.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
6385,4ZC6,X-RAY DIFFRACTION,2015-04-15,2015-06-03,,,,,4ZC6,10.0,2.1,experimental,10.1074/jbc.M115.659680,Pichia,Homo sapiens,Gamma-glutamyltranspeptidase 1 light chain,2.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
6389,5XG4,X-RAY DIFFRACTION,2017-04-11,2017-07-26,QUE,20000.0,IC50,nM,5XG4,2.0,3,experimental,10.1039/c6fo01825d,Komagataella pastoris,Homo sapiens,Urokinase-type plasminogen activator,1.0,PG6,1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE,COCCOCCOCCOCCOCCOC,HSA,266.33399999999995
6391,7YXD,X-RAY DIFFRACTION,2022-02-15,2022-12-07,,,,,7YXD,5.0,2.3,experimental,10.1093/nar/gkac1119,synthetic construct,Homo sapiens,SHP NR Box 1 Peptide,2.0,DEX,DEXAMETHASONE,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,HSA,392.4670000000001
6393,7YXN,X-RAY DIFFRACTION,2022-02-16,2022-12-07,,,,,7YXN,6.0,2.46,experimental,10.1093/nar/gkac1119,,Homo sapiens,SHP NR Box 1 Peptide,2.0,DEX,DEXAMETHASONE,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,HSA,392.4670000000001
6395,7YXP,X-RAY DIFFRACTION,2022-02-16,2022-12-07,,,,,7YXP,3.0,3.36,experimental,10.1093/nar/gkac1119,,Homo sapiens,SHP NR Box 1 Peptide,2.0,DEX,DEXAMETHASONE,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,HSA,392.4670000000001
6397,8RH4,ELECTRON MICROSCOPY,2023-12-14,2024-08-28,,,,,8RH4,62.0,2.52,experimental,,Homo sapiens,Homo sapiens,Gamma-aminobutyric acid receptor subunit rho-1,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
6401,8RH4,ELECTRON MICROSCOPY,2023-12-14,2024-08-28,,,,,8RH4,62.0,2.52,experimental,,Homo sapiens,Homo sapiens,Gamma-aminobutyric acid receptor subunit rho-1,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
6403,8STE,ELECTRON MICROSCOPY,2023-05-10,2023-05-17,,,,,8STE,2.0,3.34,experimental,10.1126/sciadv.abq0952,Homo sapiens,Homo sapiens,Solute carrier family 12 member 2,1.0,FUN,5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID,c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl,HSA,330.749
6404,1H2U,X-RAY DIFFRACTION,2002-08-16,2002-10-17,,,,,1H2U,4.0,2.4,experimental,10.1093/EMBOJ/CDF538,Escherichia coli BL21,Homo sapiens,20 KDA NUCLEAR CAP BINDING PROTEIN,2.0,GDP,GUANOSINE-5'-DIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,443.20200000000006
6406,8JXS,ELECTRON MICROSCOPY,2023-07-01,2024-09-04,,,,,8JXS,1.0,3,experimental,10.1016/j.neuron.2024.07.003,Spodoptera frugiperda,Mus musculus,Fab 8D3 light chain,5.0,V6X,"4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine",Cc1cc(ccc1c2c(ncc3n2ccn3)C)Oc4c5ccoc5ccn4,HSA,356.38500000000005
6414,1FKJ,X-RAY DIFFRACTION,1995-08-18,1995-12-07,FK5,14.0,IC50,nM,1FKJ,1.0,1.7,experimental,10.1107/S0907444994014514,Escherichia coli,Homo sapiens,FK506 BINDING PROTEIN,1.0,FK5,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,HSA,804.0310000000002
6439,3GN8,X-RAY DIFFRACTION,2009-03-16,2009-09-22,,,,,3GN8,2.0,2.5,experimental,10.1038/nature08249,,,Nuclear receptor coactivator 2,2.0,DEX,DEXAMETHASONE,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,HSA,392.4670000000001
6452,5UR9,X-RAY DIFFRACTION,2017-02-09,2017-08-23,8KS,790.0,Ki,nM,5UR9,29.0,2.198003437,experimental,10.1021/acs.biochem.7b00194,Escherichia coli BL21(DE3),Homo sapiens,"Fatty acid-binding protein, epidermal",1.0,1PE,PENTAETHYLENE GLYCOL,C(COCCOCCOCCOCCO)O,HSA,238.27999999999994
6456,6JQR,X-RAY DIFFRACTION,2019-04-01,2019-11-20,C6F,2.0,IC50,nM,6JQR,8.0,2.2,experimental,10.18632/oncotarget.27222,,Homo sapiens,"Receptor-type tyrosine-protein kinase FLT3,Receptor-type tyrosine-protein kinase FLT3",1.0,C6F,6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide,CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5,HSA,552.7240000000004
6470,7D9R,ELECTRON MICROSCOPY,2020-10-14,2021-08-11,,,,,7D9R,5.0,3.7,experimental,10.1038/s41467-021-25617-0,Spodoptera frugiperda,Homo sapiens,Guanylate cyclase soluble subunit beta-1,2.0,G2P,PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER,c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N,HSA,521.209
6474,7N3N,ELECTRON MICROSCOPY,2021-06-01,2022-09-28,,,,,7N3N,2.0,3.33,experimental,10.1126/sciadv.abq0952,,Homo sapiens,Solute carrier family 12 member 2,1.0,FUN,5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID,c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl,HSA,330.749
6475,7OPN,X-RAY DIFFRACTION,2021-06-01,2021-09-01,RAL,0.8700000048,Ki,nM,7OPN,21.0,2.6,experimental,10.1021/acs.jmedchem.1c01125,Escherichia coli K-12,Homo sapiens,Aldehyde oxidase,1.0,FES,FE2/S2 (INORGANIC) CLUSTER,S1[Fe]S[Fe]1,HSA,175.824
6484,7YXO,X-RAY DIFFRACTION,2022-02-16,2022-12-07,,,,,7YXO,8.0,2.99,experimental,10.1093/nar/gkac1119,,Homo sapiens,SHP NR Box 1 Peptide,2.0,DEX,DEXAMETHASONE,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,HSA,392.4670000000001
6490,8JXR,ELECTRON MICROSCOPY,2023-07-01,2024-09-04,,,,,8JXR,1.0,3.57,experimental,10.1016/j.neuron.2024.07.003,Spodoptera frugiperda,Mus musculus,Fab 8D3 light chain,5.0,7LD,"(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide",CCN(CC)C(=O)C1CN(C2Cc3c[nH]c4c3c(ccc4)C2=C1)C,HSA,323.44000000000005
6495,8XVK,ELECTRON MICROSCOPY,2024-01-15,2024-08-28,,,,,8XVK,1.0,3.21,experimental,10.1038/s41421-024-00705-9,Mammalian expression vector Flag-MCS-pcDNA3.1,Homo sapiens,anti-BRIL Fab Heavy chain,1.0,A1D5J,Ambrisentan,Cc1cc(nc(n1)OC(C(=O)O)C(c2ccccc2)(c3ccccc3)OC)C,HSA,378.4280000000001
6499,5C9J,X-RAY DIFFRACTION,2015-06-27,2016-03-02,,,,,5C9J,9.0,2.4,experimental,10.1073/pnas.1519246113,Escherichia coli BL21(DE3),Homo sapiens,Beta-2-microglobulin,2.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
6503,6IGK,X-RAY DIFFRACTION,2018-09-25,2018-11-21,,,,,6IGK,13.0,2,experimental,10.1038/s41467-018-07094-0,,Homo sapiens,Endothelin-3,2.0,OLC,"(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O,HSA,356.547
6505,8SRR,ELECTRON MICROSCOPY,2023-05-06,2024-09-25,,,,,8SRR,1.0,3.22,experimental,10.7554/eLife.91432,Trichoplusia ni,Homo sapiens,Nuclear cap-binding protein subunit 1,1.0,M7G,7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE,C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O,HSA,458.2370000000001
6508,8XVL,ELECTRON MICROSCOPY,2024-01-15,2024-08-28,,,,,8XVL,1.0,3.22,experimental,10.1038/s41421-024-00705-9,Spodoptera frugiperda,"Acetivibrio thermocellus ATCC 27405, Homo sapiens, Escherichia coli","Endoglucanase H,Endothelin-1 receptor,Soluble cytochrome b562",4.0,A1D5L,Zibotentan,Cc1cnc(c(n1)OC)NS(=O)(=O)c2cccnc2c3ccc(cc3)c4nnco4,HSA,424.4420000000002
6512,1YI4,X-RAY DIFFRACTION,2005-01-11,2005-01-25,,,,,1YI4,1.0,2.4,experimental,10.1074/jbc.M413155200,Escherichia coli,Homo sapiens,Proto-oncogene serine/threonine-protein kinase Pim-1,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
6513,3NSQ,X-RAY DIFFRACTION,2010-07-02,2010-11-17,,,,,3NSQ,1.0,2.6,experimental,10.1074/jbc.M110.166215,Escherichia coli,Homo sapiens,"Retinoid X receptor, alpha",1.0,CHZ,"1,8-dihydroxyanthracene-9,10-dione",c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O,HSA,240.21399999999997
6514,4LZR,X-RAY DIFFRACTION,2013-08-01,2014-01-15,,,,,4LZR,1.0,1.85,experimental,10.1002/anie.201307652,Escherichia coli BL21(DE3),Homo sapiens,Bromodomain-containing protein 4,1.0,LOC,"N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide",CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,HSA,399.44300000000015
6515,6AJZ,"X-RAY DIFFRACTION, NEUTRON DIFFRACTION",2018-08-28,2019-06-12,,,,,6AJZ,2.0,"1.301, 1.847",experimental,10.1111/febs.14736,Escherichia coli,Homo sapiens,Bromodomain-containing protein 4,1.0,LOC,"N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide",CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,HSA,399.44300000000015
6526,7P7F,X-RAY DIFFRACTION,2021-07-19,2022-04-13,,,,,7P7F,31.0,1.96,experimental,10.1016/j.molcel.2022.03.005,Escherichia coli BL21(DE3),Homo sapiens,Casein kinase I isoform delta,1.0,AMP,ADENOSINE MONOPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N,HSA,347.22400000000005
6527,7P7F,X-RAY DIFFRACTION,2021-07-19,2022-04-13,,,,,7P7F,31.0,1.96,experimental,10.1016/j.molcel.2022.03.005,Escherichia coli BL21(DE3),Homo sapiens,Casein kinase I isoform delta,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
6528,7YXR,X-RAY DIFFRACTION,2022-02-16,2022-12-07,,,,,7YXR,5.0,2.5,experimental,10.1093/nar/gkac1119,synthetic construct,Homo sapiens,SHP NR Box 1 Peptide,2.0,DEX,DEXAMETHASONE,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,HSA,392.4670000000001
6531,8EIG,ELECTRON MICROSCOPY,2022-09-15,2022-10-19,,,,,8EIG,6.0,3.6,experimental,10.1126/science.ade2216,Homo sapiens,Homo sapiens,Cystic fibrosis transmembrane conductance regulator,1.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
6532,8EIG,ELECTRON MICROSCOPY,2022-09-15,2022-10-19,,,,,8EIG,6.0,3.6,experimental,10.1126/science.ade2216,Homo sapiens,Homo sapiens,Cystic fibrosis transmembrane conductance regulator,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
6533,8EIG,ELECTRON MICROSCOPY,2022-09-15,2022-10-19,,,,,8EIG,6.0,3.6,experimental,10.1126/science.ade2216,Homo sapiens,Homo sapiens,Cystic fibrosis transmembrane conductance regulator,1.0,WJX,"(6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide",Cc1c(cn(n1)C)S(=O)(=O)NC(=O)c2ccc(nc2N3CC(CC3(C)C)C)n4ccc(n4)OCC(C)(C)C(F)(F)F,HSA,597.6640000000004
6534,8UC7,ELECTRON MICROSCOPY,2023-09-25,2024-07-31,,,,,8UC7,16.0,2.9,experimental,10.1038/s41586-024-07743-z,Homo sapiens,Homo sapiens,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1,1.0,PFL,"2,6-BIS(1-METHYLETHYL)PHENOL",CC(C)c1cccc(c1O)C(C)C,HSA,178.27499999999998
6535,8UC7,ELECTRON MICROSCOPY,2023-09-25,2024-07-31,,,,,8UC7,16.0,2.9,experimental,10.1038/s41586-024-07743-z,Homo sapiens,Homo sapiens,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1,1.0,PCW,"1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,787.1369999999993
6541,8UTS,ELECTRON MICROSCOPY,2023-10-31,2024-06-12,TA1,520.0,EC50,nM,8UTS,4.0,2.7,experimental,10.1038/s41467-024-48720-4,,Sus scrofa,Tubulin beta-2B chain,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
6550,9KDF,ELECTRON MICROSCOPY,2024-11-03,2025-05-07,,,,,9KDF,7.0,3.3,experimental,10.1038/s41467-025-57960-x,Streptomyces venezuelae,Streptomyces venezuelae,RES-701-3,3.0,FK5,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,HSA,804.0310000000002
6554,9MEW,ELECTRON MICROSCOPY,2024-12-09,2025-07-23,,,,,9MEW,18.0,3.8,experimental,10.1016/j.celrep.2025.115971,Homo sapiens,Mammarenavirus juninense,Pre-glycoprotein polyprotein GP complex,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
6559,9PXU,ELECTRON MICROSCOPY,2025-08-06,2025-11-12,,,,,9PXU,2.0,3.4,experimental,10.1038/s41586-025-09677-6,Escherichia coli,synthetic construct,Nab-fab heavy chain,5.0,A1APV,Naloxone,C=CCN1CCC23c4c5ccc(c4OC2C(=O)CCC3(C1C5)O)O,HSA,327.38000000000005
6564,1CMK,X-RAY DIFFRACTION,1993-11-18,1994-05-31,,,,,1CMK,3.0,2.9,experimental,,,Homo sapiens,"cAMP-dependent protein kinase inhibitor, alpha form",2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
6566,1SQN,X-RAY DIFFRACTION,2004-03-19,2004-07-27,NDR,3.200000048,IC50,nM,1SQN,2.0,1.451,experimental,10.1021/jm030640n,Escherichia coli,Homo sapiens,progesterone receptor,1.0,NDR,"(14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one",CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34,HSA,298.42600000000004
6577,3EYG,X-RAY DIFFRACTION,2008-10-20,2009-02-03,MI1,1.419999957,IC50,nM,3EYG,1.0,1.9,experimental,10.1016/j.jmb.2009.01.041,Escherichia coli,Homo sapiens,Tyrosine-protein kinase,1.0,MI1,"3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile",CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N,HSA,312.3770000000001
6636,3FS1,X-RAY DIFFRACTION,2009-01-08,2009-10-27,,,,,3FS1,1.0,2.2,experimental,10.1074/jbc.M109.052506,Escherichia coli,Homo sapiens,Hepatocyte nuclear factor 4-alpha,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
6648,4X1F,X-RAY DIFFRACTION,2014-11-24,2015-09-09,,,,,4X1F,3.0,2,experimental,10.1038/ncomms9089,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,3WF,Ethinyl estradiol,CC12CCC3c4ccc(cc4CCC3C1CCC2(C#C)O)O,HSA,296.4099999999999
6650,4ZBK,X-RAY DIFFRACTION,2015-04-14,2015-06-03,,,,,4ZBK,12.0,2.18,experimental,10.1074/jbc.M115.659680,Pichia,Homo sapiens,Gamma-glutamyltranspeptidase 1,2.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
6655,5L2I,X-RAY DIFFRACTION,2016-08-01,2016-08-24,LQQ,15.0,IC50,nM,5L2I,1.0,2.75,experimental,10.1158/1535-7163.MCT-16-0300,Spodoptera frugiperda,Homo sapiens,Cyclin-dependent kinase 6,1.0,LQQ,"6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE",CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C,HSA,447.5430000000004
6670,5L2S,X-RAY DIFFRACTION,2016-08-02,2016-08-24,6ZV,7.800000191,IC50,nM,5L2S,1.0,2.27,experimental,10.1158/1535-7163.MCT-16-0300,Spodoptera frugiperda,Homo sapiens,Cyclin-dependent kinase 6,1.0,6ZV,"N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py
rimidin-2-amine",CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F,HSA,506.6050000000003
6684,5M5C,ELECTRON MICROSCOPY,2016-10-21,2017-10-04,,,,,5M5C,8.0,4.8,experimental,10.1038/nsmb.3483,,Bos taurus,Tubulin beta-2B chain,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
6688,6IN1,X-RAY DIFFRACTION,2018-10-24,2019-10-30,,,,,6IN1,3.0,1.5,experimental,,Escherichia coli,Homo sapiens,Bromodomain-containing protein 4,1.0,LOC,"N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide",CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,HSA,399.44300000000015
6689,6IN1,X-RAY DIFFRACTION,2018-10-24,2019-10-30,,,,,6IN1,3.0,1.5,experimental,,Escherichia coli,Homo sapiens,Bromodomain-containing protein 4,1.0,O4B,"1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE",C1COCCOCCOCCOCCOCCO1,HSA,264.3179999999999
6693,6QUY,ELECTRON MICROSCOPY,2019-02-28,2019-11-27,,,,,6QUY,8.0,3.8,experimental,10.1038/s41467-019-13247-6,,Homo sapiens,Tubulin beta chain,3.0,TA1,TAXOL,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C,HSA,853.9180000000003
6697,6QVE,ELECTRON MICROSCOPY,2019-03-01,2019-11-27,,,,,6QVE,8.0,3.7,experimental,10.1038/s41467-019-13247-6,,Homo sapiens,Beta1-tubulin,3.0,TA1,TAXOL,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C,HSA,853.9180000000003
6721,7SVR,ELECTRON MICROSCOPY,2021-11-19,2022-01-12,VX8,2570.0,EC50,nM,7SVR,1.0,3.9,experimental,10.1016/j.cell.2021.12.009,Homo sapiens,Homo sapiens,Cystic fibrosis transmembrane conductance regulator,1.0,VX8,Lumacaftor,Cc1ccc(nc1c2cccc(c2)C(=O)O)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F,HSA,452.41300000000024
6745,8UTV,ELECTRON MICROSCOPY,2023-10-31,2024-06-12,TA1,520.0,EC50,nM,8UTV,7.0,3,experimental,10.1038/s41467-024-48720-4,Escherichia coli,Homo sapiens,Kinesin-like protein KIF1A,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
6750,8UTY,ELECTRON MICROSCOPY,2023-10-31,2024-06-12,TA1,520.0,EC50,nM,8UTY,13.0,3.3,experimental,10.1038/s41467-024-48720-4,Escherichia coli,Homo sapiens,Kinesin-like protein KIF1A,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
6755,9BC6,ELECTRON MICROSCOPY,2024-04-07,2024-07-31,,,,,9BC6,12.0,2.5,experimental,10.1038/s41586-024-07743-z,Homo sapiens,Homo sapiens,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1,1.0,PCW,"1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,787.1369999999993
6756,9BC6,ELECTRON MICROSCOPY,2024-04-07,2024-07-31,,,,,9BC6,12.0,2.5,experimental,10.1038/s41586-024-07743-z,Homo sapiens,Homo sapiens,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1,1.0,PFL,"2,6-BIS(1-METHYLETHYL)PHENOL",CC(C)c1cccc(c1O)C(C)C,HSA,178.27499999999998
6758,1FDU,X-RAY DIFFRACTION,1998-01-14,1998-05-27,,,,,1FDU,12.0,2.7,experimental,10.1074/jbc.273.14.8145,Spodoptera frugiperda,Homo sapiens,17-BETA-HYDROXYSTEROID DEHYDROGENASE,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
6759,1FDU,X-RAY DIFFRACTION,1998-01-14,1998-05-27,,,,,1FDU,12.0,2.7,experimental,10.1074/jbc.273.14.8145,Spodoptera frugiperda,Homo sapiens,17-BETA-HYDROXYSTEROID DEHYDROGENASE,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
6760,3VKX,X-RAY DIFFRACTION,2011-11-26,2012-03-14,T3,3600.0,IC50,nM,3VKX,8.0,2.1,experimental,10.1074/jbc.M112.353201,Escherichia coli,Homo sapiens,Proliferating cell nuclear antigen,1.0,T3,"3,5,3'TRIIODOTHYRONINE",c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O,HSA,650.9760000000001
6769,4TNS,X-RAY DIFFRACTION,2014-06-04,2015-04-08,,,,,4TNS,1.0,1.33,experimental,,Escherichia coli,Homo sapiens,Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1,1.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
6770,4X1G,X-RAY DIFFRACTION,2014-11-24,2015-09-09,,,,,4X1G,4.0,2.25,experimental,10.1038/ncomms9089,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,3WF,Ethinyl estradiol,CC12CCC3c4ccc(cc4CCC3C1CCC2(C#C)O)O,HSA,296.4099999999999
6771,4X1G,X-RAY DIFFRACTION,2014-11-24,2015-09-09,,,,,4X1G,4.0,2.25,experimental,10.1038/ncomms9089,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,3WG,Trans-nonachlor,C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,HSA,444.22699999999986
6777,5L7K,X-RAY DIFFRACTION,2016-06-03,2016-08-10,,,,,5L7K,1.0,2.1,experimental,10.1074/jbc.M116.741827,,Homo sapiens,GLY-THR-ALA-SER-SER-LEU,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
6779,5M54,ELECTRON MICROSCOPY,2016-10-20,2017-10-04,,,,,5M54,8.0,8,experimental,10.1038/nsmb.3483,,Bos taurus,Tubulin beta-2B chain,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
6783,5TDM,X-RAY DIFFRACTION,2016-09-19,2017-08-09,,,,,5TDM,7.0,2.1,experimental,10.1107/S2059798317009871,Escherichia coli,Homo sapiens,ATP-citrate synthase,2.0,7A2,3-C-carboxy-2-deoxy-L-threo-pentaric acid,C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O,HSA,208.122
6788,6BBU,X-RAY DIFFRACTION,2017-10-19,2018-01-17,D7D,511.0,IC50,nM,6BBU,1.0,2.08,experimental,10.1021/acs.jmedchem.7b01598,Spodoptera frugiperda,Homo sapiens,Tyrosine-protein kinase JAK1,1.0,D7D,"N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide",CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2,HSA,323.42199999999997
6798,6UMW,X-RAY DIFFRACTION,2019-10-10,2020-10-14,,,,,6UMW,1.0,1.982,experimental,10.1073/pnas.2016265118,Escherichia coli,Homo sapiens,Ephrin type-B receptor 1,1.0,CTC,7-CHLOROTETRACYCLINE,CC1(c2c(ccc(c2C(=O)C3=C(C4(C(CC31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O,HSA,478.88500000000016
6799,7D10,ELECTRON MICROSCOPY,2020-09-12,2021-04-14,,,,,7D10,4.0,3.52,experimental,10.1038/s42003-021-01750-w,Homo sapiens,Homo sapiens,Solute carrier family 12 member 2,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
6800,8UTR,ELECTRON MICROSCOPY,2023-10-31,2024-06-12,TA1,520.0,EC50,nM,8UTR,5.0,3.3,experimental,10.1038/s41467-024-48720-4,,Sus scrofa,Tubulin beta-2B chain,3.0,ADP,ADENOSINE-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N,HSA,427.2030000000001
6805,8UTW,ELECTRON MICROSCOPY,2023-10-31,2024-06-12,TA1,520.0,EC50,nM,8UTW,4.0,3.4,experimental,10.1038/s41467-024-48720-4,,Sus scrofa,Tubulin beta-2B chain,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
6809,8Y58,X-RAY DIFFRACTION,2024-01-31,2024-10-09,,,,,8Y58,4.0,1.6,experimental,10.1016/j.cell.2024.10.015,Escherichia coli,Homo sapiens,E3 ubiquitin-protein ligase TRIM21,1.0,PMZ,1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE,CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C,HSA,326.4650000000001
6811,9C0E,ELECTRON MICROSCOPY,2024-05-25,2025-02-12,,,,,9C0E,12.0,2.7,experimental,10.1038/s44318-025-00368-6,Homo sapiens,Homo sapiens,Solute carrier family 12 member 2,1.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
6812,9C0E,ELECTRON MICROSCOPY,2024-05-25,2025-02-12,,,,,9C0E,12.0,2.7,experimental,10.1038/s44318-025-00368-6,Homo sapiens,Homo sapiens,Solute carrier family 12 member 2,1.0,FUN,5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID,c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl,HSA,330.749
6817,9IJU,X-RAY DIFFRACTION,2024-06-25,2025-03-12,,,,,9IJU,2.0,2.46,experimental,10.1021/acs.jmedchem.5c00032,Escherichia coli,Homo sapiens,Ubiquitin,2.0,SRE,"(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine",CNC1CCC(c2c1cccc2)c3ccc(c(c3)Cl)Cl,HSA,306.236
6833,2BAO,SOLUTION NMR,2005-10-14,2006-07-25,,,,,2BAO,1.0,,experimental,10.1016/j.febslet.2006.06.086,,,ADP-ribosylation factor 6,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
6835,2BAU,SOLUTION NMR,2005-10-14,2006-07-25,,,,,2BAU,1.0,,experimental,10.1016/j.febslet.2006.06.086,,,ADP-ribosylation factor 6,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
6838,2HCK,X-RAY DIFFRACTION,1997-02-25,1997-08-20,,,,,2HCK,4.0,3,experimental,10.1038/385602a0,Spodoptera frugiperda,Homo sapiens,HEMATOPOETIC CELL KINASE HCK,1.0,QUE,"3,5,7,3',4'-PENTAHYDROXYFLAVONE",c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,HSA,302.238
6855,2PL0,X-RAY DIFFRACTION,2007-04-18,2007-10-09,STI,40.0,Kd,nM,2PL0,1.0,2.8,experimental,10.1002/prot.21633,Spodoptera frugiperda,Homo sapiens,Proto-oncogene tyrosine-protein kinase LCK,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
6860,3U5K,X-RAY DIFFRACTION,2011-10-11,2011-11-23,,,,,3U5K,4.0,1.8,experimental,10.1016/j.bmc.2011.10.080,Escherichia coli,Homo sapiens,Bromodomain-containing protein 4,1.0,08J,"8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine",Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl,HSA,325.774
6866,4AQW,ELECTRON MICROSCOPY,2012-04-19,2012-11-21,TA1,520.0,EC50,nM,4AQW,4.0,9.5,experimental,10.1074/JBC.M112.404228,Escherichia coli BL21,Homo sapiens,KINESIN-LIKE PROTEIN KIF11,3.0,TA1,TAXOL,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C,HSA,853.9180000000003
6871,4CKI,X-RAY DIFFRACTION,2014-01-06,2014-03-05,,,,,4CKI,9.0,2.116,experimental,10.1016/j.molcel.2014.01.015,Spodoptera frugiperda,Homo sapiens,PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
6872,4CKJ,X-RAY DIFFRACTION,2014-01-06,2014-03-05,,,,,4CKJ,17.0,1.65,experimental,10.1016/j.molcel.2014.01.015,Spodoptera frugiperda,Homo sapiens,PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
6874,4LNW,X-RAY DIFFRACTION,2013-07-12,2014-03-19,T3,2.299999952,Ki,nM,4LNW,2.0,1.9,experimental,10.1210/me.2013-1359,Escherichia coli,Homo sapiens,Thyroid hormone receptor alpha,1.0,T3,"3,5,3'TRIIODOTHYRONINE",c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O,HSA,650.9760000000001
6905,5TOA,X-RAY DIFFRACTION,2016-10-17,2017-06-28,EST,3.200000048,Ki,nM,5TOA,2.0,2.5,experimental,10.1038/s41598-017-03774-x,Escherichia coli,Homo sapiens,Estrogen receptor beta,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
6999,6W9K,X-RAY DIFFRACTION,2020-03-23,2020-11-04,,,,,6W9K,2.0,1.6,experimental,10.1073/pnas.2006890117,,Homo sapiens,Peroxisome proliferator-activated receptor gamma coactivator 1-alpha,2.0,TUA,prednisolone,CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O,HSA,360.45000000000005
7001,7A79,X-RAY DIFFRACTION,2020-08-27,2020-10-21,,,,,7A79,2.0,2.05,experimental,10.3390/ijms21228457,,Homo sapiens,Nuclear receptor coactivator 2,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
7003,7KC4,ELECTRON MICROSCOPY,2020-10-05,2021-01-06,,,,,7KC4,5.0,3.19,experimental,10.1016/j.cell.2020.11.038,Homo sapiens,Homo sapiens,Protein wntless homolog,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
7006,7O7K,X-RAY DIFFRACTION,2021-04-13,2021-11-24,6ZV,10.0,Ki,nM,7O7K,29.0,1.82,experimental,10.1038/s41467-021-26935-z,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,Dual specificity tyrosine-phosphorylation-regulated kinase 1A,1.0,FLC,CITRATE ANION,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,HSA,189.099
7011,7QDT,X-RAY DIFFRACTION,2021-11-30,2022-01-26,T3,3.200000048,IC50,nM,7QDT,1.0,3,experimental,10.1128/MCB.00363-21,Escherichia coli,Homo sapiens,Isoform Alpha-1 of Thyroid hormone receptor alpha,1.0,T3,"3,5,3'TRIIODOTHYRONINE",c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O,HSA,650.9760000000001
7031,7SJ3,X-RAY DIFFRACTION,2021-10-15,2022-11-02,6ZV,2.0,IC50,nM,7SJ3,1.0,2.51,experimental,10.1038/s41523-022-00494-y,Spodoptera frugiperda,Homo sapiens,Cyclin-dependent kinase 4,1.0,6ZV,"N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py
rimidin-2-amine",CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F,HSA,506.6050000000003
7058,8.00E+90,X-RAY DIFFRACTION,2022-08-26,2022-12-14,,,,,8.00E+90,7.0,1.85,experimental,10.1038/s41586-023-05755-9,Escherichia coli BL21(DE3),Homo sapiens,Isoform 2 of Menin,1.0,OQ4,"2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide",CCN(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)CC)F,HSA,630.8310000000006
7060,8.00E+90,X-RAY DIFFRACTION,2022-08-26,2022-12-14,,,,,8.00E+90,7.0,1.85,experimental,10.1038/s41586-023-05755-9,Escherichia coli BL21(DE3),Homo sapiens,Isoform 2 of Menin,1.0,MES,2-(N-MORPHOLINO)-ETHANESULFONIC ACID,C1COCC[NH+]1CCS(=O)(=O)[O-],HSA,195.23999999999998
7061,9ITE,ELECTRON MICROSCOPY,2024-07-19,2025-01-15,,,,,9ITE,5.0,3.06,experimental,10.1073/pnas.2415426122,Spodoptera frugiperda,Homo sapiens,engineered miniGa13,1.0,NKP,(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate,CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O,HSA,436.52600000000007
7069,9SS9,X-RAY DIFFRACTION,2025-09-25,2026-02-18,,,,,9SS9,22.0,2.5,experimental,10.1111/febs.70428,Cricetulus griseus,Homo sapiens,"Angiotensin-converting enzyme, soluble form",1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
7070,9SS9,X-RAY DIFFRACTION,2025-09-25,2026-02-18,,,,,9SS9,22.0,2.5,experimental,10.1111/febs.70428,Cricetulus griseus,Homo sapiens,"Angiotensin-converting enzyme, soluble form",1.0,BCN,BICINE,C(CO)N(CCO)CC(=O)O,HSA,163.173
7071,9SS9,X-RAY DIFFRACTION,2025-09-25,2026-02-18,,,,,9SS9,22.0,2.5,experimental,10.1111/febs.70428,Cricetulus griseus,Homo sapiens,"Angiotensin-converting enzyme, soluble form",1.0,X8Z,L-CAPTOPRIL,CC(CS)C(=O)N1CCCC1C(=O)O,HSA,217.28999999999996
7072,9SS9,X-RAY DIFFRACTION,2025-09-25,2026-02-18,,,,,9SS9,22.0,2.5,experimental,10.1111/febs.70428,Cricetulus griseus,Homo sapiens,"Angiotensin-converting enzyme, soluble form",1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
7074,9SS9,X-RAY DIFFRACTION,2025-09-25,2026-02-18,,,,,9SS9,22.0,2.5,experimental,10.1111/febs.70428,Cricetulus griseus,Homo sapiens,"Angiotensin-converting enzyme, soluble form",1.0,MCO,1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID,CC(CS)C(=O)N1CCCC1C(=O)O,HSA,217.28999999999996
7075,9SS9,X-RAY DIFFRACTION,2025-09-25,2026-02-18,,,,,9SS9,22.0,2.5,experimental,10.1111/febs.70428,Cricetulus griseus,Homo sapiens,"Angiotensin-converting enzyme, soluble form",1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
7076,1RLB,X-RAY DIFFRACTION,1995-02-20,1996-04-11,,,,,1RLB,2.0,3.1,experimental,,,Gallus gallus,RETINOL BINDING PROTEIN,2.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
7078,2H77,X-RAY DIFFRACTION,2006-06-01,2006-07-25,T3,2.299999952,Ki,nM,2H77,1.0,2.33,experimental,10.1016/j.jmb.2006.05.008,Escherichia coli BL21(DE3),Homo sapiens,THRA protein,1.0,T3,"3,5,3'TRIIODOTHYRONINE",c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O,HSA,650.9760000000001
7098,3LXN,X-RAY DIFFRACTION,2010-02-25,2010-06-02,MI1,112.0,IC50,nM,3LXN,1.0,2.5,experimental,10.1016/j.jmb.2010.05.020,Spodoptera frugiperda,Homo sapiens,Non-receptor tyrosine-protein kinase TYK2,1.0,MI1,"3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile",CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N,HSA,312.3770000000001
7141,4CK5,ELECTRON MICROSCOPY,2013-12-30,2014-02-05,TA1,520.0,EC50,nM,4CK5,5.0,10,experimental,10.1073/PNAS.1319848111,Escherichia coli BL21,Homo sapiens,KINESIN-LIKE PROTEIN KIF11,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
7146,4IB4,X-RAY DIFFRACTION,2012-12-07,2013-03-13,,,,,4IB4,11.0,2.7,experimental,10.1126/science.1232808,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,ERM,Ergotamine,CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)Cc4ccccc4)NC(=O)C5CN(C6Cc7c[nH]c8c7c(ccc8)C6=C5)C,HSA,581.6730000000001
7147,4IB4,X-RAY DIFFRACTION,2012-12-07,2013-03-13,,,,,4IB4,11.0,2.7,experimental,10.1126/science.1232808,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
7148,4IB4,X-RAY DIFFRACTION,2012-12-07,2013-03-13,,,,,4IB4,11.0,2.7,experimental,10.1126/science.1232808,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
7149,4IB4,X-RAY DIFFRACTION,2012-12-07,2013-03-13,,,,,4IB4,11.0,2.7,experimental,10.1126/science.1232808,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,OLC,"(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O,HSA,356.547
7150,4IB4,X-RAY DIFFRACTION,2012-12-07,2013-03-13,,,,,4IB4,11.0,2.7,experimental,10.1126/science.1232808,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,OLB,"(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O,HSA,356.547
7151,4IB4,X-RAY DIFFRACTION,2012-12-07,2013-03-13,,,,,4IB4,11.0,2.7,experimental,10.1126/science.1232808,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
7153,4J26,X-RAY DIFFRACTION,2013-02-04,2013-03-13,EST,4.099999905,Kd,nM,4J26,2.0,2.3,experimental,10.1021/ja311748r,,,12-mer Peptide,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
7247,4ODR,X-RAY DIFFRACTION,2014-01-10,2015-01-14,,,,,4ODR,16.0,1.929,experimental,10.1186/s12915-016-0300-3,Escherichia coli,"Thermus thermophilus, Homo sapiens","Peptidyl-prolyl cis-trans isomerase SlyD, Peptidyl-prolyl cis-trans isomerase FKBP1A chimera",1.0,FK5,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,HSA,804.0310000000002
7257,5TDZ,X-RAY DIFFRACTION,2016-09-20,2017-08-09,,,,,5TDZ,10.0,2,experimental,10.1107/S2059798317009871,Escherichia coli,Homo sapiens,ATP-citrate synthase,2.0,TLA,L(+)-TARTARIC ACID,C(C(C(=O)O)O)(C(=O)O)O,HSA,150.08599999999998
7265,6DWN,X-RAY DIFFRACTION,2018-06-26,2018-10-03,,,,,6DWN,10.0,3,experimental,10.1074/jbc.RA118.005588,Escherichia coli,Homo sapiens,Cytochrome P450 1A1,1.0,HEM,PROTOPORPHYRIN IX CONTAINING FE,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,HSA,616.4990000000001
7266,6DWN,X-RAY DIFFRACTION,2018-06-26,2018-10-03,,,,,6DWN,10.0,3,experimental,10.1074/jbc.RA118.005588,Escherichia coli,Homo sapiens,Cytochrome P450 1A1,1.0,AQ4,"[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE",COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C,HSA,393.44300000000004
7267,6DWN,X-RAY DIFFRACTION,2018-06-26,2018-10-03,,,,,6DWN,10.0,3,experimental,10.1074/jbc.RA118.005588,Escherichia coli,Homo sapiens,Cytochrome P450 1A1,1.0,CPS,3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE,CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C,HSA,614.8900000000004
7280,6QUS,ELECTRON MICROSCOPY,2019-02-28,2019-11-27,,,,,6QUS,8.0,3.7,experimental,10.1038/s41467-019-13247-6,,Homo sapiens,Tubulin beta chain,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
7284,6QVJ,ELECTRON MICROSCOPY,2019-03-02,2019-11-27,,,,,6QVJ,8.0,3.8,experimental,10.1038/s41467-019-13247-6,,Homo sapiens,Tubulin beta chain,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
7288,7AXL,X-RAY DIFFRACTION,2020-11-09,2021-01-13,,,,,7AXL,3.0,2.5,experimental,10.1073/pnas.2020551118,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
7289,7AXL,X-RAY DIFFRACTION,2020-11-09,2021-01-13,,,,,7AXL,3.0,2.5,experimental,10.1073/pnas.2020551118,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,S65,heptachlor endo-epoxide,C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl,HSA,389.31999999999994
7372,7KJX,ELECTRON MICROSCOPY,2020-10-26,2021-03-17,,,,,7KJX,2.0,3.1,experimental,10.1038/s41467-021-22628-9,Escherichia coli,Human immunodeficiency virus type 1 BH10,Reverse transcriptase/ribonuclease H,1.0,NVP,"11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE",Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4,HSA,266.30400000000003
7377,8SE4,X-RAY DIFFRACTION,2023-04-07,2025-08-20,,,,,8SE4,9.0,2.68,experimental,,Homo sapiens,Homo sapiens,Protein kinase C beta type,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
7381,9HCR,X-RAY DIFFRACTION,2024-11-11,2025-11-19,,,,,9HCR,6.0,1.931,experimental,10.1038/s41598-025-23858-3,Escherichia coli,Homo sapiens,Telomeric repeat-binding factor 1,1.0,W1P,"5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",CC1=NN(C(=O)C1)c2ccccc2,HSA,174.203
7387,9QAM,X-RAY DIFFRACTION,2025-02-28,2025-11-12,,,,,9QAM,11.0,1.85,experimental,10.1021/acsbiomedchemau.5c00089,Cricetulus griseus,Homo sapiens,"Angiotensin-converting enzyme, soluble form",1.0,CPF,"1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID",c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4,HSA,331.3470000000001
7390,1G5Y,X-RAY DIFFRACTION,2000-11-02,2001-05-02,REA,50000.0,IC50,nM,1G5Y,2.0,2,experimental,10.1101/gad.802300,Escherichia coli,Homo sapiens,RETINOIC ACID RECEPTOR RXR-ALPHA,1.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
7393,1QAB,X-RAY DIFFRACTION,1999-02-03,1999-02-16,,,,,1QAB,2.0,3.2,experimental,10.1021/bi982291i,,Homo sapiens,PROTEIN (retinol binding protein),2.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
7395,2H79,X-RAY DIFFRACTION,2006-06-01,2006-07-25,T3,0.05999999866,Kd,nM,2H79,1.0,1.87,experimental,10.1016/j.jmb.2006.05.008,Escherichia coli,Homo sapiens,THRA protein,1.0,T3,"3,5,3'TRIIODOTHYRONINE",c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O,HSA,650.9760000000001
7415,2LBD,X-RAY DIFFRACTION,1997-08-19,1997-11-12,REA,1000.0,IC50,nM,2LBD,1.0,2.06,experimental,10.1038/378681a0,Escherichia coli BL21(DE3),Homo sapiens,RETINOIC ACID RECEPTOR GAMMA,1.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
7417,2W8Y,X-RAY DIFFRACTION,2009-01-20,2009-04-28,486,0.04500000179,IC50,nM,2W8Y,4.0,1.8,experimental,10.1074/JBC.M109.007872,Escherichia coli,Homo sapiens,PROGESTERONE RECEPTOR,1.0,486,"11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE",CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)c5ccc(cc5)N(C)C)C)O,HSA,429.60400000000016
7455,3U5J,X-RAY DIFFRACTION,2011-10-11,2011-11-23,08H,2460.0,Kd,nM,3U5J,5.0,1.6,experimental,10.1016/j.bmc.2011.10.080,Escherichia coli,Homo sapiens,Bromodomain-containing protein 4,1.0,08H,"8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl,HSA,308.77199999999993
7463,4CK7,ELECTRON MICROSCOPY,2013-12-30,2014-02-05,TA1,520.0,EC50,nM,4CK7,7.0,9.2,experimental,10.1073/PNAS.1319848111,Escherichia coli BL21,Homo sapiens,KINESIN-LIKE PROTEIN KIF11,3.0,ADP,ADENOSINE-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N,HSA,427.2030000000001
7469,4J24,X-RAY DIFFRACTION,2013-02-04,2013-03-13,EST,0.03999999911,EC50,nM,4J24,4.0,2.1,experimental,10.1021/ja311748r,,,19-mer peptide,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
7568,5OGC,ELECTRON MICROSCOPY,2017-07-12,2017-10-25,9V5,1700.0,IC50,nM,5OGC,6.0,4.8,experimental,10.1073/pnas.1712169114,,Sus scrofa,Tubulin beta chain,3.0,TA1,TAXOL,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C,HSA,853.9180000000003
7575,6FEK,X-RAY DIFFRACTION,2018-01-02,2018-02-28,,,,,6FEK,4.0,2.3,experimental,10.1038/s41467-018-02994-7,Spodoptera frugiperda,Homo sapiens,Proto-oncogene tyrosine-protein kinase receptor Ret,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
7578,7LWD,ELECTRON MICROSCOPY,2021-03-01,2021-08-11,IXX,29.0,Ki,nM,7LWD,3.0,3.65,experimental,10.1038/s41467-021-25363-3,Homo sapiens,Homo sapiens,Sodium-dependent serotonin transporter,1.0,IXX,"3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE",CN(C)CCCN1c2ccccc2CCc3c1cccc3,HSA,280.41499999999996
7623,7SFL,ELECTRON MICROSCOPY,2021-10-04,2022-09-28,,,,,7SFL,2.0,3.87,experimental,10.1126/sciadv.abq0952,Homo sapiens,Homo sapiens,Solute carrier family 12 member 2,1.0,FUN,5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID,c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl,HSA,330.749
7625,7UJ4,X-RAY DIFFRACTION,2022-03-30,2022-12-14,,,,,7UJ4,6.0,1.96,experimental,10.1038/s41586-023-05755-9,Escherichia coli BL21(DE3),Homo sapiens,Isoform 2 of Menin,1.0,OQ4,"2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide",CCN(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)CC)F,HSA,630.8310000000006
7626,8YRG,ELECTRON MICROSCOPY,2024-03-21,2024-05-22,,,,,8YRG,1.0,3.14,experimental,10.1126/scitranslmed.adk8198,Spodoptera frugiperda,Homo sapiens,Gs-mini-Gq chimera,1.0,A1LZU,"[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate",CC(C)c1cccc(c1OCOP(=O)(O)O)C(C)C,HSA,288.28
7631,9HDF,X-RAY DIFFRACTION,2024-11-12,2025-11-12,,,,,9HDF,91.0,2.78,experimental,10.1093/nar/gkaf1003,,Homo sapiens,Nuclear receptor subfamily 0 group B member 2,3.0,DEX,DEXAMETHASONE,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,HSA,392.4670000000001
7641,9HQ4,ELECTRON MICROSCOPY,2024-12-16,2025-09-17,,,,,9HQ4,10.0,3.28,experimental,10.1126/sciadv.adw1561,Homo sapiens,"Pseudomonas pavonaceae, Homo sapiens",Tubulin polyglutamylase TTLL11,3.0,G2P,PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER,c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N,HSA,521.209
7644,9ITB,ELECTRON MICROSCOPY,2024-07-19,2025-01-15,,,,,9ITB,5.0,2.89,experimental,10.1073/pnas.2415426122,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
7664,3L5N,X-RAY DIFFRACTION,2009-12-22,2010-08-04,,,,,3L5N,4.0,7.536,experimental,10.1016/j.jmb.2010.07.029,Escherichia coli,Staphylococcus aureus subsp. aureus Mu50,Staphylococcal complement inhibitor,3.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
7667,3EX7,X-RAY DIFFRACTION,2008-10-16,2008-12-09,,,,,3EX7,6.0,2.301,experimental,10.1261/rna.1283109,,,RNA (5'-R(*UP*UP*UP*UP*UP*U)-3'),5.0,ADP,ADENOSINE-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N,HSA,427.2030000000001
7673,2KUH,SOLUTION NMR,2010-02-17,2010-03-09,,,,,2KUH,3.0,,experimental,,Escherichia coli,Homo sapiens,Calmodulin,1.0,HLT,"2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE",C(C(F)(F)F)(Cl)Br,HSA,197.381
7675,3V99,X-RAY DIFFRACTION,2011-12-23,2012-05-02,,,,,3V99,3.0,2.252,experimental,10.1096/fj.12-205286,Escherichia coli,Homo sapiens,Arachidonate 5-lipoxygenase,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
7676,4O0S,X-RAY DIFFRACTION,2013-12-14,2014-12-17,,,,,4O0S,1.0,2.5,experimental,,Escherichia coli,Homo sapiens,Aurora kinase A,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
7677,4O0W,X-RAY DIFFRACTION,2013-12-14,2014-12-17,,,,,4O0W,1.0,2.6,experimental,,Escherichia coli,Homo sapiens,Aurora kinase A,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
7686,5MIO,X-RAY DIFFRACTION,2016-11-28,2017-07-19,LOC,2620.0,IC50,nM,5MIO,6.0,3.19,experimental,10.1038/s41467-017-00091-9,Escherichia coli,Homo sapiens,"Kinesin-like protein KIF2C,KIF2C FUSED TO A DARPIN,KIF2C FUSED TO A DARPIN",3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
7696,6G0G,X-RAY DIFFRACTION,2018-03-18,2020-01-08,,,,,6G0G,4.0,1.478,experimental,10.26434/chemrxiv.11472618,Escherichia coli BL21(DE3),Homo sapiens,Bromodomain-containing protein 4,1.0,SAS,2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3ccc(c(c3)C(=O)O)O,HSA,398.40000000000015
7700,7AXJ,X-RAY DIFFRACTION,2020-11-09,2021-01-13,CL6,2700.0,EC50,nM,7AXJ,2.0,2.3,experimental,10.1073/pnas.2020551118,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,CL6,1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE,c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4,HSA,344.845
7701,7AXJ,X-RAY DIFFRACTION,2020-11-09,2021-01-13,CL6,2700.0,EC50,nM,7AXJ,2.0,2.3,experimental,10.1073/pnas.2020551118,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
7708,8VA5,X-RAY DIFFRACTION,2023-12-11,2024-11-20,,,,,8VA5,7.0,1.3,experimental,10.1016/S1470-2045(24)00386-3,Escherichia coli,Homo sapiens,Menin,1.0,K5O,Ziftomenib,Cc1c(ccc2c1cc(n2CC(C)N3CCN(CC3)S(=O)(=O)C)C#N)CN4CCC(CC4)Nc5c6cc(sc6nc(n5)NC)CC(F)(F)F,HSA,717.8880000000001
7710,8VA5,X-RAY DIFFRACTION,2023-12-11,2024-11-20,,,,,8VA5,7.0,1.3,experimental,10.1016/S1470-2045(24)00386-3,Escherichia coli,Homo sapiens,Menin,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
7713,9CTF,ELECTRON MICROSCOPY,2024-07-25,2025-01-22,,,,,9CTF,24.0,3.9,experimental,10.1038/s44318-025-00361-z,Homo sapiens,Homo sapiens,ATP-dependent translocase ABCB1,1.0,UPL,UNKNOWN BRANCHED FRAGMENT OF PHOSPHOLIPID,CCCCCCCCCCCCCC(CCCCCCCCC)CCCCCCCCCCC,HSA,478.93400000000054
7714,9CTF,ELECTRON MICROSCOPY,2024-07-25,2025-01-22,,,,,9CTF,24.0,3.9,experimental,10.1038/s44318-025-00361-z,Homo sapiens,Homo sapiens,ATP-dependent translocase ABCB1,1.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
7715,9CTF,ELECTRON MICROSCOPY,2024-07-25,2025-01-22,,,,,9CTF,24.0,3.9,experimental,10.1038/s44318-025-00361-z,Homo sapiens,Homo sapiens,ATP-dependent translocase ABCB1,1.0,TA1,TAXOL,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C,HSA,853.9180000000003
7716,9D5E,X-RAY DIFFRACTION,2024-08-13,2025-10-29,,,,,9D5E,3.0,1.5,experimental,,Escherichia coli,Homo sapiens,Alpha-parvin,2.0,IRE,Gefitinib,COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F,HSA,446.91
7718,9ZCZ,ELECTRON MICROSCOPY,2025-11-24,2026-02-25,,,,,9ZCZ,8.0,2.3,experimental,,,Homo sapiens,Aquaporin-1,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
7719,9ZCZ,ELECTRON MICROSCOPY,2025-11-24,2026-02-25,,,,,9ZCZ,8.0,2.3,experimental,,,Homo sapiens,Aquaporin-1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
7720,1MUO,X-RAY DIFFRACTION,2002-09-24,2003-04-15,,,,,1MUO,1.0,2.9,experimental,10.1074/jbc.C200426200,,Homo sapiens,Aurora-related kinase 1,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
7721,2J3T,X-RAY DIFFRACTION,2006-08-23,2006-11-22,,,,,2J3T,1.0,2.4,experimental,10.1016/J.CELL.2006.09.029,Escherichia coli BL21(DE3),Mus musculus,TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
7725,4O0U,X-RAY DIFFRACTION,2013-12-14,2014-12-17,,,,,4O0U,1.0,2.6,experimental,,Escherichia coli,Homo sapiens,Aurora kinase A,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
7731,4UXP,ELECTRON MICROSCOPY,2014-08-27,2014-09-24,TA1,520.0,EC50,nM,4UXP,7.0,6.3,experimental,10.7554/ELIFE.03680,Escherichia coli,Homo sapiens,KINESIN-3 MOTOR DOMAIN,3.0,TA1,TAXOL,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C,HSA,853.9180000000003
7737,6BSH,X-RAY DIFFRACTION,2017-12-03,2018-01-03,EFZ,50.0,IC50,nM,6BSH,10.0,2.649,experimental,10.1073/pnas.1719746115,,Homo sapiens,RNA (25-MER),4.0,EFZ,"(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE",c1cc2c(cc1Cl)C(OC(=O)N2)(C#CC3CC3)C(F)(F)F,HSA,315.67799999999994
7817,7TJ8,ELECTRON MICROSCOPY,2022-01-14,2022-03-30,,,,,7TJ8,18.0,3.2,experimental,10.1038/s41467-022-28984-4,Homo sapiens,Homo sapiens,Sodium channel subunit beta-3,2.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
7824,8K9R,ELECTRON MICROSCOPY,2023-08-01,2023-12-20,,,,,8K9R,8.0,2.68,experimental,10.1038/s41467-023-44568-2,Homo sapiens,"synthetic construct, Homo sapiens","Green fluorescent protein,Complement decay-accelerating factor",2.0,80Y,"2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate",C(COP(=O)(O)OCC1C(C(C(C(O1)O)O)O)O)N,HSA,303.204
7831,8TH4,ELECTRON MICROSCOPY,2023-07-13,2024-05-22,,,,,8TH4,1.0,3.3,experimental,10.1038/s41589-024-01620-6,Escherichia coli BL21(DE3),synthetic construct,AT118-L Nanobody,4.0,LSN,"[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol",CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,HSA,422.9200000000001
7835,9N9F,ELECTRON MICROSCOPY,2025-02-10,2026-02-04,,,,,9N9F,9.0,2.91,experimental,,Homo sapiens,Homo sapiens,Inner centromere protein,3.0,TA1,TAXOL,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C,HSA,853.9180000000003
7855,2KUG,SOLUTION NMR,2010-02-17,2010-03-09,,,,,2KUG,3.0,,experimental,,Escherichia coli,Homo sapiens,Calmodulin-1,1.0,HLT,"2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE",C(C(F)(F)F)(Cl)Br,HSA,197.381
7858,4A9K,X-RAY DIFFRACTION,2011-11-26,2012-01-11,,,,,4A9K,6.0,1.81,experimental,10.1021/JM201320W,Escherichia coli,Homo sapiens,CREB-BINDING PROTEIN,1.0,TYL,N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL),CC(=O)Nc1ccc(cc1)O,HSA,151.165
7861,4NC3,X-RAY DIFFRACTION,2013-10-23,2013-12-18,,,,,4NC3,14.0,2.8,experimental,10.1126/science.1244142,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
7862,4NC3,X-RAY DIFFRACTION,2013-10-23,2013-12-18,,,,,4NC3,14.0,2.8,experimental,10.1126/science.1244142,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,ERM,Ergotamine,CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)Cc4ccccc4)NC(=O)C5CN(C6Cc7c[nH]c8c7c(ccc8)C6=C5)C,HSA,581.6730000000001
7863,4NC3,X-RAY DIFFRACTION,2013-10-23,2013-12-18,,,,,4NC3,14.0,2.8,experimental,10.1126/science.1244142,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
7864,4NC3,X-RAY DIFFRACTION,2013-10-23,2013-12-18,,,,,4NC3,14.0,2.8,experimental,10.1126/science.1244142,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,OLC,"(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O,HSA,356.547
7867,4NC3,X-RAY DIFFRACTION,2013-10-23,2013-12-18,,,,,4NC3,14.0,2.8,experimental,10.1126/science.1244142,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
7868,4NC3,X-RAY DIFFRACTION,2013-10-23,2013-12-18,,,,,4NC3,14.0,2.8,experimental,10.1126/science.1244142,Spodoptera frugiperda,"Homo sapiens, Escherichia coli",Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562,1.0,DGA,DIACYL GLYCEROL,CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC,HSA,625.032
7882,6BSG,X-RAY DIFFRACTION,2017-12-03,2018-01-03,EFZ,35.0,IC50,nM,6BSG,8.0,2.44,experimental,10.1073/pnas.1719746115,,Homo sapiens,RNA (25-MER),4.0,EFZ,"(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE",c1cc2c(cc1Cl)C(OC(=O)N2)(C#CC3CC3)C(F)(F)F,HSA,315.67799999999994
8042,6BSJ,X-RAY DIFFRACTION,2017-12-03,2018-01-03,EFZ,47.0,IC50,nM,6BSJ,7.0,2.89,experimental,10.1073/pnas.1719746115,Escherichia coli,Human immunodeficiency virus 1,REVERSE TRANSCRIPTASE P66 SUBUNIT,1.0,TAM,TRIS(HYDROXYETHYL)AMINOMETHANE,C(CO)C(CCO)(CCO)N,HSA,163.21699999999998
8122,6NEC,X-RAY DIFFRACTION,2018-12-17,2019-06-05,XIN,9.800000191,Kd,nM,6NEC,4.0,1.87,experimental,10.1074/jbc.RA119.007682,Spodoptera frugiperda,Homo sapiens,Proto-oncogene tyrosine-protein kinase receptor Ret,1.0,XIN,"methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate",CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5,HSA,539.6360000000003
8126,7AXI,X-RAY DIFFRACTION,2020-11-09,2021-01-13,,,,,7AXI,5.0,2.15,experimental,10.1073/pnas.2020551118,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
8128,7AXI,X-RAY DIFFRACTION,2020-11-09,2021-01-13,,,,,7AXI,5.0,2.15,experimental,10.1073/pnas.2020551118,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,S6E,(-)cis-chlordane,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,HSA,409.7819999999999
8129,7AXI,X-RAY DIFFRACTION,2020-11-09,2021-01-13,,,,,7AXI,5.0,2.15,experimental,10.1073/pnas.2020551118,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,S6H,(+)cis-chlordane,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,HSA,409.7819999999999
8131,7AXK,X-RAY DIFFRACTION,2020-11-09,2021-01-13,,,,,7AXK,4.0,2,experimental,10.1073/pnas.2020551118,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
8133,7AXK,X-RAY DIFFRACTION,2020-11-09,2021-01-13,,,,,7AXK,4.0,2,experimental,10.1073/pnas.2020551118,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor subfamily 1 group I member 2,1.0,S68,endosulfan,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,HSA,406.92899999999986
8135,8K9T,ELECTRON MICROSCOPY,2023-08-01,2023-12-20,,,,,8K9T,9.0,2.66,experimental,10.1038/s41467-023-44568-2,Homo sapiens,"synthetic construct, Homo sapiens","Green fluorescent protein,Complement decay-accelerating factor",2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
8142,8VA6,X-RAY DIFFRACTION,2023-12-11,2024-11-20,,,,,8VA6,11.0,1.57,experimental,10.1016/S1470-2045(24)00386-3,Escherichia coli,Homo sapiens,Menin,1.0,K5O,Ziftomenib,Cc1c(ccc2c1cc(n2CC(C)N3CCN(CC3)S(=O)(=O)C)C#N)CN4CCC(CC4)Nc5c6cc(sc6nc(n5)NC)CC(F)(F)F,HSA,717.8880000000001
8146,8VA6,X-RAY DIFFRACTION,2023-12-11,2024-11-20,,,,,8VA6,11.0,1.57,experimental,10.1016/S1470-2045(24)00386-3,Escherichia coli,Homo sapiens,Menin,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
8148,9D5H,X-RAY DIFFRACTION,2024-08-13,2025-10-29,,,,,9D5H,2.0,1.5,experimental,,Escherichia coli,Homo sapiens,Alpha-parvin,2.0,IRE,Gefitinib,COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F,HSA,446.91
8150,9D5P,X-RAY DIFFRACTION,2024-08-14,2025-10-29,,,,,9D5P,2.0,1.5,experimental,,Escherichia coli,Homo sapiens,Alpha-parvin,2.0,AQ4,"[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE",COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C,HSA,393.44300000000004
8152,9D8Q,X-RAY DIFFRACTION,2024-08-20,2025-10-22,,,,,9D8Q,1.0,2.751,experimental,,,Homo sapiens,Nuclear receptor coactivator 2,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
8154,9DI0,ELECTRON MICROSCOPY,2024-09-04,2025-07-16,,,,,9DI0,6.0,3.1,experimental,10.1038/s41467-024-53691-7,,Sus scrofa,Tubulin alpha-1B chain,3.0,ADP,ADENOSINE-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N,HSA,427.2030000000001
8159,9EAI,ELECTRON MICROSCOPY,2024-11-11,2025-03-05,,,,,9EAI,4.0,3.1,experimental,10.1073/pnas.2423931122,Homo sapiens,"Camelidae, Homo sapiens, Escherichia coli","Nanobody AT206,Type-1 angiotensin II receptor,Soluble cytochrome b562",1.0,LSN,"[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol",CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,HSA,422.9200000000001
8162,9BDT,ELECTRON MICROSCOPY,2024-04-12,2024-12-25,,,,,9BDT,11.0,5.4,experimental,10.1038/s41586-024-08223-0,Escherichia coli,Camelus bactrianus,ApoB100 nanobody 4,6.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
8178,9COO,ELECTRON MICROSCOPY,2024-07-17,2024-12-25,,,,,9COO,6.0,3.73,experimental,10.1038/s41586-024-08223-0,Homo sapiens,Homo sapiens,Low-density lipoprotein receptor,6.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
8186,3R43,X-RAY DIFFRACTION,2011-03-17,2012-03-28,ID8,560.0,IC50,nM,3R43,6.0,2,experimental,10.1371/journal.pone.0043965,Escherichia coli BL21(DE3),Homo sapiens,Aldo-keto reductase family 1 member C3,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
8192,3R8H,X-RAY DIFFRACTION,2011-03-24,2012-05-02,,,,,3R8H,4.0,1.9,experimental,10.1371/journal.pone.0043965,Escherichia coli BL21(DE3),Homo sapiens,Aldo-keto reductase family 1 member C3,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
8194,3R8H,X-RAY DIFFRACTION,2011-03-24,2012-05-02,,,,,3R8H,4.0,1.9,experimental,10.1371/journal.pone.0043965,Escherichia coli BL21(DE3),Homo sapiens,Aldo-keto reductase family 1 member C3,1.0,ZOM,"[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid",Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O,HSA,291.73400000000004
8195,4R7H,X-RAY DIFFRACTION,2014-08-27,2015-08-12,P31,9.699999809,IC50,nM,4R7H,1.0,2.8001,experimental,10.1056/NEJMoa1411366,Spodoptera frugiperda,Homo sapiens,Macrophage colony-stimulating factor 1 receptor,1.0,P31,"5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine",c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F,HSA,417.82200000000006
8211,5G2N,X-RAY DIFFRACTION,2016-04-11,2016-04-20,6.00E+02,0.6999999881,IC50,nM,5G2N,2.0,2.68,experimental,10.1002/CMDC.201600148,Spodoptera frugiperda,Homo sapiens,"PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM",1.0,6.00E+02,"2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide",COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5,HSA,480.5290000000004
8214,5IKR,X-RAY DIFFRACTION,2016-03-03,2016-05-25,ID8,160.0,Ki,nM,5IKR,15.0,2.342,experimental,10.1074/jbc.M116.725713,Spodoptera frugiperda,Homo sapiens,Prostaglandin G/H synthase 2,1.0,ID8,"2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID",Cc1cccc(c1C)Nc2ccccc2C(=O)O,HSA,241.29000000000002
8223,6AWQ,X-RAY DIFFRACTION,2017-09-06,2017-10-25,SRE,0.8999999762,Ki,nM,6AWQ,7.0,4.046,experimental,10.1038/s41594-018-0026-8,Spodoptera frugiperda,Mus musculus,8B6 antibody FAB light chain,3.0,SRE,"(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine",CNC1CCC(c2c1cccc2)c3ccc(c(c3)Cl)Cl,HSA,306.236
8232,4YVV,X-RAY DIFFRACTION,2015-03-20,2015-11-25,,,,,4YVV,4.0,2.3,experimental,10.1016/j.cbi.2015.09.006,Escherichia coli,Homo sapiens,Aldo-keto reductase family 1 member C3,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
8233,4YVV,X-RAY DIFFRACTION,2015-03-20,2015-11-25,,,,,4YVV,4.0,2.3,experimental,10.1016/j.cbi.2015.09.006,Escherichia coli,Homo sapiens,Aldo-keto reductase family 1 member C3,1.0,GBM,5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide,COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl,HSA,494.01300000000026
8234,4ZFC,X-RAY DIFFRACTION,2015-04-21,2015-11-25,GCZ,19620.0,IC50,nM,4ZFC,4.0,2,experimental,10.1016/j.cbi.2015.09.006,Escherichia coli,Homo sapiens,Aldo-keto reductase family 1 member C3,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
8237,6AWO,X-RAY DIFFRACTION,2017-09-06,2017-10-25,SRE,0.8999999762,Ki,nM,6AWO,7.0,3.534,experimental,10.1038/s41594-018-0026-8,Homo sapiens,Homo sapiens,Sodium-dependent serotonin transporter,1.0,SRE,"(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine",CNC1CCC(c2c1cccc2)c3ccc(c(c3)Cl)Cl,HSA,306.236
8246,7YG5,ELECTRON MICROSCOPY,2022-07-11,2023-11-29,,,,,7YG5,28.0,3,experimental,10.1016/j.bbrc.2024.150271,Homo sapiens,Homo sapiens,Voltage-dependent R-type calcium channel subunit alpha-1E,1.0,Y01,CHOLESTEROL HEMISUCCINATE,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C,HSA,486.73700000000036
8252,9KGL,ELECTRON MICROSCOPY,2024-11-08,2025-11-12,,,,,9KGL,12.0,2.88,experimental,,Homo sapiens,Homo sapiens,ATP-sensitive inward rectifier potassium channel 11,1.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
8257,1S2A,X-RAY DIFFRACTION,2004-01-08,2004-03-23,IMN,130000.0,IC50,nM,1S2A,4.0,1.7,experimental,10.1158/0008-5472.CAN-03-2847,Escherichia coli,Homo sapiens,Aldo-keto reductase family 1 member C3,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
8276,21DU,ELECTRON MICROSCOPY,2025-12-09,2026-02-11,,,,,21DU,1.0,2.9,experimental,10.1038/s41421-025-00866-1,Spodoptera frugiperda,Homo sapiens,Adhesion G-protein coupled receptor G6,5.0,OR9,"(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol",CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O,HSA,267.328
8281,3BSZ,X-RAY DIFFRACTION,2007-12-27,2008-11-11,,,,,3BSZ,2.0,3.38,experimental,10.1111/j.1742-4658.2008.06705.x,,Mus musculus,Fab fragment light chain,4.0,RTL,RETINOL,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C,HSA,286.45900000000006
8285,3UG8,X-RAY DIFFRACTION,2011-11-02,2012-08-15,IMN,2100.0,Ki,nM,3UG8,3.0,1.73,experimental,10.1371/journal.pone.0043965,Escherichia coli,Homo sapiens,Aldo-keto reductase family 1 member C3,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
8304,4R7I,X-RAY DIFFRACTION,2014-08-27,2015-08-12,STI,960.0,IC50,nM,4R7I,1.0,2.75,experimental,10.1056/NEJMoa1411366,Spodoptera frugiperda,Homo sapiens,Macrophage colony-stimulating factor 1 receptor,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
8313,9BDE,ELECTRON MICROSCOPY,2024-04-11,2024-12-25,,,,,9BDE,12.0,4.18,experimental,10.1038/s41586-024-08223-0,Homo sapiens,Homo sapiens,Low-density lipoprotein receptor,6.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
8319,2YDO,X-RAY DIFFRACTION,2011-03-23,2011-05-18,ADN,10000.0,Ki,nM,2YDO,3.0,3,experimental,10.1038/NATURE10136,Trichoplusia ni,Homo sapiens,ADENOSINE RECEPTOR A2A,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
8334,3UGR,X-RAY DIFFRACTION,2011-11-02,2012-08-15,IMN,2300.0,IC50,nM,3UGR,5.0,1.65,experimental,10.1371/journal.pone.0043965,Escherichia coli,Homo sapiens,Aldo-keto reductase family 1 member C3,1.0,NAP,NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,HSA,743.4090000000003
8353,5AQF,X-RAY DIFFRACTION,2015-09-22,2016-10-05,ADN,560000.0,IC50,nM,5AQF,16.0,1.88,experimental,10.1038/srep34701,Escherichia coli BL21,Homo sapiens,BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1,2.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
8356,6CHT,X-RAY DIFFRACTION,2018-02-22,2019-02-27,,,,,6CHT,8.0,3.174,experimental,10.1074/jbc.RA119.009558,,Homo sapiens,Proliferation-associated protein 2G4,2.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
8358,6KKB,X-RAY DIFFRACTION,2019-07-24,2019-10-23,8HO,13.0,EC50,nM,6KKB,1.0,1.7,experimental,10.1016/j.isci.2019.10.002,Escherichia coli BL21(DE3),Homo sapiens,SRC2-3,2.0,8HO,2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid,Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3,HSA,352.346
8360,6KKE,X-RAY DIFFRACTION,2019-07-25,2019-10-23,8HO,13.0,EC50,nM,6KKE,1.0,2.577,experimental,10.1016/j.isci.2019.10.002,Escherichia coli BL21(DE3),Homo sapiens,SRC2-3,2.0,8HO,2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid,Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3,HSA,352.346
8362,6NWK,X-RAY DIFFRACTION,2019-02-06,2019-10-23,,,,,6NWK,6.0,1.65,experimental,10.1124/mol.119.116806,,Homo sapiens,Peroxisome proliferator-activated receptor gamma coactivator 1-alpha,2.0,DEX,DEXAMETHASONE,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,HSA,392.4670000000001
8367,6SJ7,ELECTRON MICROSCOPY,2019-08-12,2019-12-18,,,,,6SJ7,1.0,3.54,experimental,10.1038/s41589-019-0411-6,Spodoptera frugiperda,Homo sapiens,DET1- and DDB1-associated protein 1,4.0,EF6,"N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide",c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl,HSA,385.85400000000004
8371,8RIK,ELECTRON MICROSCOPY,2023-12-18,2024-11-20,,,,,8RIK,5.0,3.6,experimental,10.1038/s41467-025-61498-3,Escherichia coli,Homo sapiens,Kinesin-1 heavy chain,3.0,GDP,GUANOSINE-5'-DIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,443.20200000000006
8376,9NTM,ELECTRON MICROSCOPY,2025-03-18,2025-07-23,,,,,9NTM,168.0,7.1,experimental,10.1016/j.cub.2025.06.020,,Bos taurus,Tubulin beta chain,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
8386,3LXK,X-RAY DIFFRACTION,2010-02-25,2010-06-02,,,,,3LXK,1.0,2,experimental,10.1016/j.jmb.2010.05.020,Spodoptera frugiperda,Homo sapiens,Tyrosine-protein kinase JAK3,1.0,MI1,"3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile",CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N,HSA,312.3770000000001
8387,4RZV,X-RAY DIFFRACTION,2014-12-24,2016-08-10,32,2290.0,EC50,nM,4RZV,2.0,2.994,experimental,,Escherichia coli,Homo sapiens,Serine/threonine-protein kinase B-raf,1.0,32,"N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide",CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F,HSA,489.9310000000001
8434,6KNW,X-RAY DIFFRACTION,2019-08-07,2019-10-23,8HO,13.0,EC50,nM,6KNW,1.0,2.67,experimental,10.1016/j.isci.2019.10.002,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor coactivator 2,2.0,8HO,2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid,Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3,HSA,352.346
8436,6QEX,ELECTRON MICROSCOPY,2019-01-08,2019-02-27,TA1,53900.0,IC50,nM,6QEX,22.0,3.6,experimental,10.1126/science.aav7102,Homo sapiens,Homo sapiens,Multidrug resistance protein 1,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
8443,6RZA,ELECTRON MICROSCOPY,2019-06-13,2019-07-10,,,,,6RZA,8.0,4.5,experimental,10.7554/eLife.47145,,Sus scrofa,Tubulin beta chain,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
8461,7A78,X-RAY DIFFRACTION,2020-08-27,2020-10-21,,,,,7A78,7.0,1.72,experimental,10.3390/ijms21228457,,Homo sapiens,Nuclear receptor coactivator 2,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
8467,8RIZ,ELECTRON MICROSCOPY,2023-12-19,2024-11-20,,,,,8RIZ,7.0,3.6,experimental,10.1038/s41467-025-61498-3,Escherichia coli,Homo sapiens,Kinesin-1 heavy chain,3.0,GDP,GUANOSINE-5'-DIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,443.20200000000006
8472,9GNQ,ELECTRON MICROSCOPY,2024-09-03,2024-11-20,,,,,9GNQ,5.0,2.9,experimental,10.1038/s41467-025-61498-3,Escherichia coli,Homo sapiens,Kinesin-1 heavy chain,3.0,ADP,ADENOSINE-5'-DIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N,HSA,427.2030000000001
8479,2E1Q,X-RAY DIFFRACTION,2006-10-27,2007-09-18,SAL,100000000.0,Ki,nM,2E1Q,36.0,2.6,experimental,10.1093/jb/mvm053,Escherichia coli,Homo sapiens,Xanthine dehydrogenase/oxidase,1.0,FES,FE2/S2 (INORGANIC) CLUSTER,S1[Fe]S[Fe]1,HSA,175.824
8480,2E1Q,X-RAY DIFFRACTION,2006-10-27,2007-09-18,SAL,100000000.0,Ki,nM,2E1Q,36.0,2.6,experimental,10.1093/jb/mvm053,Escherichia coli,Homo sapiens,Xanthine dehydrogenase/oxidase,1.0,FAD,FLAVIN-ADENINE DINUCLEOTIDE,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O,HSA,785.5570000000001
8481,2E1Q,X-RAY DIFFRACTION,2006-10-27,2007-09-18,SAL,100000000.0,Ki,nM,2E1Q,36.0,2.6,experimental,10.1093/jb/mvm053,Escherichia coli,Homo sapiens,Xanthine dehydrogenase/oxidase,1.0,MTE,"PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER",C(C1C(=C(C2C(O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,HSA,395.359
8484,3RE0,X-RAY DIFFRACTION,2011-04-02,2012-04-25,,,,,3RE0,3.0,2.28,experimental,10.1021/ja211591n,Escherichia coli,Homo sapiens,Superoxide dismutase [Cu-Zn],1.0,CPT,Cisplatin,[NH3][Pt]([NH3])(Cl)Cl,HSA,300.04600000000005
8485,6JOL,X-RAY DIFFRACTION,2019-03-22,2020-03-25,STI,90.0,EC50,nM,6JOL,1.0,1.9,experimental,,Spodoptera frugiperda,Homo sapiens,Platelet-derived growth factor receptor alpha,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
8500,6KNU,X-RAY DIFFRACTION,2019-08-07,2019-10-23,8HO,13.0,EC50,nM,6KNU,1.0,2.7,experimental,10.1016/j.isci.2019.10.002,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor coactivator 2,2.0,8HO,2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid,Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3,HSA,352.346
8502,6KNV,X-RAY DIFFRACTION,2019-08-07,2019-10-23,8HO,13.0,EC50,nM,6KNV,1.0,2.8,experimental,10.1016/j.isci.2019.10.002,Escherichia coli BL21(DE3),Homo sapiens,Nuclear receptor coactivator 2,2.0,8HO,2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid,Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3,HSA,352.346
8504,8RHH,ELECTRON MICROSCOPY,2023-12-15,2024-11-20,,,,,8RHH,8.0,3,experimental,10.1038/s41467-025-61498-3,,Sus scrofa,Tubulin alpha-1B chain,3.0,GDP,GUANOSINE-5'-DIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,443.20200000000006
8513,7RHQ,ELECTRON MICROSCOPY,2021-07-18,2022-03-02,,,,,7RHQ,9.0,3.53,experimental,10.1016/j.devcel.2022.02.008,Homo sapiens,Homo sapiens,Growth arrest-specific protein 1,3.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
8519,7JVQ,ELECTRON MICROSCOPY,2020-08-22,2021-02-24,OR9,110.0,IC50,nM,7JVQ,9.0,3,experimental,10.1016/j.cell.2021.01.027,Escherichia coli,synthetic construct,Nanobody35,5.0,OR9,"(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol",CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O,HSA,267.328
8577,11GS,X-RAY DIFFRACTION,1997-11-03,1999-01-13,EAA,4000.0,IC50,nM,11GS,6.0,2.3,experimental,10.1016/S0014-5793(97)01424-5,Escherichia coli,Homo sapiens,GLUTATHIONE S-TRANSFERASE,1.0,GSH,Glutathione,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N,HSA,307.32800000000003
8583,3DGQ,X-RAY DIFFRACTION,2008-06-15,2009-04-21,EAA,3400.0,IC50,nM,3DGQ,7.0,1.6,experimental,10.1002/anie.200900185,Escherichia coli,Homo sapiens,Glutathione S-transferase P,1.0,EAA,ETHACRYNIC ACID,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,HSA,303.141
8588,3GSS,X-RAY DIFFRACTION,1996-10-29,1997-11-12,EAA,3400.0,IC50,nM,3GSS,7.0,1.9,experimental,10.1021/bi962316i,Escherichia coli,Homo sapiens,GLUTATHIONE S-TRANSFERASE P1-1,1.0,MES,2-(N-MORPHOLINO)-ETHANESULFONIC ACID,C1COCC[NH+]1CCS(=O)(=O)[O-],HSA,195.23999999999998
8592,3KM6,X-RAY DIFFRACTION,2009-11-10,2010-03-23,EAA,26000.0,IC50,nM,3KM6,10.0,2.1,experimental,10.1002/jmr.1040,Escherichia coli,Homo sapiens,Glutathione S-transferase P,1.0,EAA,ETHACRYNIC ACID,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,HSA,303.141
8595,3KMO,X-RAY DIFFRACTION,2009-11-11,2010-03-23,EAA,3400.0,IC50,nM,3KMO,10.0,2.6,experimental,,Escherichia coli,Homo sapiens,Glutathione S-transferase P,1.0,GSH,Glutathione,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N,HSA,307.32800000000003
8598,3N9J,X-RAY DIFFRACTION,2010-05-30,2011-05-11,EAA,4000.0,IC50,nM,3N9J,9.0,1.85,experimental,,Escherichia coli,Homo sapiens,Glutathione S-transferase P,1.0,EAA,ETHACRYNIC ACID,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,HSA,303.141
8603,3OG7,X-RAY DIFFRACTION,2010-08-16,2010-09-22,32,58.0,Kd,nM,3OG7,1.0,2.45,experimental,10.1038/nature09454,Escherichia coli,Homo sapiens,AKAP9-BRAF fusion protein,1.0,32,"N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide",CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F,HSA,489.9310000000001
8650,6PAI,X-RAY DIFFRACTION,2019-06-11,2019-09-18,,,,,6PAI,4.0,2.9,experimental,10.1016/j.str.2019.10.005,Spodoptera frugiperda,Homo sapiens,DET1- and DDB1-associated protein 1,4.0,EPE,4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID,C1CN(CCN1CCO)CCS(=O)(=O)O,HSA,238.309
8654,6TTP,X-RAY DIFFRACTION,2019-12-30,2020-03-04,ADN,495000.0,IC50,nM,6TTP,2.0,2,experimental,10.1002/cmdc.202000011,Spodoptera frugiperda,Homo sapiens,N6-adenosine-methyltransferase non-catalytic subunit,2.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
8656,6UE5,X-RAY DIFFRACTION,2019-09-20,2019-12-18,,,,,6UE5,2.0,2.61,experimental,10.1038/s41589-019-0411-6,Escherichia coli,Homo sapiens,DET1- and DDB1-associated protein 1,4.0,Q5J,4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide,Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN,HSA,340.40800000000013
8660,7E7D,ELECTRON MICROSCOPY,2021-02-25,2021-03-24,,,,,7E7D,22.0,3.2,experimental,10.1128/JVI.00194-21,Cricetulus griseus,"Severe acute respiratory syndrome coronavirus 2, Homo sapiens","Spike glycoprotein,Collagen alpha-1(I) chain",1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
8661,7E7D,ELECTRON MICROSCOPY,2021-02-25,2021-03-24,,,,,7E7D,22.0,3.2,experimental,10.1128/JVI.00194-21,Cricetulus griseus,"Severe acute respiratory syndrome coronavirus 2, Homo sapiens","Spike glycoprotein,Collagen alpha-1(I) chain",1.0,ELA,Elaidic acid,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
8662,7MXC,X-RAY DIFFRACTION,2021-05-18,2021-11-17,,,,,7MXC,1.0,2.41,experimental,10.1158/1535-7163.MCT-21-0620,Spodoptera frugiperda,Homo sapiens,Methylosome protein 50,2.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
8664,7TR2,ELECTRON MICROSCOPY,2022-01-27,2022-07-13,,,,,7TR2,4.0,3,experimental,10.1038/s41467-022-31794-3,,Sus scrofa,Tubulin beta-2B chain,3.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
8670,8SER,ELECTRON MICROSCOPY,2023-04-10,2023-05-24,,,,,8SER,8.0,3.42,experimental,10.1016/j.str.2023.04.009,Escherichia coli,Homo sapiens,"Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B",2.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
8673,9FUP,X-RAY DIFFRACTION,2024-06-26,2025-01-22,,,,,9FUP,20.0,2.5,experimental,10.1038/s42004-024-01404-y,Spodoptera frugiperda,Homo sapiens,"Adenosine receptor A2a,Soluble cytochrome b562",1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
8674,9FUP,X-RAY DIFFRACTION,2024-06-26,2025-01-22,,,,,9FUP,20.0,2.5,experimental,10.1038/s42004-024-01404-y,Spodoptera frugiperda,Homo sapiens,"Adenosine receptor A2a,Soluble cytochrome b562",1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
8675,9FUP,X-RAY DIFFRACTION,2024-06-26,2025-01-22,,,,,9FUP,20.0,2.5,experimental,10.1038/s42004-024-01404-y,Spodoptera frugiperda,Homo sapiens,"Adenosine receptor A2a,Soluble cytochrome b562",1.0,OLB,"(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O,HSA,356.547
8676,9FUP,X-RAY DIFFRACTION,2024-06-26,2025-01-22,,,,,9FUP,20.0,2.5,experimental,10.1038/s42004-024-01404-y,Spodoptera frugiperda,Homo sapiens,"Adenosine receptor A2a,Soluble cytochrome b562",1.0,OLC,"(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O,HSA,356.547
8677,9FUP,X-RAY DIFFRACTION,2024-06-26,2025-01-22,,,,,9FUP,20.0,2.5,experimental,10.1038/s42004-024-01404-y,Spodoptera frugiperda,Homo sapiens,"Adenosine receptor A2a,Soluble cytochrome b562",1.0,JQ9,"8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione",CCN1c2c(n(c(n2)C=Cc3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC,HSA,384.4360000000002
8684,9LLG,ELECTRON MICROSCOPY,2025-01-17,2026-03-04,,,,,9LLG,4.0,2.77,experimental,,Homo sapiens,"Homo sapiens, Escherichia coli","D(1A) dopamine receptor,Soluble cytochrome b562",1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
8687,7UD6,X-RAY DIFFRACTION,2022-03-18,2023-01-11,,,,,7UD6,2.0,2.59,experimental,10.1038/s41589-022-01206-0,Escherichia coli BL21(DE3),"Homo sapiens, Rattus norvegicus","Tyrosine-protein kinase Fyn,Catechol O-methyltransferase",1.0,SAH,S-ADENOSYL-L-HOMOCYSTEINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N,HSA,384.4180000000001
8691,3VG9,X-RAY DIFFRACTION,2011-08-04,2012-02-01,ZMA,0.3000000119,Ki,nM,3VG9,8.0,2.7,experimental,10.1038/nature10750,Komagataella pastoris,Homo sapiens,Adenosine receptor A2a,1.0,ZMA,"4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol",c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,HSA,337.3430000000001
8729,4OLB,X-RAY DIFFRACTION,2014-01-23,2014-02-05,,,,,4OLB,2.0,2.899,experimental,10.1126/science.1221551,Spodoptera frugiperda,Homo sapiens,5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*U)-3',2.0,TRP,TRYPTOPHAN,c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N,HSA,204.22899999999996
8731,5D5A,X-RAY DIFFRACTION,2015-08-10,2016-01-13,,,,,5D5A,15.0,2.4826,experimental,10.1107/S2059798315021683,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor",1.0,CAU,(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol,CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O,HSA,298.386
8734,5D5A,X-RAY DIFFRACTION,2015-08-10,2016-01-13,,,,,5D5A,15.0,2.4826,experimental,10.1107/S2059798315021683,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor",1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
8735,5D5A,X-RAY DIFFRACTION,2015-08-10,2016-01-13,,,,,5D5A,15.0,2.4826,experimental,10.1107/S2059798315021683,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
8736,5D5A,X-RAY DIFFRACTION,2015-08-10,2016-01-13,,,,,5D5A,15.0,2.4826,experimental,10.1107/S2059798315021683,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor",1.0,12P,DODECAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,HSA,546.6510000000006
8739,5D6L,X-RAY DIFFRACTION,2015-08-12,2016-08-17,,,,,5D6L,15.0,3.2,experimental,10.1038/nprot.2017.057,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor",1.0,CAU,(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol,CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O,HSA,298.386
8742,5D6L,X-RAY DIFFRACTION,2015-08-12,2016-08-17,,,,,5D6L,15.0,3.2,experimental,10.1038/nprot.2017.057,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor",1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
8743,5D6L,X-RAY DIFFRACTION,2015-08-12,2016-08-17,,,,,5D6L,15.0,3.2,experimental,10.1038/nprot.2017.057,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
8744,5D6L,X-RAY DIFFRACTION,2015-08-12,2016-08-17,,,,,5D6L,15.0,3.2,experimental,10.1038/nprot.2017.057,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor",1.0,12P,DODECAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,HSA,546.6510000000006
8745,6LQA,ELECTRON MICROSCOPY,2020-01-13,2021-03-24,,,,,6LQA,10.0,3.3,experimental,10.1002/anie.202102196,Homo sapiens,Homo sapiens,Sodium channel protein type 5 subunit alpha,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
8746,6LQA,ELECTRON MICROSCOPY,2020-01-13,2021-03-24,,,,,6LQA,10.0,3.3,experimental,10.1002/anie.202102196,Homo sapiens,Homo sapiens,Sodium channel protein type 5 subunit alpha,1.0,QDN,Quinidine,COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O,HSA,324.4240000000001
8752,7E7B,ELECTRON MICROSCOPY,2021-02-25,2021-03-24,,,,,7E7B,21.0,2.6,experimental,10.1128/JVI.00194-21,Cricetulus griseus,"Severe acute respiratory syndrome coronavirus 2, Homo sapiens","Spike glycoprotein,Collagen alpha-1(I) chain",1.0,VCG,"2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside",CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,HSA,604.8220000000002
8753,7E7B,ELECTRON MICROSCOPY,2021-02-25,2021-03-24,,,,,7E7B,21.0,2.6,experimental,10.1128/JVI.00194-21,Cricetulus griseus,"Severe acute respiratory syndrome coronavirus 2, Homo sapiens","Spike glycoprotein,Collagen alpha-1(I) chain",1.0,ELA,Elaidic acid,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
8754,7E7B,ELECTRON MICROSCOPY,2021-02-25,2021-03-24,,,,,7E7B,21.0,2.6,experimental,10.1128/JVI.00194-21,Cricetulus griseus,"Severe acute respiratory syndrome coronavirus 2, Homo sapiens","Spike glycoprotein,Collagen alpha-1(I) chain",1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
8757,8GNG,X-RAY DIFFRACTION,2022-08-23,2023-03-22,JQ9,2.200000048,Ki,nM,8GNG,16.0,3.2,experimental,10.1124/molpharm.122.000633,Komagataella pastoris,Homo sapiens,Adenosine receptor A2a,1.0,JQ9,"8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione",CCN1c2c(n(c(n2)C=Cc3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC,HSA,384.4360000000002
8777,8RW0,X-RAY DIFFRACTION,2024-02-02,2025-01-08,,,,,8RW0,28.0,1.94,experimental,10.1038/s41467-024-55109-w,Trichoplusia ni,Homo sapiens,"Adenosine receptor A2a,Soluble cytochrome b562",1.0,JQ9,"8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione",CCN1c2c(n(c(n2)C=Cc3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC,HSA,384.4360000000002
8778,8RW0,X-RAY DIFFRACTION,2024-02-02,2025-01-08,,,,,8RW0,28.0,1.94,experimental,10.1038/s41467-024-55109-w,Trichoplusia ni,Homo sapiens,"Adenosine receptor A2a,Soluble cytochrome b562",1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
8779,8RW0,X-RAY DIFFRACTION,2024-02-02,2025-01-08,,,,,8RW0,28.0,1.94,experimental,10.1038/s41467-024-55109-w,Trichoplusia ni,Homo sapiens,"Adenosine receptor A2a,Soluble cytochrome b562",1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
8781,9PWO,ELECTRON MICROSCOPY,2025-08-04,2025-12-03,,,,,9PWO,24.0,3.36,experimental,10.1038/s41467-025-66522-0,Escherichia coli,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP1B,2.0,CFF,CAFFEINE,Cn1cnc2c1C(=O)N(C(=O)N2C)C,HSA,194.194
8785,3HJO,X-RAY DIFFRACTION,2009-05-22,2009-09-22,EAA,4000.0,IC50,nM,3HJO,12.0,1.95,experimental,10.1002/pro.253,Escherichia coli,Homo sapiens,Glutathione S-transferase P,1.0,GSH,Glutathione,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N,HSA,307.32800000000003
8789,4XV2,X-RAY DIFFRACTION,2015-01-26,2015-10-28,P06,1.0,IC50,nM,4XV2,2.0,2.5,experimental,10.1038/nature14982,Escherichia coli,Homo sapiens,Serine/threonine-protein kinase B-raf,1.0,P06,Dabrafenib,CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F,HSA,519.5740000000002
8803,5CSW,X-RAY DIFFRACTION,2015-07-23,2016-03-09,P06,0.6000000238,IC50,nM,5CSW,3.0,2.66,experimental,10.1158/1535-7163.MCT-15-0617,Escherichia coli,Homo sapiens,Serine/threonine-protein kinase B-raf,1.0,P06,Dabrafenib,CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F,HSA,519.5740000000002
8817,5D5B,X-RAY DIFFRACTION,2015-08-10,2016-01-13,,,,,5D5B,13.0,3.8,experimental,10.1107/S2059798315021683,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor",1.0,CAU,(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol,CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O,HSA,298.386
8820,5D5B,X-RAY DIFFRACTION,2015-08-10,2016-01-13,,,,,5D5B,13.0,3.8,experimental,10.1107/S2059798315021683,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor",1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
8821,5D5B,X-RAY DIFFRACTION,2015-08-10,2016-01-13,,,,,5D5B,13.0,3.8,experimental,10.1107/S2059798315021683,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
8823,5HIE,X-RAY DIFFRACTION,2016-01-11,2016-04-06,P06,9.699999809,IC50,nM,5HIE,4.0,3,experimental,10.1016/j.ccell.2016.02.010,Trichoplusia ni,Homo sapiens,Serine/threonine-protein kinase B-raf,1.0,P06,Dabrafenib,CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F,HSA,519.5740000000002
8837,5ITZ,X-RAY DIFFRACTION,2016-03-17,2016-06-01,,,,,5ITZ,4.0,2.2,experimental,10.1016/j.devcel.2016.04.024,Escherichia coli BL21(DE3),synthetic construct,Designed ankyrin repeat protein (DARPIN) D1,4.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
8841,6CBD,X-RAY DIFFRACTION,2018-02-02,2018-04-18,,,,,6CBD,9.0,2.203,experimental,10.1016/j.cell.2018.02.051,,synthetic construct,Target RNA,3.0,TRP,TRYPTOPHAN,c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N,HSA,204.22899999999996
8844,6UD7,X-RAY DIFFRACTION,2019-09-18,2019-12-18,,,,,6UD7,3.0,2.3,experimental,10.1038/s41589-019-0411-6,Spodoptera frugiperda,Homo sapiens,DDB1- and CUL4-associated factor 15,1.0,EF6,"N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide",c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl,HSA,385.85400000000004
8853,8C1L,X-RAY DIFFRACTION,2022-12-20,2024-01-10,,,,,8C1L,5.0,2,experimental,,,Homo sapiens,Nuclear receptor coactivator 2,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
8861,3U9Q,X-RAY DIFFRACTION,2011-10-19,2011-11-09,,,,,3U9Q,1.0,1.522,experimental,10.1074/jbc.M111.294785,,Homo sapiens,PGC-1a peptide,2.0,DKA,DECANOIC ACID,CCCCCCCCCC(=O)O,HSA,172.268
8863,1ERR,X-RAY DIFFRACTION,1997-09-08,1998-09-16,RAL,1.899999976,IC50,nM,1ERR,2.0,2.6,experimental,10.1038/39645,Escherichia coli,Homo sapiens,ESTROGEN RECEPTOR,1.0,RAL,RALOXIFENE,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O,HSA,473.5940000000004
8903,2QXS,X-RAY DIFFRACTION,2007-08-12,2008-09-02,RAL,170.0,IC50,nM,2QXS,2.0,1.7,experimental,10.1038/nchembio.451,Escherichia coli,Homo sapiens,Estrogen receptor,1.0,RAL,RALOXIFENE,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O,HSA,473.5940000000004
8944,2RH1,X-RAY DIFFRACTION,2007-10-05,2007-10-30,,,,,2RH1,15.0,2.4,experimental,10.1126/science.1150577,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4",beta-2-adrenergic receptor/T4-lysozyme chimera,1.0,CAU,(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol,CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O,HSA,298.386
8947,2RH1,X-RAY DIFFRACTION,2007-10-05,2007-10-30,,,,,2RH1,15.0,2.4,experimental,10.1126/science.1150577,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4",beta-2-adrenergic receptor/T4-lysozyme chimera,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
8948,2RH1,X-RAY DIFFRACTION,2007-10-05,2007-10-30,,,,,2RH1,15.0,2.4,experimental,10.1126/science.1150577,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4",beta-2-adrenergic receptor/T4-lysozyme chimera,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
8949,2RH1,X-RAY DIFFRACTION,2007-10-05,2007-10-30,,,,,2RH1,15.0,2.4,experimental,10.1126/science.1150577,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4",beta-2-adrenergic receptor/T4-lysozyme chimera,1.0,12P,DODECAETHYLENE GLYCOL,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,HSA,546.6510000000006
8950,3EML,X-RAY DIFFRACTION,2008-09-24,2008-10-14,,,,,3EML,13.0,2.6,experimental,10.1126/science.1164772,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4",Human Adenosine A2A receptor/T4 lysozyme chimera,1.0,ZMA,"4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol",c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,HSA,337.3430000000001
8951,3EML,X-RAY DIFFRACTION,2008-09-24,2008-10-14,,,,,3EML,13.0,2.6,experimental,10.1126/science.1164772,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4",Human Adenosine A2A receptor/T4 lysozyme chimera,1.0,STE,STEARIC ACID,CCCCCCCCCCCCCCCCCC(=O)O,HSA,284.4839999999999
8957,6Q0W,X-RAY DIFFRACTION,2019-08-02,2019-11-13,,,,,6Q0W,2.0,2.9,experimental,10.1038/s41589-019-0378-3,Trichoplusia ni,Homo sapiens,DET1- and DDB1-associated protein 1,5.0,EF6,"N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide",c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl,HSA,385.85400000000004
8964,8J8L,ELECTRON MICROSCOPY,2023-05-02,2024-07-17,DAH,100000.0,IC50,nM,8J8L,1.0,3.56,experimental,10.1016/j.jbc.2025.110569,Homo sapiens,Homo sapiens,Large neutral amino acids transporter small subunit 1,2.0,DAH,"3,4-DIHYDROXYPHENYLALANINE",c1cc(c(cc1CC(C(=O)O)N)O)O,HSA,197.19
8966,8T3O,ELECTRON MICROSCOPY,2023-06-07,2024-01-17,YN9,16.97999954,EC50,nM,8T3O,3.0,3.06,experimental,10.1126/sciadv.adj2384,Spodoptera frugiperda,Mus musculus,scFv16,5.0,YN9,"3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid",Cc1ccc(cc1)c2ccc(cc2COc3ccc(cc3)CCC(=O)O)F,HSA,364.4160000000001
8973,9FAS,ELECTRON MICROSCOPY,2024-05-10,2025-05-28,,,,,9FAS,44.0,2.5,experimental,,Homo sapiens,Homo sapiens,Isoform 1 of Gamma-aminobutyric acid receptor subunit gamma-2,3.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
8993,13GS,X-RAY DIFFRACTION,1997-11-20,1999-01-13,,,,,13GS,7.0,1.9,experimental,10.1006/jmbi.1999.3029,Escherichia coli,Homo sapiens,GLUTATHIONE S-TRANSFERASE,1.0,GSH,Glutathione,C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N,HSA,307.32800000000003
8994,13GS,X-RAY DIFFRACTION,1997-11-20,1999-01-13,,,,,13GS,7.0,1.9,experimental,10.1006/jmbi.1999.3029,Escherichia coli,Homo sapiens,GLUTATHIONE S-TRANSFERASE,1.0,SAS,2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3ccc(c(c3)C(=O)O)O,HSA,398.40000000000015
8995,13GS,X-RAY DIFFRACTION,1997-11-20,1999-01-13,,,,,13GS,7.0,1.9,experimental,10.1006/jmbi.1999.3029,Escherichia coli,Homo sapiens,GLUTATHIONE S-TRANSFERASE,1.0,MES,2-(N-MORPHOLINO)-ETHANESULFONIC ACID,C1COCC[NH+]1CCS(=O)(=O)[O-],HSA,195.23999999999998
8996,1K4W,X-RAY DIFFRACTION,2001-10-09,2002-04-09,,,,,1K4W,1.0,1.9,experimental,10.1093/emboj/20.21.5822,,,steroid receptor coactivator-1,2.0,STE,STEARIC ACID,CCCCCCCCCCCCCCCCCC(=O)O,HSA,284.4839999999999
9002,3DBX,X-RAY DIFFRACTION,2008-06-02,2008-11-25,,,,,3DBX,4.0,2,experimental,10.1073/pnas.0809814105,Spodoptera frugiperda,Homo sapiens,Beta-2-microglobulin,2.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
9017,7NDO,X-RAY DIFFRACTION,2021-02-02,2021-08-25,,,,,7NDO,13.0,1.6,experimental,10.1038/s41598-021-89785-1,Escherichia coli BL21(DE3),Homo sapiens,Estrogen receptor,1.0,RAL,RALOXIFENE,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O,HSA,473.5940000000004
9023,8T3S,ELECTRON MICROSCOPY,2023-06-07,2024-01-24,,,,,8T3S,4.0,3.07,experimental,10.1126/sciadv.adj2384,Spodoptera frugiperda,Homo sapiens,Free fatty acid receptor 2,5.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
9028,8THH,ELECTRON MICROSCOPY,2023-07-16,2023-11-22,IYJ,17000.0,IC50,nM,8THH,21.0,2.7,experimental,10.1073/pnas.2309773120,Homo sapiens,Homo sapiens,Sodium channel subunit beta-2,3.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
9034,9CM3,ELECTRON MICROSCOPY,2024-07-12,2025-06-25,,,,,9CM3,4.0,3.06,experimental,10.1038/s41586-025-09186-6,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2,5.0,9UJ,"(2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid",Cc1c(c(on1)C)c2ccc(cc2)C(=O)N3C(CSC3c4ccccc4Cl)C(=O)O,HSA,442.9240000000001
9039,9L84,ELECTRON MICROSCOPY,2024-12-27,2025-12-31,,,,,9L84,2.0,3.22,experimental,,Trichoplusia ni,Bos taurus,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,1.0,DR7,"(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,
6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER",CC(C)(C)C(C(=O)NC(Cc1ccccc1)C(CN(Cc2ccc(cc2)c3ccccn3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC,HSA,704.8690000000001
9044,9MD1,ELECTRON MICROSCOPY,2024-12-05,2025-08-13,,,,,9MD1,12.0,3.03,experimental,10.1126/sciadv.adu9851,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(z) subunit alpha,1.0,YLX,Buspirone,c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O,HSA,385.5120000000003
9048,9OCL,ELECTRON MICROSCOPY,2025-04-24,2025-12-17,,,,,9OCL,1.0,3.65,experimental,10.1038/s41467-025-68226-x,,Homo sapiens,10D2 Light Chain,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
9054,9ZD2,ELECTRON MICROSCOPY,2025-11-24,2026-02-25,,,,,9ZD2,8.0,3.1,experimental,,,Homo sapiens,Stomatin,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
9056,1N4H,X-RAY DIFFRACTION,2002-10-31,2003-09-23,,,,,1N4H,1.0,2.1,experimental,10.1038/nsb979,,,Steroid Receptor Coactivator-1,2.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
9059,3UVV,X-RAY DIFFRACTION,2011-11-30,2012-04-18,9CR,14.0,Kd,nM,3UVV,2.0,2.95,experimental,10.1073/pnas.1119852109,Escherichia coli BL21(DE3),Homo sapiens,Retinoic acid receptor RXR-alpha,2.0,T3,"3,5,3'TRIIODOTHYRONINE",c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O,HSA,650.9760000000001
9161,7KBS,X-RAY DIFFRACTION,2020-10-02,2020-11-18,,,,,7KBS,2.0,1.834,experimental,10.7554/eLife.72512,Escherichia coli,Homo sapiens,Estrogen receptor,1.0,RAL,RALOXIFENE,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O,HSA,473.5940000000004
9162,7UJC,X-RAY DIFFRACTION,2022-03-30,2022-06-15,,,,,7UJC,2.0,1.78,experimental,10.7554/eLife.72512,Escherichia coli,Homo sapiens,Estrogen receptor,1.0,RAL,RALOXIFENE,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O,HSA,473.5940000000004
9163,7VOE,X-RAY DIFFRACTION,2021-10-13,2021-12-22,,,,,7VOE,10.0,2.9,experimental,10.1038/s41593-021-00971-w,Spodoptera frugiperda,Homo sapiens,"5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
9164,7VOE,X-RAY DIFFRACTION,2021-10-13,2021-12-22,,,,,7VOE,10.0,2.9,experimental,10.1038/s41593-021-00971-w,Spodoptera frugiperda,Homo sapiens,"5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,1PE,PENTAETHYLENE GLYCOL,C(COCCOCCOCCOCCO)O,HSA,238.27999999999994
9165,7VOE,X-RAY DIFFRACTION,2021-10-13,2021-12-22,,,,,7VOE,10.0,2.9,experimental,10.1038/s41593-021-00971-w,Spodoptera frugiperda,Homo sapiens,"5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,OLC,"(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O,HSA,356.547
9166,7VOE,X-RAY DIFFRACTION,2021-10-13,2021-12-22,,,,,7VOE,10.0,2.9,experimental,10.1038/s41593-021-00971-w,Spodoptera frugiperda,Homo sapiens,"5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,9SC,"7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one",c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4,HSA,448.3940000000003
9171,8E8Y,ELECTRON MICROSCOPY,2022-08-26,2023-06-21,,,,,8E8Y,1.0,2.5,experimental,10.1038/s41467-023-41052-9,Homo sapiens,Homo sapiens,9H2 Fab light chain,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
9177,8KDO,ELECTRON MICROSCOPY,2023-08-09,2025-02-12,,,,,8KDO,1.0,4.12,experimental,10.1038/s41467-025-56903-w,Homo sapiens,Homo sapiens,Large neutral amino acids transporter small subunit 1,2.0,VUC,melphalan,c1cc(ccc1CC(C(=O)O)N)N(CCCl)CCCl,HSA,305.2049999999999
9179,9CLW,ELECTRON MICROSCOPY,2024-07-12,2025-06-25,,,,,9CLW,4.0,3.19,experimental,10.1038/s41586-025-09186-6,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2,5.0,9UJ,"(2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid",Cc1c(c(on1)C)c2ccc(cc2)C(=O)N3C(CSC3c4ccccc4Cl)C(=O)O,HSA,442.9240000000001
9189,9N9G,ELECTRON MICROSCOPY,2025-02-10,2026-02-04,,,,,9N9G,10.0,3,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Kinetochore protein Nuf2,4.0,TA1,TAXOL,CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C,HSA,853.9180000000003
9193,9OL4,ELECTRON MICROSCOPY,2025-05-12,2026-01-28,,,,,9OL4,24.0,3.37,experimental,10.1038/s41467-025-66522-0,Escherichia coli,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP1B,2.0,CFF,CAFFEINE,Cn1cnc2c1C(=O)N(C(=O)N2C)C,HSA,194.194
9197,3NMS,X-RAY DIFFRACTION,2010-06-22,2010-08-04,,,,,3NMS,1.0,4.1,experimental,10.1016/j.jmb.2010.07.029,,Homo sapiens,Complement C3,4.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
9201,8I2G,ELECTRON MICROSCOPY,2023-01-14,2023-03-29,,,,,8I2G,23.0,2.8,experimental,10.1038/s41467-023-36170-3,Spodoptera frugiperda,"Cricetulus griseus, Homo sapiens",chimera of Guanine nucleotide-binding protein G(s) subunit alpha and Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
9208,1PZL,X-RAY DIFFRACTION,2003-07-11,2004-06-01,,,,,1PZL,1.0,2.1,experimental,10.1074/jbc.M400864200,,,steroid receptor coactivator-1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
9211,3IYP,ELECTRON MICROSCOPY,2010-04-07,2010-11-24,,,,,3IYP,1.0,7.2,experimental,10.1128/JVI.00837-10,,Homo sapiens,Complement decay-accelerating factor,5.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
9216,4IQR,X-RAY DIFFRACTION,2013-01-13,2013-03-20,,,,,4IQR,12.0,2.9,experimental,10.1038/nature11966,,Homo sapiens,Nuclear receptor coactivator 2,4.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
9220,6A94,X-RAY DIFFRACTION,2018-07-11,2019-02-13,,,,,6A94,8.0,2.9,experimental,10.1038/s41594-018-0180-z,Spodoptera frugiperda,"Homo sapiens, Escherichia coli","5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,ZOT,"2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine",CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl,HSA,331.86800000000005
9221,6A94,X-RAY DIFFRACTION,2018-07-11,2019-02-13,,,,,6A94,8.0,2.9,experimental,10.1038/s41594-018-0180-z,Spodoptera frugiperda,"Homo sapiens, Escherichia coli","5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
9222,6A94,X-RAY DIFFRACTION,2018-07-11,2019-02-13,,,,,6A94,8.0,2.9,experimental,10.1038/s41594-018-0180-z,Spodoptera frugiperda,"Homo sapiens, Escherichia coli","5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,1PE,PENTAETHYLENE GLYCOL,C(COCCOCCOCCOCCO)O,HSA,238.27999999999994
9224,6A94,X-RAY DIFFRACTION,2018-07-11,2019-02-13,,,,,6A94,8.0,2.9,experimental,10.1038/s41594-018-0180-z,Spodoptera frugiperda,"Homo sapiens, Escherichia coli","5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
9225,6A94,X-RAY DIFFRACTION,2018-07-11,2019-02-13,,,,,6A94,8.0,2.9,experimental,10.1038/s41594-018-0180-z,Spodoptera frugiperda,"Homo sapiens, Escherichia coli","5-hydroxytryptamine receptor 2A,Soluble cytochrome b562",1.0,A6L,"2,3-dihydroxypropyl (9Z)-octadec-9-enoate",CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O,HSA,356.547
9231,6HUP,ELECTRON MICROSCOPY,2018-10-09,2019-01-02,ABU,3700.0,EC50,nM,6HUP,7.0,3.58,experimental,10.1038/s41586-018-0832-5,Escherichia coli,Lama glama,Megabody Mb38,4.0,PIO,"[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate",CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,HSA,746.5699999999999
9301,6X3X,ELECTRON MICROSCOPY,2020-05-21,2020-09-09,ABU,28000.0,EC50,nM,6X3X,8.0,2.92,experimental,10.1038/s41586-020-2654-5,Homo sapiens,Homo sapiens,Gamma-aminobutyric acid receptor subunit beta-2,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
9385,8.00E+59,ELECTRON MICROSCOPY,2022-08-20,2022-12-07,BBI,1900.0,IC50,nM,8.00E+59,6.0,3.1,experimental,10.1016/j.cell.2022.10.024,Homo sapiens,Homo sapiens,Voltage-dependent L-type calcium channel subunit beta-3,3.0,BBI,"(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone",CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I,HSA,645.3190000000002
9389,9DRX,ELECTRON MICROSCOPY,2024-09-26,2025-01-22,,,,,9DRX,5.0,2.95,experimental,10.1038/s41586-024-08454-1,Homo sapiens,Homo sapiens,Gamma-aminobutyric acid receptor subunit beta-2,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
9394,9FAR,ELECTRON MICROSCOPY,2024-05-10,2025-07-02,,,,,9FAR,5.0,2.9,experimental,,Homo sapiens,Homo sapiens,Isoform 2 of Gamma-aminobutyric acid receptor subunit gamma-2,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
9399,9VJE,ELECTRON MICROSCOPY,2025-06-19,2025-11-12,,,,,9VJE,4.0,2.47,experimental,,Spodoptera frugiperda,Mus musculus,ScFv16,4.0,YLX,Buspirone,c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O,HSA,385.5120000000003
9409,4DM8,X-RAY DIFFRACTION,2012-02-07,2012-03-07,REA,1000.0,IC50,nM,4DM8,2.0,2.3,experimental,10.1073/pnas.1118192109,,Homo sapiens,Nuclear receptor coactivator 1,2.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
9443,7KHG,X-RAY DIFFRACTION,2020-10-21,2021-07-07,,,,,7KHG,1.0,2.15,experimental,10.1001/jamaoncol.2021.2086,Escherichia coli,Homo sapiens,Mast/stem cell growth factor receptor Kit,1.0,P31,"5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine",c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F,HSA,417.82200000000006
9444,7UHF,ELECTRON MICROSCOPY,2022-03-26,2022-05-11,,,,,7UHF,8.0,3.1,experimental,10.1038/s41422-022-00663-5,Homo sapiens,Homo sapiens,Voltage-dependent L-type calcium channel subunit beta-3,3.0,N90,1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine,c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4,HSA,368.524
9449,8SUY,ELECTRON MICROSCOPY,2023-05-14,2024-09-25,,,,,8SUY,1.0,3.38,experimental,10.7554/eLife.91432,Trichoplusia ni,Homo sapiens,Nuclear cap-binding protein subunit 1,1.0,M7G,7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE,C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O,HSA,458.2370000000001
9451,9VJF,ELECTRON MICROSCOPY,2025-06-19,2025-11-12,,,,,9VJF,4.0,2.7,experimental,,Spodoptera frugiperda,Homo sapiens,"Soluble cytochrome b562,5-hydroxytryptamine receptor 1A",5.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
9456,3C7Q,X-RAY DIFFRACTION,2008-02-08,2008-12-23,XIN,4.699999809,IC50,nM,3C7Q,6.0,2.1,experimental,10.1158/0008-5472.CAN-07-6307,Spodoptera frugiperda,Homo sapiens,Vascular endothelial growth factor receptor 2,1.0,XIN,"methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate",CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5,HSA,539.6360000000003
9465,3GWX,X-RAY DIFFRACTION,1999-04-26,2000-04-26,EPA,4000.0,IC50,nM,3GWX,2.0,2.4,experimental,10.1016/S1097-2765(00)80467-0,Escherichia coli,Homo sapiens,PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)),1.0,EPA,"5,8,11,14,17-EICOSAPENTAENOIC ACID",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,302.458
9471,4ASE,X-RAY DIFFRACTION,2012-04-30,2012-09-26,,,,,4ASE,1.0,1.83,experimental,10.1073/PNAS.1207759109,Spodoptera frugiperda,Homo sapiens,VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2,1.0,AV9,TIVOZANIB,CC1=CC(=NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)NO1,HSA,454.87000000000023
9472,7D76,ELECTRON MICROSCOPY,2020-10-03,2021-02-03,,,,,7D76,7.0,3.1,experimental,10.1038/s41586-020-03083-w,Spodoptera frugiperda,Homo sapiens,Adhesion G protein-coupled receptor G3; GPR97,4.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
9476,8HAF,ELECTRON MICROSCOPY,2022-10-26,2022-12-21,,,,,8HAF,17.0,3.25,experimental,10.1038/s41401-022-01032-z,Trichoplusia ni,Homo sapiens,Parathyroid hormone/parathyroid hormone-related peptide receptor,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
9482,9EQG,ELECTRON MICROSCOPY,2024-03-21,2024-09-18,,,,,9EQG,41.0,2.4,experimental,10.1038/s41586-024-07929-5,Homo sapiens,Homo sapiens,Gamma-aminobutyric acid receptor subunit gamma-2,3.0,PGW,"(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl
(9Z)-octadec-9-enoate",CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,749.0199999999993
9493,9FAN,ELECTRON MICROSCOPY,2024-05-10,2025-07-02,,,,,9FAN,5.0,2.9,experimental,,Homo sapiens,Homo sapiens,LHFPL tetraspan subfamily member 4 protein,3.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
9498,1G50,X-RAY DIFFRACTION,2000-10-30,2002-02-06,,,,,1G50,3.0,2.9,experimental,10.1006/prep.2001.1409,Escherichia coli BL21(DE3),Homo sapiens,ESTROGEN RECEPTOR,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
9499,1GS4,X-RAY DIFFRACTION,2001-12-27,2003-01-16,,,,,1GS4,2.0,1.95,experimental,10.1021/JM011072J,Escherichia coli BL21(DE3),Homo sapiens,ANDROGEN RECEPTOR,1.0,ZK5,9ALPHA-FLUOROCORTISOL,CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C(=O)CO)O)C)O)F,HSA,380.4560000000001
9501,1QKT,X-RAY DIFFRACTION,1999-08-05,2000-08-18,,,,,1QKT,1.0,2.2,experimental,10.1074/JBC.M009870200,Escherichia coli BL21,Homo sapiens,ESTRADIOL RECEPTOR,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
9545,2EVA,X-RAY DIFFRACTION,2005-10-31,2006-05-02,ADN,4400.0,Kd,nM,2EVA,1.0,2,experimental,10.1016/j.jmb.2005.09.098,Spodoptera frugiperda,Homo sapiens,TAK1 kinase - TAB1 chimera fusion protein,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
9547,2ITO,X-RAY DIFFRACTION,2006-05-25,2007-04-03,IRE,6.400000095,Ki,nM,2ITO,1.0,3.25,experimental,10.1016/J.CCR.2006.12.017,Spodoptera frugiperda,Homo sapiens,EPIDERMAL GROWTH FACTOR RECEPTOR,1.0,IRE,Gefitinib,COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F,HSA,446.91
9682,2ITY,X-RAY DIFFRACTION,2006-05-25,2007-04-03,IRE,9.0,IC50,nM,2ITY,1.0,3.42,experimental,10.1016/J.CCR.2006.12.017,Spodoptera frugiperda,Homo sapiens,EPIDERMAL GROWTH FACTOR RECEPTOR,1.0,IRE,Gefitinib,COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F,HSA,446.91
9984,2YJA,X-RAY DIFFRACTION,2011-05-19,2011-08-03,EST,0.3000000119,Ki,nM,2YJA,1.0,1.82,experimental,10.1021/JA202946K,Escherichia coli,Homo sapiens,ESTROGEN RECEPTOR,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
10105,2YLO,X-RAY DIFFRACTION,2011-06-04,2011-07-06,TES,4.699999809,IC50,nM,2YLO,3.0,2.5,experimental,10.1021/JM201098N,Escherichia coli BL21(DE3),Homo sapiens,ANDROGEN RECEPTOR,1.0,TES,TESTOSTERONE,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,HSA,288.43100000000004
10158,3OLL,X-RAY DIFFRACTION,2010-08-26,2010-11-17,EST,0.2099999934,EC50,nM,3OLL,2.0,1.5,experimental,10.1002/cbic.201000532,,Homo sapiens,Nuclear receptor coactivator 1,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
10252,4I22,X-RAY DIFFRACTION,2012-11-21,2013-01-16,IRE,37.0,IC50,nM,4I22,3.0,1.71,experimental,10.1016/j.str.2012.11.014,Spodoptera frugiperda,Homo sapiens,Epidermal growth factor receptor,1.0,IRE,Gefitinib,COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F,HSA,446.91
10391,4I23,X-RAY DIFFRACTION,2012-11-21,2013-01-16,1C9,40.0,EC50,nM,4I23,1.0,2.8,experimental,10.1016/j.str.2012.11.014,Spodoptera frugiperda,Homo sapiens,Epidermal growth factor receptor,1.0,1C9,(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide,COc1cc2c(cc1NC(=O)C=CCN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F,HSA,469.94800000000015
10406,4I24,X-RAY DIFFRACTION,2012-11-21,2013-01-16,1C9,6.900000095,IC50,nM,4I24,2.0,1.8,experimental,10.1016/j.str.2012.11.014,Spodoptera frugiperda,Homo sapiens,Epidermal growth factor receptor,1.0,1C9,(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide,COc1cc2c(cc1NC(=O)C=CCN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F,HSA,469.94800000000015
10420,4U7Z,X-RAY DIFFRACTION,2014-07-31,2014-09-24,3EW,31.0,IC50,nM,4U7Z,3.0,2.805,experimental,10.1016/j.bmcl.2014.08.008,Escherichia coli,Homo sapiens,Dual specificity mitogen-activated protein kinase kinase 1,1.0,3EW,5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide,Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO,HSA,457.6870000000001
10430,4WKQ,X-RAY DIFFRACTION,2014-10-03,2014-11-05,IRE,3.799999952,IC50,nM,4WKQ,3.0,1.85,experimental,,Spodoptera frugiperda,Homo sapiens,Epidermal growth factor receptor,1.0,IRE,Gefitinib,COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F,HSA,446.91
10576,5GTR,X-RAY DIFFRACTION,2016-08-23,2017-08-30,,,,,5GTR,1.0,2.804,experimental,10.1021/acs.jmedchem.7b00732,,unidentified,ARG-IAS-ILE-0JY-DPP-ARG-0JY-0JY-GLN-NH2,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
10578,5MKE,ELECTRON MICROSCOPY,2016-12-04,2017-01-18,,,,,5MKE,36.0,4.3,experimental,10.1038/nsmb.3357,Homo sapiens,Homo sapiens,Polycystin-2,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
10579,5MKE,ELECTRON MICROSCOPY,2016-12-04,2017-01-18,,,,,5MKE,36.0,4.3,experimental,10.1038/nsmb.3357,Homo sapiens,Homo sapiens,Polycystin-2,1.0,CHS,4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTANOIC ACID,C1CCC(CC1)CC(C(CC(=O)O)O)N,HSA,215.29299999999998
10580,5MKE,ELECTRON MICROSCOPY,2016-12-04,2017-01-18,,,,,5MKE,36.0,4.3,experimental,10.1038/nsmb.3357,Homo sapiens,Homo sapiens,Polycystin-2,1.0,PX6,"1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE",CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC,HSA,647.8949999999998
10581,5MKE,ELECTRON MICROSCOPY,2016-12-04,2017-01-18,,,,,5MKE,36.0,4.3,experimental,10.1038/nsmb.3357,Homo sapiens,Homo sapiens,Polycystin-2,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
10583,5MKF,ELECTRON MICROSCOPY,2016-12-04,2017-01-18,,,,,5MKF,41.0,4.2,experimental,10.1038/nsmb.3357,Homo sapiens,Homo sapiens,Polycystin-2,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
10584,5MKF,ELECTRON MICROSCOPY,2016-12-04,2017-01-18,,,,,5MKF,41.0,4.2,experimental,10.1038/nsmb.3357,Homo sapiens,Homo sapiens,Polycystin-2,1.0,PX6,"1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE",CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC,HSA,647.8949999999998
10585,5MKF,ELECTRON MICROSCOPY,2016-12-04,2017-01-18,,,,,5MKF,41.0,4.2,experimental,10.1038/nsmb.3357,Homo sapiens,Homo sapiens,Polycystin-2,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
10586,5MKF,ELECTRON MICROSCOPY,2016-12-04,2017-01-18,,,,,5MKF,41.0,4.2,experimental,10.1038/nsmb.3357,Homo sapiens,Homo sapiens,Polycystin-2,1.0,CHS,4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTANOIC ACID,C1CCC(CC1)CC(C(CC(=O)O)O)N,HSA,215.29299999999998
10588,5WGD,X-RAY DIFFRACTION,2017-07-14,2018-06-13,EST,0.1299999952,EC50,nM,5WGD,2.0,1.8,experimental,10.1039/c8ob00790j,,synthetic construct,(ACE)AILHKLLQDS(NH2),3.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
10709,6GE6,X-RAY DIFFRACTION,2018-04-25,2018-09-19,,,,,6GE6,5.0,1.8,experimental,10.1002/pro.3493,Escherichia coli BL21,Homo sapiens,Transcriptional enhancer factor TEF-3,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
10711,6GEC,X-RAY DIFFRACTION,2018-04-26,2018-09-19,,,,,6GEC,1.0,1.7,experimental,10.1002/pro.3493,Escherichia coli BL21,Homo sapiens,Transcriptional enhancer factor TEF-3,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
10713,6GEI,X-RAY DIFFRACTION,2018-04-26,2018-09-19,,,,,6GEI,2.0,1.65,experimental,10.1002/pro.3493,,Homo sapiens,Transcriptional coactivator YAP1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
10715,6NBH,ELECTRON MICROSCOPY,2018-12-07,2019-04-17,,,,,6NBH,10.0,"3.5, 3.5",experimental,10.1126/science.aav7942,Escherichia coli,synthetic construct,Nanobody-35,6.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
10721,7T6T,ELECTRON MICROSCOPY,2021-12-14,2022-03-30,,,,,7T6T,2.0,3.2,experimental,10.1038/s41467-022-28586-0,Spodoptera,Homo sapiens,Guanine nucleotide-binding protein G(i) subunit alpha-1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
10726,7Y15,ELECTRON MICROSCOPY,2022-06-06,2022-07-20,,,,,7Y15,3.0,2.9,experimental,10.1038/s42003-022-03668-3,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(i) subunit alpha-1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
10731,8A8R,X-RAY DIFFRACTION,2022-06-23,2022-12-28,,,,,8A8R,2.0,1.696,experimental,10.1002/pro.4545,,Homo sapiens,Isoform 7 of Transcriptional coactivator YAP1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
10733,8PNT,ELECTRON MICROSCOPY,2023-07-01,2024-01-17,,,,,8PNT,1.0,3.46,experimental,10.1016/j.celrep.2023.113639,Escherichia coli,Homo sapiens,Phosphorylated adapter RNA export protein,3.0,MGT,7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE,CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,HSA,539.2240000000002
10736,8U8F,ELECTRON MICROSCOPY,2023-09-17,2024-03-06,,,,,8U8F,1.0,3.49,experimental,10.1021/acs.biochem.3c00647,Trichoplusia ni,Homo sapiens,G-protein coupled receptor 3,4.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
10740,8YH2,ELECTRON MICROSCOPY,2024-02-27,2024-11-06,,,,,8YH2,1.0,3.27,experimental,10.1038/s41467-024-53473-1,Homo sapiens,Mus musculus,scfv16,4.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
10744,9DA8,ELECTRON MICROSCOPY,2024-08-21,2025-07-30,,,,,9DA8,12.0,2.94,experimental,,,Sus scrofa,Tubulin beta chain,1.0,GDP,GUANOSINE-5'-DIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,443.20200000000006
10748,9EBH,ELECTRON MICROSCOPY,2024-11-12,2025-08-20,,,,,9EBH,1.0,3.6,experimental,10.1038/s41467-025-62872-x,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(i) subunit alpha-1,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
10753,1A52,X-RAY DIFFRACTION,1998-02-19,1998-09-16,EST,0.1199999973,Ki,nM,1A52,8.0,2.8,experimental,10.1073/pnas.95.11.5998,Escherichia coli,Homo sapiens,ESTROGEN RECEPTOR,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
10874,1H2T,X-RAY DIFFRACTION,2002-08-16,2002-10-17,,,,,1H2T,2.0,2.1,experimental,10.1093/EMBOJ/CDF538,Escherichia coli BL21,Homo sapiens,20 KDA NUCLEAR CAP BINDING PROTEIN,2.0,GDP,GUANOSINE-5'-DIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,443.20200000000006
10876,1M17,X-RAY DIFFRACTION,2002-06-17,2002-09-04,AQ4,7.599999905,IC50,nM,1M17,1.0,2.6,experimental,10.1074/jbc.M207135200,Spodoptera frugiperda,Homo sapiens,epidermal growth factor receptor,1.0,AQ4,"[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE",COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C,HSA,393.44300000000004
10977,1QKU,X-RAY DIFFRACTION,1999-08-05,2000-08-18,EST,0.200000003,Kd,nM,1QKU,3.0,3.2,experimental,10.1074/jbc.M009870200,Escherichia coli BL21,Homo sapiens,ESTRADIOL RECEPTOR,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
11163,3CLD,X-RAY DIFFRACTION,2008-03-18,2008-06-24,GW6,0.400000006,EC50,nM,3CLD,2.0,2.84,experimental,10.1021/jm800279t,,,Tif2 coactivator motif,2.0,GW6,"(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan
drosta-1,4-dien-17-yl furan-2-carboxylate",CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F,HSA,538.5840000000003
11168,3HEC,X-RAY DIFFRACTION,2009-05-08,2009-11-10,STI,100000.0,IC50,nM,3HEC,2.0,2.5,experimental,10.1021/bi100070r,Escherichia coli,Homo sapiens,Mitogen-activated protein kinase 14,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
11173,3OLS,X-RAY DIFFRACTION,2010-08-26,2010-11-17,EST,1.600000024,IC50,nM,3OLS,2.0,2.2,experimental,10.1002/cbic.201000532,,Homo sapiens,Nuclear receptor coactivator 1,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
11267,3UG2,X-RAY DIFFRACTION,2011-11-02,2012-03-07,IRE,6.699999809,IC50,nM,3UG2,2.0,2.5,experimental,10.1038/onc.2012.21,Spodoptera frugiperda,Homo sapiens,Epidermal growth factor receptor,1.0,IRE,Gefitinib,COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F,HSA,446.91
11405,5P9I,X-RAY DIFFRACTION,2016-09-20,2017-05-24,1.00E+08,8.100000381,IC50,nM,5P9I,3.0,1.11,experimental,10.1124/mol.116.107037,Trichoplusia ni,Homo sapiens,Tyrosine-protein kinase BTK,1.0,1.00E+08,"1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one",C=CC(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N,HSA,440.5070000000001
11478,6GEE,X-RAY DIFFRACTION,2018-04-26,2018-09-19,,,,,6GEE,1.0,1.96,experimental,10.1002/pro.3493,,Homo sapiens,Transcriptional coactivator YAP1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
11480,6HIK,X-RAY DIFFRACTION,2018-08-30,2019-04-03,,,,,6HIK,3.0,1.65,experimental,10.1111/febs.14817,Escherichia coli BL21(DE3),Homo sapiens,Transcriptional enhancer factor TEF-3,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
11483,6LX6,X-RAY DIFFRACTION,2020-02-10,2020-11-11,,,,,6LX6,2.0,1.3,experimental,10.1016/j.isci.2020.101727,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor alpha,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
11485,6LX9,X-RAY DIFFRACTION,2020-02-10,2020-11-11,ACD,1200.0,IC50,nM,6LX9,2.0,1.4,experimental,10.1016/j.isci.2020.101727,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor alpha,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
11487,6LXA,X-RAY DIFFRACTION,2020-02-10,2020-11-11,EPA,1100.0,IC50,nM,6LXA,2.0,1.23,experimental,10.1016/j.isci.2020.101727,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor alpha,1.0,EPA,"5,8,11,14,17-EICOSAPENTAENOIC ACID",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,302.458
11488,6M4V,X-RAY DIFFRACTION,2020-03-09,2020-08-26,,,,,6M4V,3.0,2.92,experimental,10.1038/s41592-020-0913-x,Escherichia coli,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP1A,2.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
11490,6NBF,ELECTRON MICROSCOPY,2018-12-07,2019-04-17,,,,,6NBF,10.0,"3, 3",experimental,10.1126/science.aav7942,Escherichia coli,synthetic construct,Nanobody-35,6.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
11505,8JXV,ELECTRON MICROSCOPY,2023-07-01,2024-03-20,VBU,70.19999695,Kd,nM,8JXV,1.0,3.21,experimental,10.1038/s41467-024-46840-5,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(i) subunit alpha-1,1.0,VBU,Clozapine,CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl,HSA,326.831
11510,8PMP,ELECTRON MICROSCOPY,2023-06-29,2024-01-17,,,,,8PMP,1.0,3.43,experimental,10.1016/j.celrep.2023.113639,Trichoplusia ni,Homo sapiens,Serrate RNA effector molecule homolog,3.0,MGT,7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE,CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,HSA,539.2240000000002
11513,8S15,X-RAY DIFFRACTION,2024-02-15,2025-09-03,,,,,8S15,1.0,2.4,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Mast/stem cell growth factor receptor Kit,1.0,XIN,"methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate",CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5,HSA,539.6360000000003
11514,8S16,X-RAY DIFFRACTION,2024-02-15,2025-09-03,,,,,8S16,5.0,1.85,experimental,,Escherichia coli BL21(DE3),Homo sapiens,Mast/stem cell growth factor receptor Kit,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
11516,9L80,ELECTRON MICROSCOPY,2024-12-27,2025-12-31,,,,,9L80,1.0,3.33,experimental,,Trichoplusia ni,Mus musculus,scFv16,6.0,DR7,"(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,
6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER",CC(C)(C)C(C(=O)NC(Cc1ccccc1)C(CN(Cc2ccc(cc2)c3ccccn3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC,HSA,704.8690000000001
11522,1M2Z,X-RAY DIFFRACTION,2002-06-26,2003-07-15,DEX,1.5,Ki,nM,1M2Z,5.0,2.5,experimental,10.1016/S0092-8674(02)00817-6,,,nuclear receptor coactivator 2,2.0,BOG,octyl beta-D-glucopyranoside,CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O,HSA,292.372
11592,1P93,X-RAY DIFFRACTION,2003-05-09,2003-07-08,DEX,4.0,IC50,nM,1P93,4.0,2.7,experimental,10.1074/jbc.M212711200,,,Nuclear receptor coactivator 2,2.0,DEX,DEXAMETHASONE,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,HSA,392.4670000000001
11660,1PCG,X-RAY DIFFRACTION,2003-05-16,2003-10-28,,,,,1PCG,2.0,2.7,experimental,10.1073/pnas.1934759100,,,peptide inhibitor,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
11683,2PIW,X-RAY DIFFRACTION,2007-04-13,2007-09-25,DHT,0.1000000015,EC50,nM,2PIW,3.0,2.58,experimental,10.1073/pnas.0708036104,Escherichia coli,Homo sapiens,Androgen receptor,1.0,DHT,5-ALPHA-DIHYDROTESTOSTERONE,CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C,HSA,290.44699999999995
11727,4HJO,X-RAY DIFFRACTION,2012-10-13,2012-11-14,AQ4,260.0,IC50,nM,4HJO,1.0,2.75,experimental,10.1042/BJ20121513,Spodoptera frugiperda,Homo sapiens,Epidermal growth factor receptor,1.0,AQ4,"[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE",COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C,HSA,393.44300000000004
11821,4HLW,X-RAY DIFFRACTION,2012-10-17,2013-01-23,TES,4.570000172,IC50,nM,4HLW,4.0,2.5,experimental,10.1021/jm3015712,Escherichia coli BL21(DE3),Homo sapiens,Androgen receptor,1.0,TES,TESTOSTERONE,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,HSA,288.43100000000004
11845,4UDC,X-RAY DIFFRACTION,2014-12-09,2015-11-25,DEX,3.5,IC50,nM,4UDC,2.0,2.5,experimental,10.1016/J.STR.2015.09.012,Trichoplusia ni,Homo sapiens,GLUCOCORTICOID RECEPTOR,1.0,CPS,3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE,CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C,HSA,614.8900000000004
11915,6GE3,X-RAY DIFFRACTION,2018-04-25,2018-09-19,,,,,6GE3,2.0,1.85,experimental,10.1002/pro.3493,,Homo sapiens,Transcriptional coactivator YAP1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
11917,6GE4,X-RAY DIFFRACTION,2018-04-25,2018-09-19,,,,,6GE4,1.0,1.97,experimental,10.1002/pro.3493,,Homo sapiens,Transcriptional coactivator YAP1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
11919,6GE5,X-RAY DIFFRACTION,2018-04-25,2018-09-19,,,,,6GE5,1.0,2.05,experimental,10.1002/pro.3493,,Homo sapiens,Transcriptional coactivator YAP1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
11921,6GEG,X-RAY DIFFRACTION,2018-04-26,2018-09-19,,,,,6GEG,1.0,2.23,experimental,10.1002/pro.3493,,Homo sapiens,Transcriptional coactivator YAP1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
11923,6GEK,X-RAY DIFFRACTION,2018-04-26,2018-09-19,,,,,6GEK,2.0,2.28,experimental,10.1002/pro.3493,,Homo sapiens,Transcriptional coactivator YAP1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
11930,6KAX,X-RAY DIFFRACTION,2019-06-24,2020-11-11,,,,,6KAX,2.0,1.23,experimental,10.1016/j.isci.2020.101727,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor alpha,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
11933,7D77,ELECTRON MICROSCOPY,2020-10-03,2021-02-03,,,,,7D77,7.0,2.9,experimental,10.1038/s41586-020-03083-w,Spodoptera frugiperda,synthetic construct,scFv16,5.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
11938,8E5B,ELECTRON MICROSCOPY,2022-08-20,2022-12-07,BBI,1900.0,IC50,nM,8E5B,5.0,3.3,experimental,10.1016/j.cell.2022.10.024,Homo sapiens,Homo sapiens,Voltage-dependent L-type calcium channel subunit beta-3,3.0,BBI,"(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone",CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I,HSA,645.3190000000002
11942,9DYE,ELECTRON MICROSCOPY,2024-10-14,2025-08-13,,,,,9DYE,4.0,2.9,experimental,10.1126/sciadv.adu9851,Spodoptera frugiperda,"Escherichia coli, Homo sapiens","Soluble cytochrome b562,5-hydroxytryptamine receptor 1A",4.0,YLX,Buspirone,c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O,HSA,385.5120000000003
11978,8I0R,ELECTRON MICROSCOPY,2023-01-11,2024-07-31,,,,,8I0R,15.0,3,experimental,10.1038/s41467-024-50785-0,,Homo sapiens,Pre-mRNA-splicing factor SYF1,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
12026,3DPR,X-RAY DIFFRACTION,2008-07-09,2009-04-07,,,,,3DPR,2.0,3.5,experimental,10.1016/j.febslet.2008.12.014,Escherichia coli,Homo sapiens,LDL-receptor class A 3,5.0,DAO,LAURIC ACID,CCCCCCCCCCCC(=O)O,HSA,200.32199999999997
12031,5L7I,X-RAY DIFFRACTION,2016-06-03,2016-07-20,VIS,46.0,IC50,nM,5L7I,6.0,3.3,experimental,10.1038/nature18934,Homo sapiens,"Homo sapiens, Escherichia coli","Smoothened homolog,Soluble cytochrome b562,Smoothened homolog",1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
12052,6HIL,X-RAY DIFFRACTION,2018-08-30,2019-04-03,,,,,6HIL,4.0,2.3,experimental,10.1111/febs.14817,,Homo sapiens,Transcriptional coactivator YAP1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
12054,6L65,X-RAY DIFFRACTION,2019-10-28,2020-11-04,,,,,6L65,2.0,1.8,experimental,,,Homo sapiens,PRO-ARG-LYS-GLN-LEU,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
12056,6PT0,ELECTRON MICROSCOPY,2019-07-14,2020-02-12,WI5,2.900000095,Ki,nM,6PT0,9.0,3.2,experimental,10.1016/j.cell.2020.01.007,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,3.0,WI5,"{(3R)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone",Cc1c(c2cccc3c2n1C(CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6,HSA,426.51600000000013
12107,6QCN,X-RAY DIFFRACTION,2018-12-29,2019-12-25,,,,,6QCN,5.0,2.23,experimental,10.1038/s41598-019-55654-1,Escherichia coli BL21(DE3),Homo sapiens,NAD-dependent protein deacetylase sirtuin-2,1.0,AR6,"[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE",c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N,HSA,559.3180000000002
12108,6QCN,X-RAY DIFFRACTION,2018-12-29,2019-12-25,,,,,6QCN,5.0,2.23,experimental,10.1038/s41598-019-55654-1,Escherichia coli BL21(DE3),Homo sapiens,NAD-dependent protein deacetylase sirtuin-2,1.0,QUE,"3,5,7,3',4'-PENTAHYDROXYFLAVONE",c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,HSA,302.238
12109,7C9W,ELECTRON MICROSCOPY,2020-06-07,2020-07-29,,,,,7C9W,2.0,3.6,experimental,10.1038/s41467-020-18251-9,Homo sapiens,Homo sapiens,Complement decay-accelerating factor,5.0,SPH,SPHINGOSINE,CCCCCCCCCCCCCC=CC(C(CO)N)O,HSA,299.49899999999997
12114,7CFN,ELECTRON MICROSCOPY,2020-06-27,2020-09-09,FX0,166.0,EC50,nM,7CFN,4.0,3,experimental,10.1038/s41586-020-2569-1,Spodoptera frugiperda,Homo sapiens,G-protein coupled bile acid receptor 1,5.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
12130,7KK4,X-RAY DIFFRACTION,2020-10-27,2021-01-06,09L,0.4110000134,IC50,nM,7KK4,2.0,1.96,experimental,10.1074/jbc.RA120.016573,Spodoptera frugiperda,Homo sapiens,Poly [ADP-ribose] polymerase 1,1.0,09L,4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one,c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F,HSA,434.4710000000003
12192,8AK6,X-RAY DIFFRACTION,2022-07-29,2023-08-16,,,,,8AK6,16.0,1.98,experimental,,Escherichia coli,Homo sapiens,NAD-dependent protein deacetylase sirtuin-6,1.0,AR6,"[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE",c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N,HSA,559.3180000000002
12196,8AK6,X-RAY DIFFRACTION,2022-07-29,2023-08-16,,,,,8AK6,16.0,1.98,experimental,,Escherichia coli,Homo sapiens,NAD-dependent protein deacetylase sirtuin-6,1.0,08D,Sulfamethoxazole,Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N,HSA,253.28300000000002
12198,8F7S,ELECTRON MICROSCOPY,2022-11-20,2022-12-14,,,,,8F7S,17.0,3,experimental,10.1016/j.cell.2022.12.026,,Phyllomedusa,deltorphin,2.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
12203,8FHS,ELECTRON MICROSCOPY,2022-12-15,2023-12-13,BBI,1900.0,IC50,nM,8FHS,12.0,3.3,experimental,10.1016/j.cell.2023.10.007,Homo sapiens,Homo sapiens,Voltage-dependent L-type calcium channel subunit beta-3,3.0,WG6,Sofosbuvir,CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)Oc3ccccc3,HSA,529.4580000000002
12215,9LSH,ELECTRON MICROSCOPY,2025-02-04,2025-03-12,,,,,9LSH,7.0,3.8,experimental,10.1016/j.str.2025.03.006,Escherichia coli,Klebsiella pneumoniae,Citrate/sodium symporter,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
12219,9LSJ,ELECTRON MICROSCOPY,2025-02-04,2025-03-12,,,,,9LSJ,6.0,3.1,experimental,10.1016/j.str.2025.03.006,Escherichia coli,Klebsiella pneumoniae,Citrate/sodium symporter,1.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
12223,9OEA,ELECTRON MICROSCOPY,2025-04-28,2025-12-17,,,,,9OEA,1.0,2.84,experimental,10.1038/s41467-025-68226-x,,Homo sapiens,5E12 Light Chain,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
12235,3FXI,X-RAY DIFFRACTION,2009-01-21,2009-03-03,,,,,3FXI,30.0,3.1,experimental,10.1038/nature07830,Trichoplusia ni,Homo sapiens,Toll-like receptor 4,1.0,FTT,3-HYDROXY-TETRADECANOIC ACID,CCCCCCCCCCCC(CC(=O)O)O,HSA,244.37499999999997
12253,7EVO,ELECTRON MICROSCOPY,2021-05-21,2022-08-03,,,,,7EVO,5.0,2.5,experimental,10.1038/s41594-023-01188-0,,Homo sapiens,Splicing factor 3A subunit 2,9.0,9B0,"[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate",CCC(C(C)C1C(O1)CC(C)(C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O,HSA,718.9729999999997
12274,4G8A,X-RAY DIFFRACTION,2012-07-23,2012-10-17,,,,,4G8A,14.0,2.4,experimental,10.1074/jbc.M112.404608,Drosophila,Homo sapiens,Lymphocyte antigen 96,2.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
12292,8I0P,ELECTRON MICROSCOPY,2023-01-11,2024-07-31,,,,,8I0P,6.0,3.4,experimental,10.1038/s41467-024-50785-0,,Homo sapiens,Pre-mRNA-splicing factor SYF1,9.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
12344,4OGR,X-RAY DIFFRACTION,2014-01-16,2014-05-07,,,,,4OGR,9.0,3,experimental,10.7554/eLife.02375,Spodoptera frugiperda,Human immunodeficiency virus type 1 (HXB3 ISOLATE),Protein Tat,4.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
12350,5YU9,X-RAY DIFFRACTION,2017-11-21,2017-12-27,1.00E+08,96.0,IC50,nM,5YU9,7.0,1.95,experimental,10.18632/oncotarget.11951,Spodoptera frugiperda,Homo sapiens,Epidermal growth factor receptor,1.0,1.00E+08,"1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one",C=CC(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N,HSA,440.5070000000001
12384,6QCD,X-RAY DIFFRACTION,2018-12-27,2019-12-25,QUE,1900.0,IC50,nM,6QCD,19.0,1.84,experimental,10.1038/s41598-019-55654-1,Escherichia coli,Homo sapiens,NAD-dependent protein deacetylase sirtuin-6,1.0,AR6,"[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE",c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N,HSA,559.3180000000002
12391,6X3T,ELECTRON MICROSCOPY,2020-05-21,2020-09-09,PFL,44000.0,EC50,nM,6X3T,6.0,2.55,experimental,10.1038/s41586-020-2654-5,Homo sapiens,Homo sapiens,Gamma-aminobutyric acid receptor subunit beta-2,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
12427,7AAD,X-RAY DIFFRACTION,2020-09-04,2021-01-13,09L,18.89999962,IC50,nM,7AAD,5.0,2.21,experimental,10.1093/nar/gkab020,Escherichia coli,Homo sapiens,Poly [ADP-ribose] polymerase 1,1.0,09L,4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one,c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F,HSA,434.4710000000003
12489,7DH5,ELECTRON MICROSCOPY,2020-11-12,2021-08-04,,,,,7DH5,1.0,3.16,experimental,10.1016/j.molcel.2021.06.024,Spodoptera frugiperda,Canis lupus familiaris,Beta-3 adrenergic receptor,5.0,H6U,"2-(2-azanyl-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide",c1ccc(cc1)C(CNCCc2ccc(cc2)NC(=O)Cc3csc(n3)N)O,HSA,396.51600000000013
12494,7E2Z,ELECTRON MICROSCOPY,2021-02-07,2021-04-14,9SC,450.0,EC50,nM,7E2Z,5.0,3.1,experimental,10.1038/s41586-021-03376-8,Spodoptera frugiperda,"Escherichia coli, Homo sapiens","Soluble cytochrome b562,5-hydroxytryptamine receptor 1A",4.0,9SC,"7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one",c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4,HSA,448.3940000000003
12511,7EPT,ELECTRON MICROSCOPY,2021-04-27,2022-05-11,,,,,7EPT,1.0,3,experimental,10.1038/s41586-022-04619-y,Spodoptera frugiperda,Homo sapiens,Adhesion G-protein coupled receptor D1,5.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
12516,7EW4,ELECTRON MICROSCOPY,2021-05-24,2021-09-29,JF9,105.0,EC50,nM,7EW4,3.0,3.2,experimental,10.1038/s41422-021-00567-w,Spodoptera frugiperda,Homo sapiens,scFV16,5.0,JF9,"N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide",c1c(onc1C(=O)N(C2CCCCC2)C3CCCCC3)C4CC4,HSA,316.44500000000005
12521,7F16,ELECTRON MICROSCOPY,2021-06-08,2021-08-18,,,,,7F16,10.0,2.8,experimental,10.1073/pnas.2101279118,Trichoplusia ni,Lama glama,Nanobody-35,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
12532,8BY6,ELECTRON MICROSCOPY,2022-12-12,2024-01-24,,,,,8BY6,1.0,3.19,experimental,10.1016/j.celrep.2023.113639,Escherichia coli,Homo sapiens,Nuclear cap-binding protein subunit 3,3.0,GTG,7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE,C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,HSA,803.445
12535,8FYX,ELECTRON MICROSCOPY,2023-01-26,2024-05-15,YLX,12.0,Ki,nM,8FYX,4.0,2.62,experimental,10.1038/s41586-024-07403-2,Spodoptera frugiperda,Homo sapiens,"Soluble cytochrome b562,5-hydroxytryptamine receptor 1A,5-hydroxytryptamine receptor 1A",4.0,YLX,Buspirone,c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O,HSA,385.5120000000003
12601,8G1U,ELECTRON MICROSCOPY,2023-02-03,2023-08-23,,,,,8G1U,4.0,2.83,experimental,10.1261/rna.079709.123,Trichoplusia ni,Homo sapiens,U7 snRNA-associated Sm-like protein LSm11,4.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
12605,8K8J,ELECTRON MICROSCOPY,2023-07-30,2024-02-14,,,,,8K8J,1.0,2.88,experimental,10.1002/advs.202306311,Escherichia coli,Homo sapiens,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,1.0,J3O,Fenofibrate,CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl,HSA,360.837
12610,8RHB,ELECTRON MICROSCOPY,2023-12-15,2024-11-20,,,,,8RHB,6.0,3,experimental,10.1038/s41467-025-61498-3,Escherichia coli,Homo sapiens,Kif5b Tail,4.0,GDP,GUANOSINE-5'-DIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,443.20200000000006
12615,8W8B,ELECTRON MICROSCOPY,2023-09-01,2023-11-22,UJL,2300.0,EC50,nM,8W8B,7.0,3,experimental,10.1038/s41586-023-06775-1,Spodoptera frugiperda,"Escherichia coli, Homo sapiens","Soluble cytochrome b562,5-hydroxytryptamine receptor 1A",5.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
12620,8XXV,ELECTRON MICROSCOPY,2024-01-19,2024-12-04,,,,,8XXV,2.0,2.33,experimental,10.1073/pnas.2403304121,Trichoplusia ni,Mus musculus,scFv16,5.0,A1D5Q,"[(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{Z})-octadec-9-enoate",CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,837.0819999999993
12625,9OCO,ELECTRON MICROSCOPY,2025-04-24,2025-12-17,,,,,9OCO,1.0,2.95,experimental,10.1038/s41467-025-68226-x,,Homo sapiens,2E1 Light Chain,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
12631,9VG0,X-RAY DIFFRACTION,2025-06-12,2025-09-24,,,,,9VG0,7.0,1.61,experimental,10.1039/d5cb00169b,,Homo sapiens,Histone H3.1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
12634,9VGZ,X-RAY DIFFRACTION,2025-06-15,2025-09-24,,,,,9VGZ,5.0,2.34,experimental,10.1039/d5cb00169b,,Homo sapiens,Histone H3.1,2.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
12639,9VH0,X-RAY DIFFRACTION,2025-06-16,2025-09-24,,,,,9VH0,6.0,2.41,experimental,10.1039/d5cb00169b,,Homo sapiens,Histone H3.1,2.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
12642,1ERE,X-RAY DIFFRACTION,1997-09-08,1998-09-16,EST,4.0,IC50,nM,1ERE,6.0,3.1,experimental,10.1038/39645,Escherichia coli,Homo sapiens,ESTROGEN RECEPTOR,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
12763,2J7X,X-RAY DIFFRACTION,2006-10-17,2006-11-07,EST,7.900000095,Kd,nM,2J7X,7.0,2.1,experimental,,,Homo sapiens,NUCLEAR RECEPTOR COACTIVATOR 5,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
12859,5DS3,X-RAY DIFFRACTION,2015-09-16,2016-07-27,09L,3.599999905,EC50,nM,5DS3,4.0,2.6,experimental,10.1016/j.molcel.2015.10.013,Escherichia coli,Homo sapiens,Poly [ADP-ribose] polymerase 1,1.0,1PE,PENTAETHYLENE GLYCOL,C(COCCOCCOCCOCCO)O,HSA,238.27999999999994
12921,6MZQ,X-RAY DIFFRACTION,2018-11-05,2019-01-16,TZ0,2.200000048,IC50,nM,6MZQ,2.0,2,experimental,10.1002/cmdc.201800719,Escherichia coli BL21(DE3),Homo sapiens,Fibroblast growth factor receptor 1,1.0,TZ0,"1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one",COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N,HSA,418.4570000000002
12933,6MZW,X-RAY DIFFRACTION,2018-11-05,2019-01-16,TZ0,1.0,IC50,nM,6MZW,3.0,2.2,experimental,10.1002/cmdc.201800719,Escherichia coli,Homo sapiens,Fibroblast growth factor receptor 1,1.0,TZ0,"1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one",COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N,HSA,418.4570000000002
12945,7E2X,ELECTRON MICROSCOPY,2021-02-07,2021-04-14,,,,,7E2X,14.0,3,experimental,10.1038/s41586-021-03376-8,Spodoptera frugiperda,"Escherichia coli, Homo sapiens","Soluble cytochrome b562,5-hydroxytryptamine receptor 1A",4.0,J40,"[(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate",CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CC,HSA,854.905
12949,7EW3,ELECTRON MICROSCOPY,2021-05-24,2021-09-29,S1P,2.400000095,EC50,nM,7EW3,5.0,3.1,experimental,10.1038/s41422-021-00567-w,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(i) subunit alpha-1,1.0,S1P,"(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate",CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O,HSA,379.478
12964,7VFX,ELECTRON MICROSCOPY,2021-09-14,2022-09-21,,,,,7VFX,4.0,2.8,experimental,10.1038/s41467-022-32822-y,Spodoptera frugiperda,Homo sapiens,fMet-Leu-Phe receptor,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
12970,8AKA,X-RAY DIFFRACTION,2022-07-29,2023-08-16,,,,,8AKA,28.0,1.77,experimental,,Escherichia coli,Homo sapiens,NAD-dependent protein deacetylase sirtuin-6,1.0,AR6,"[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE",c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N,HSA,559.3180000000002
12972,8AKA,X-RAY DIFFRACTION,2022-07-29,2023-08-16,,,,,8AKA,28.0,1.77,experimental,,Escherichia coli,Homo sapiens,NAD-dependent protein deacetylase sirtuin-6,1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
12977,8AKA,X-RAY DIFFRACTION,2022-07-29,2023-08-16,,,,,8AKA,28.0,1.77,experimental,,Escherichia coli,Homo sapiens,NAD-dependent protein deacetylase sirtuin-6,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
12978,8CNO,X-RAY DIFFRACTION,2023-02-23,2024-03-06,,,,,8CNO,26.0,1.75,experimental,,Escherichia coli BL21(DE3),Homo sapiens,NAD-dependent protein deacetylase sirtuin-6,1.0,AR6,"[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE",c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N,HSA,559.3180000000002
12980,8CNO,X-RAY DIFFRACTION,2023-02-23,2024-03-06,,,,,8CNO,26.0,1.75,experimental,,Escherichia coli BL21(DE3),Homo sapiens,NAD-dependent protein deacetylase sirtuin-6,1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
12981,8CNO,X-RAY DIFFRACTION,2023-02-23,2024-03-06,,,,,8CNO,26.0,1.75,experimental,,Escherichia coli BL21(DE3),Homo sapiens,NAD-dependent protein deacetylase sirtuin-6,1.0,PG4,TETRAETHYLENE GLYCOL,C(COCCOCCOCCO)O,HSA,194.22699999999998
12986,8CNO,X-RAY DIFFRACTION,2023-02-23,2024-03-06,,,,,8CNO,26.0,1.75,experimental,,Escherichia coli BL21(DE3),Homo sapiens,NAD-dependent protein deacetylase sirtuin-6,1.0,PGE,TRIETHYLENE GLYCOL,C(COCCOCCO)O,HSA,150.174
12987,8JT6,ELECTRON MICROSCOPY,2023-06-21,2024-02-28,,,,,8JT6,9.0,3,experimental,10.1016/j.cell.2024.02.034,Trichoplusia ni,"Escherichia coli, Homo sapiens","Soluble cytochrome b562,5-hydroxytryptamine receptor 1A",5.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
12994,8WW2,ELECTRON MICROSCOPY,2023-10-24,2024-02-14,,,,,8WW2,3.0,2.79,experimental,10.1038/s41422-024-00932-5,Spodoptera frugiperda,Homo sapiens,G-protein coupled receptor 3,5.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
12999,9LSI,ELECTRON MICROSCOPY,2025-02-04,2025-03-12,,,,,9LSI,7.0,3.3,experimental,10.1016/j.str.2025.03.006,Trichoplusia ni,synthetic construct,Diabody (CitS VH-TLR3 VL),2.0,CIT,CITRIC ACID,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,HSA,192.12300000000002
13003,9OD3,ELECTRON MICROSCOPY,2025-04-25,2025-12-17,,,,,9OD3,1.0,2.94,experimental,10.1038/s41467-025-68226-x,,Homo sapiens,6B5 Light Chain,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13012,4PP6,X-RAY DIFFRACTION,2014-02-26,2014-05-07,,,,,4PP6,2.0,2.201,experimental,10.7554/eLife.02057,,Homo sapiens,Nuclear receptor coactivator 2,2.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
13014,6MCZ,X-RAY DIFFRACTION,2018-09-03,2019-01-09,ACD,1600.0,IC50,nM,6MCZ,2.0,2.1,experimental,10.7554/eLife.43320,Escherichia coli BL21(DE3),Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,ACD,ARACHIDONIC ACID,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,304.47400000000005
13015,7KK5,X-RAY DIFFRACTION,2020-10-27,2021-01-06,3JD,31000.0,EC50,nM,7KK5,23.0,1.7,experimental,10.1074/jbc.RA120.016573,Spodoptera frugiperda,Homo sapiens,Poly [ADP-ribose] polymerase 1,1.0,3JD,2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide,c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)C4CCCNC4,HSA,320.39600000000013
13031,7T6U,ELECTRON MICROSCOPY,2021-12-14,2022-03-30,,,,,7T6U,2.0,2.9,experimental,10.1038/s41467-022-28586-0,Spodoptera,Homo sapiens,Guanine nucleotide-binding protein G(i) subunit alpha-1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13037,8E8R,ELECTRON MICROSCOPY,2022-08-25,2023-06-21,,,,,8E8R,1.0,2.66,experimental,10.1038/s41467-023-41052-9,Homo sapiens,Homo sapiens,9H2 Fab light chain,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13043,8ID9,ELECTRON MICROSCOPY,2023-02-12,2023-03-15,,,,,8ID9,1.0,3,experimental,10.1126/science.add6220,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,1.0,EPA,"5,8,11,14,17-EICOSAPENTAENOIC ACID",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,302.458
13048,8W38,X-RAY DIFFRACTION,2024-02-22,2025-01-01,,,,,8W38,11.0,2.6,experimental,10.1016/j.annonc.2024.12.011,Escherichia coli,Homo sapiens,Fibroblast growth factor receptor 2,1.0,TZ0,"1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one",COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N,HSA,418.4570000000002
13050,9E3M,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3M,43.0,2.48,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,GDP,GUANOSINE-5'-DIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,443.20200000000006
13052,9E3M,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3M,43.0,2.48,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
13053,9E3M,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3M,43.0,2.48,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,Y01,CHOLESTEROL HEMISUCCINATE,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C,HSA,486.73700000000036
13054,9E3M,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3M,43.0,2.48,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13056,9E3N,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3N,39.0,2.95,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
13057,9E3N,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3N,39.0,2.95,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,GDP,GUANOSINE-5'-DIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,443.20200000000006
13059,9E3N,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3N,39.0,2.95,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13060,9E3N,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3N,39.0,2.95,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
13061,9PXV,ELECTRON MICROSCOPY,2025-08-06,2025-11-12,,,,,9PXV,3.0,3.02,experimental,10.1038/s41586-025-09677-6,Spodoptera frugiperda,Homo sapiens,"Soluble cytochrome b562,Mu-type opioid receptor",5.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
13066,9PXW,ELECTRON MICROSCOPY,2025-08-06,2025-11-12,,,,,9PXW,2.0,3.8,experimental,10.1038/s41586-025-09677-6,Spodoptera frugiperda,Homo sapiens,"Soluble cytochrome b562,Mu-type opioid receptor",4.0,VSN,5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,HSA,459.27000000000004
13070,9PXY,ELECTRON MICROSCOPY,2025-08-06,2025-11-12,,,,,9PXY,4.0,3,experimental,10.1038/s41586-025-09677-6,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2,4.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
13074,3HM1,X-RAY DIFFRACTION,2009-05-28,2010-06-02,,,,,3HM1,2.0,2.33,experimental,,,Rattus norvegicus,Nuclear receptor coactivator 2,2.0,J3Z,"(9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one",CC12CCC3c4ccc(cc4CCC3C1CCC2=O)O,HSA,270.3719999999999
13076,4R6E,X-RAY DIFFRACTION,2014-08-25,2015-09-09,3JD,30.0,IC50,nM,4R6E,11.0,2.2,experimental,10.1021/acs.jmedchem.6b00990,Escherichia coli BL21(DE3),Homo sapiens,Poly [ADP-ribose] polymerase 1,1.0,3JD,2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide,c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)C4CCCNC4,HSA,320.39600000000013
13092,5HA9,X-RAY DIFFRACTION,2015-12-30,2016-03-09,,,,,5HA9,9.0,4.01,experimental,10.1038/s41598-016-0007-2,Escherichia coli K-12,Homo sapiens,Poly [ADP-ribose] polymerase 1,1.0,TP0,Amitriptyline,CN(C)CCC=C1c2ccccc2CCc3c1cccc3,HSA,277.41099999999994
13111,7T6V,ELECTRON MICROSCOPY,2021-12-14,2022-03-30,,,,,7T6V,1.0,3.1,experimental,10.1038/s41467-022-28586-0,Spodoptera,Homo sapiens,N-formyl peptide receptor 2,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13117,7XT9,ELECTRON MICROSCOPY,2022-05-16,2022-07-27,SRO,1049.0,Ki,nM,7XT9,7.0,3.2,experimental,10.1016/j.molcel.2022.05.031,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
13156,8E8S,ELECTRON MICROSCOPY,2022-08-25,2023-06-21,,,,,8E8S,1.0,2.73,experimental,10.1038/s41467-023-41052-9,Homo sapiens,Homo sapiens,9H2 Fab light chain,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13162,8EF5,ELECTRON MICROSCOPY,2022-09-08,2022-11-09,7V7,0.05099999905,Ki,nM,8EF5,12.0,3.3,experimental,10.1016/j.cell.2022.09.041,Escherichia coli,synthetic construct,scFv16,5.0,7V7,N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide,CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3,HSA,336.479
13199,8EF6,ELECTRON MICROSCOPY,2022-09-08,2022-11-09,MOI,1.600000024,IC50,nM,8EF6,12.0,3.2,experimental,10.1016/j.cell.2022.09.041,Spodoptera frugiperda,Homo sapiens,Mu-type opioid receptor,1.0,MOI,"(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL",CN1CCC23c4c5ccc(c4OC2C(C=CC3C1C5)O)O,HSA,285.34299999999996
13351,9E3O,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3O,48.0,2.76,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,A1BD8,"(3s,5s,7s)-N'-(2-chlorophenyl)adamantane-1-carbohydrazide",c1ccc(c(c1)NNC(=O)C23CC4CC(C2)CC(C4)C3)Cl,HSA,304.8209999999999
13352,9E3O,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3O,48.0,2.76,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,GDP,GUANOSINE-5'-DIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,443.20200000000006
13354,9E3O,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3O,48.0,2.76,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
13355,9E3O,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3O,48.0,2.76,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,Y01,CHOLESTEROL HEMISUCCINATE,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C,HSA,486.73700000000036
13356,9E3O,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3O,48.0,2.76,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13357,9VEW,X-RAY DIFFRACTION,2025-06-10,2025-09-24,,,,,9VEW,6.0,2.68,experimental,10.1039/d5cb00169b,,Homo sapiens,Histone H3.1,2.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
13362,2Z7X,X-RAY DIFFRACTION,2007-08-29,2007-10-02,,,,,2Z7X,6.0,2.1,experimental,10.1016/j.cell.2007.09.008,,synthetic construct,Pam3CSK4,3.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
13365,3EPD,ELECTRON MICROSCOPY,2008-09-29,2008-11-11,,,,,3EPD,2.0,9,experimental,10.1073/pnas.0807848105,Escherichia coli,Poliovirus 3,protein VP3,6.0,SPH,SPHINGOSINE,CCCCCCCCCCCCCC=CC(C(CO)N)O,HSA,299.49899999999997
13371,3FC6,X-RAY DIFFRACTION,2008-11-21,2009-02-10,LX2,14.0,EC50,nM,3FC6,4.0,2.063,experimental,10.1016/j.bmcl.2009.01.004,,Mus musculus,Nr1h3 protein,2.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
13375,4ZO1,X-RAY DIFFRACTION,2015-05-05,2015-09-02,T3,0.6800000072,Ki,nM,4ZO1,1.0,3.221,experimental,10.1038/ncomms9013,,Homo sapiens,Retinoic acid receptor RXR-alpha,3.0,T3,"3,5,3'TRIIODOTHYRONINE",c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O,HSA,650.9760000000001
13397,6MD2,X-RAY DIFFRACTION,2018-09-03,2019-01-09,GW9,2.0,EC50,nM,6MD2,4.0,2.2,experimental,10.7554/eLife.43320,Escherichia coli BL21(DE3),Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,GW9,2-chloro-5-nitro-N-phenylbenzamide,c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-],HSA,276.67900000000003
13399,7W17,ELECTRON MICROSCOPY,2021-11-19,2022-01-19,,,,,7W17,1.0,2.5,experimental,10.1073/pnas.2118590119,Homo sapiens,Homo sapiens,VP4,4.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13403,7XT8,ELECTRON MICROSCOPY,2022-05-16,2022-07-27,SRO,330.0,Ki,nM,7XT8,8.0,3.1,experimental,10.1016/j.molcel.2022.05.031,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
13442,8E8X,ELECTRON MICROSCOPY,2022-08-26,2023-06-21,,,,,8E8X,1.0,2.91,experimental,10.1038/s41467-023-41052-9,Homo sapiens,Homo sapiens,9H2 Fab light chain,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13448,8HA0,ELECTRON MICROSCOPY,2022-10-26,2022-12-21,,,,,8HA0,7.0,2.62,experimental,10.1038/s41401-022-01032-z,Trichoplusia ni,Homo sapiens,Parathyroid hormone/parathyroid hormone-related peptide receptor,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13454,8W3B,X-RAY DIFFRACTION,2024-02-22,2025-01-01,,,,,8W3B,7.0,2.23,experimental,10.1016/j.annonc.2024.12.011,Escherichia coli,Homo sapiens,Fibroblast growth factor receptor 2,1.0,TZ0,"1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one",COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N,HSA,418.4570000000002
13456,9E3P,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3P,46.0,2.53,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,A1BD9,"(1s,3R,4R,6r,8S,9S)-N'-(2-chlorophenyl)-3,4,8,9-tetramethyltetracyclo[4.4.0.0~3,9~.0~4,8~]decane-1-carbohydrazide",CC12CC3CC1(C4(C2(CC3(C4)C(=O)NNc5ccccc5Cl)C)C)C,HSA,358.91300000000007
13457,9E3P,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3P,46.0,2.53,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,GDP,GUANOSINE-5'-DIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,443.20200000000006
13459,9E3P,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3P,46.0,2.53,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
13460,9E3P,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3P,46.0,2.53,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,Y01,CHOLESTEROL HEMISUCCINATE,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C,HSA,486.73700000000036
13461,9E3P,ELECTRON MICROSCOPY,2024-10-23,2025-09-24,,,,,9E3P,46.0,2.53,experimental,10.1038/s41467-025-62643-8,Homo sapiens,Homo sapiens,P2X purinoceptor 7,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
13463,9PXX,ELECTRON MICROSCOPY,2025-08-06,2025-11-12,,,,,9PXX,4.0,3.1,experimental,10.1038/s41586-025-09677-6,Spodoptera frugiperda,Homo sapiens,"Soluble cytochrome b562,Mu-type opioid receptor",4.0,VSN,5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,HSA,459.27000000000004
13467,9VEM,X-RAY DIFFRACTION,2025-06-09,2025-09-24,,,,,9VEM,11.0,2.57,experimental,10.1039/d5cb00169b,,Homo sapiens,Histone H3.1,2.0,NAD,NICOTINAMIDE-ADENINE-DINUCLEOTIDE,c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,HSA,663.4300000000002
13473,5Z56,ELECTRON MICROSCOPY,2018-01-17,2018-09-19,,,,,5Z56,21.0,5.1,experimental,10.1038/cr.2018.14,,Homo sapiens,U5 snRNA,2.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
13522,5Z57,ELECTRON MICROSCOPY,2018-01-17,2018-09-19,,,,,5Z57,19.0,6.5,experimental,10.1038/cr.2018.14,,Homo sapiens,Small nuclear ribonucleoprotein Sm D2,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
13572,1C5N,X-RAY DIFFRACTION,1999-12-22,2000-12-22,ESI,20000.0,Ki,nM,1C5N,3.0,1.5,experimental,10.1016/S1074-5521(00)00104-6,,Hirudo medicinalis,Hirudin,3.0,ESI,4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE,c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I,HSA,303.14799999999997
13596,3FAL,X-RAY DIFFRACTION,2008-11-17,2009-04-14,LO2,165.0,IC50,nM,3FAL,4.0,2.36,experimental,10.1021/jm800612u,Escherichia coli,Mus musculus,Oxysterols receptor LXR-alpha,2.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
13603,4JAZ,X-RAY DIFFRACTION,2013-02-19,2014-02-12,STL,77100.0,EC50,nM,4JAZ,1.0,2.85,experimental,10.1002/cbic.201300754,Escherichia coli BL21(DE3),Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,STL,RESVERATROL,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,HSA,228.24699999999999
13675,5DXG,X-RAY DIFFRACTION,2015-09-23,2016-07-27,EST,5.699999809,EC50,nM,5DXG,4.0,1.86,experimental,10.1002/anie.201510557,,Homo sapiens,Stapled Peptide SRC2-P5,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
13796,5HYR,X-RAY DIFFRACTION,2016-02-01,2016-05-25,EST,1.899999976,IC50,nM,5HYR,4.0,2.271,experimental,10.1002/anie.201510557,,synthetic construct,Stapled Peptide SRC2-SP2,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
13917,5LGD,X-RAY DIFFRACTION,2016-07-06,2016-08-31,,,,,5LGD,17.0,2.07,experimental,10.1038/ncomms12837,Homo sapiens,Homo sapiens,Platelet glycoprotein 4,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
13921,6MD4,X-RAY DIFFRACTION,2018-09-03,2019-01-09,BRL,26.0,EC50,nM,6MD4,2.0,2.24,experimental,10.7554/eLife.43320,Escherichia coli BL21(DE3),Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,BRL,"2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)",CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3,HSA,357.435
13993,6PAV,X-RAY DIFFRACTION,2019-06-12,2020-03-11,,,,,6PAV,8.0,2.52,experimental,10.1038/s41467-020-14893-x,,Homo sapiens,ARF6 peptide,3.0,COA,COENZYME A,CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O,HSA,767.5410000000002
13996,7AWC,X-RAY DIFFRACTION,2020-11-06,2020-11-25,BRL,14.0,EC50,nM,7AWC,6.0,1.74,experimental,10.1016/j.chembiol.2021.04.019,Escherichia coli BL21(DE3),Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,BRL,"2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)",CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3,HSA,357.435
14067,7NEL,X-RAY DIFFRACTION,2021-02-04,2021-08-25,,,,,7NEL,23.0,1.45,experimental,10.1038/s41598-021-89785-1,,Homo sapiens,Nuclear receptor coactivator 2,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
14072,8F7W,ELECTRON MICROSCOPY,2022-11-20,2022-12-14,,,,,8F7W,5.0,3.19,experimental,10.1016/j.cell.2022.12.026,Escherichia coli,synthetic construct,scFv16,6.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
14078,8W3D,X-RAY DIFFRACTION,2024-02-22,2025-01-01,,,,,8W3D,17.0,2.04,experimental,10.1016/j.annonc.2024.12.011,Escherichia coli,Homo sapiens,Fibroblast growth factor receptor 2,1.0,TZ0,"1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one",COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN(C4)C(=O)C=C)N,HSA,418.4570000000002
14087,1GWR,X-RAY DIFFRACTION,2002-03-22,2002-08-29,,,,,1GWR,2.0,2.4,experimental,10.1074/JBC.M200764200,,Homo sapiens,TRANSCRIPTION INTERMEDIARY FACTOR-2,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
14089,2ACL,X-RAY DIFFRACTION,2005-07-19,2005-09-20,L05,50.0,EC50,nM,2ACL,8.0,2.8,experimental,10.1021/jm050532w,Escherichia coli,Mus musculus,Oxysterols receptor LXR-alpha,2.0,REA,RETINOIC ACID,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
14093,3ADS,X-RAY DIFFRACTION,2010-01-29,2010-12-22,IMN,50000.0,EC50,nM,3ADS,3.0,2.25,experimental,10.1038/emboj.2010.197,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,IMN,INDOMETHACIN,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,HSA,357.7930000000001
14094,3ADX,X-RAY DIFFRACTION,2010-01-29,2010-12-22,IMN,50000.0,EC50,nM,3ADX,3.0,1.95,experimental,10.1038/emboj.2010.197,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,NRO,3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid,CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)[N+](=O)[O-],HSA,301.298
14095,3ADX,X-RAY DIFFRACTION,2010-01-29,2010-12-22,IMN,50000.0,EC50,nM,3ADX,3.0,1.95,experimental,10.1038/emboj.2010.197,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,IMN,INDOMETHACIN,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,HSA,357.7930000000001
14096,4EMA,X-RAY DIFFRACTION,2012-04-11,2013-03-06,BRL,88.0,IC50,nM,4EMA,1.0,2.545,experimental,10.1371/journal.pone.0036297,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,BRL,"2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)",CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3,HSA,357.435
14167,4XUM,X-RAY DIFFRACTION,2015-01-26,2015-11-04,IMN,50000.0,EC50,nM,4XUM,3.0,2.4,experimental,10.1621/nrs.13004,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,IMN,INDOMETHACIN,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,HSA,357.7930000000001
14168,5DXE,X-RAY DIFFRACTION,2015-09-23,2016-08-03,EST,0.1800000072,EC50,nM,5DXE,2.0,1.5,experimental,10.1002/anie.201510557,Escherichia coli,Homo sapiens,Estrogen receptor,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
14289,8HDP,ELECTRON MICROSCOPY,2022-11-05,2023-01-18,ADN,5.0,Ki,nM,8HDP,5.0,3.2,experimental,10.1038/s41421-022-00503-1,Spodoptera frugiperda,Homo sapiens,Adenosine A2b receptor,5.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
14304,9V8H,X-RAY DIFFRACTION,2025-05-29,2025-11-05,,,,,9V8H,3.0,1.39,experimental,10.1021/jacs.5c13803,,synthetic construct,PG08-NL,2.0,BRL,"2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)",CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3,HSA,357.435
14313,2Q7L,X-RAY DIFFRACTION,2007-06-07,2007-07-24,TES,0.400000006,Kd,nM,2Q7L,2.0,1.92,experimental,10.1074/jbc.M703268200,Escherichia coli,Homo sapiens,Nuclear receptor coactivator 2,2.0,TES,TESTOSTERONE,CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C,HSA,288.43100000000004
14334,3SZ1,X-RAY DIFFRACTION,2011-07-18,2012-03-21,LU2,2300.0,EC50,nM,3SZ1,4.0,2.3,experimental,10.1124/mol.111.076216,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,KNA,nonanoic acid,CCCCCCCCC(=O)O,HSA,158.241
14337,4O8F,X-RAY DIFFRACTION,2013-12-27,2014-07-23,BRL,20.0,EC50,nM,4O8F,2.0,2.6,experimental,10.1107/S1399004714009638,Escherichia coli BL21,Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,BRL,"2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)",CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3,HSA,357.435
14408,4OJ4,X-RAY DIFFRACTION,2014-01-20,2015-02-04,,,,,4OJ4,3.0,2.3,experimental,,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,DIF,"2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID",c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,HSA,296.153
14410,4PXM,X-RAY DIFFRACTION,2014-03-24,2015-04-08,EST,1.899999976,IC50,nM,4PXM,2.0,1.9,experimental,10.7554/eLife.12792,,Homo sapiens,Nuclear receptor coactivator 2,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
14531,4XTA,X-RAY DIFFRACTION,2015-01-23,2015-11-11,,,,,4XTA,2.0,2.5,experimental,10.1621/nrs.13004,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor gamma,1.0,DIF,"2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID",c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,HSA,296.153
14602,5WGQ,X-RAY DIFFRACTION,2017-07-14,2018-06-13,EST,0.5799999833,IC50,nM,5WGQ,2.0,2.3,experimental,10.1039/c8ob00790j,,synthetic construct,SRC2-BCP1,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
14723,6OMM,ELECTRON MICROSCOPY,2019-04-19,2020-02-26,,,,,6OMM,8.0,3.17,experimental,10.1038/s41467-020-14728-9,Spodoptera frugiperda,Homo sapiens,N-formyl peptide receptor 2,1.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
14734,7EVZ,ELECTRON MICROSCOPY,2021-05-24,2021-09-29,,,,,7EVZ,5.0,3.07,experimental,10.1038/s41422-021-00566-x,Spodoptera frugiperda,Homo sapiens,scFv16,5.0,JER,"(2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol",CCc1cc(cc(c1OCC(CO)O)C)c2nc(on2)c3cc(nc(c3)OC)C4CCCC4,HSA,453.53900000000027
14739,7XW6,ELECTRON MICROSCOPY,2022-05-26,2022-08-17,,,,,7XW6,27.0,2.78,experimental,10.1038/s41586-022-05173-3,Spodoptera frugiperda,Homo sapiens,M22 antibody heavy chain,7.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
14746,8SG1,ELECTRON MICROSCOPY,2023-04-11,2023-11-01,,,,,8SG1,3.0,2.94,experimental,10.1371/journal.pbio.3002188,Spodoptera frugiperda,Mus musculus,scFv16,6.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
14752,9FAX,ELECTRON MICROSCOPY,2024-05-10,2025-07-02,,,,,9FAX,38.0,2.9,experimental,,Escherichia coli,Lama glama,Megabody25,5.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
14760,5Z58,ELECTRON MICROSCOPY,2018-01-17,2018-09-19,,,,,5Z58,12.0,4.9,experimental,10.1038/cr.2018.14,,Homo sapiens,Small nuclear ribonucleoprotein Sm D1,8.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
14799,8I0V,ELECTRON MICROSCOPY,2023-01-11,2024-07-31,,,,,8I0V,15.0,3,experimental,10.1038/s41467-024-50785-0,,Homo sapiens,Crooked neck-like protein 1,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
14840,3EPC,ELECTRON MICROSCOPY,2008-09-29,2008-11-11,,,,,3EPC,2.0,8,experimental,10.1073/pnas.0807848105,Escherichia coli,Human poliovirus 1 Mahoney,Protein VP3,5.0,SPH,SPHINGOSINE,CCCCCCCCCCCCCC=CC(C(CO)N)O,HSA,299.49899999999997
14845,5VCJ,X-RAY DIFFRACTION,2017-03-31,2018-04-04,,,,,5VCJ,4.0,3.16,experimental,10.1039/c8ob02982b,Escherichia coli BL21(DE3),"Mus musculus, Homo sapiens","Chimeric TCR Vbeta8.2 chain (mouse variable domain, human constant domain)",4.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
14849,6CM4,X-RAY DIFFRACTION,2018-03-02,2018-03-14,,,,,6CM4,7.0,2.867,experimental,10.1038/nature25758,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","D(2) dopamine receptor, endolysin chimera",1.0,8NU,"3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one",CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F,HSA,410.49300000000017
14851,6CM4,X-RAY DIFFRACTION,2018-03-02,2018-03-14,,,,,6CM4,7.0,2.867,experimental,10.1038/nature25758,Spodoptera frugiperda,"Homo sapiens, Tequatrovirus T4","D(2) dopamine receptor, endolysin chimera",1.0,OLA,OLEIC ACID,CCCCCCCCC=CCCCCCCCC(=O)O,HSA,282.4679999999999
14852,6CW6,X-RAY DIFFRACTION,2018-03-29,2019-04-03,,,,,6CW6,4.0,2.85,experimental,10.1074/jbc.RA119.009963,Spodoptera frugiperda,"Mus musculus, Homo sapiens",Chimeric T cell antigen receptor beta chain Vb8.2,4.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
14856,9FAM,ELECTRON MICROSCOPY,2024-05-10,2025-07-02,,,,,9FAM,19.0,3.5,experimental,,Escherichia coli,Lama glama,Megabody38,6.0,PGW,"(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl
(9Z)-octadec-9-enoate",CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,HSA,749.0199999999993
14942,7ABI,ELECTRON MICROSCOPY,2020-09-07,2021-02-10,,,,,7ABI,3.0,8,experimental,10.1126/science.abc3753,,Homo sapiens,Smad nuclear-interacting protein 1,16.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
15012,3EPF,ELECTRON MICROSCOPY,2008-09-29,2008-11-11,,,,,3EPF,2.0,9,experimental,10.1073/pnas.0807848105,Escherichia coli,Poliovirus type 2 strain Lansing,Protein VP3,5.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
15017,7BQ4,X-RAY DIFFRACTION,2020-03-23,2020-11-11,EPA,1100.0,IC50,nM,7BQ4,2.0,1.62,experimental,10.1016/j.isci.2020.101727,,Homo sapiens,15-meric peptide from Nuclear receptor coactivator 1,2.0,EPA,"5,8,11,14,17-EICOSAPENTAENOIC ACID",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,HSA,302.458
15019,7TYN,ELECTRON MICROSCOPY,2022-02-13,2022-03-30,,,,,7TYN,17.0,2.6,experimental,10.1126/science.abm9609,,Salmo salar,Calcitonin-1,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
15025,8HK5,ELECTRON MICROSCOPY,2022-11-24,2023-05-10,,,,,8HK5,2.0,3,experimental,10.1038/s41589-023-01339-w,Spodoptera frugiperda,Bos taurus,Guanine nucleotide-binding protein subunit gamma,5.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
15041,9FAT,ELECTRON MICROSCOPY,2024-05-10,2025-07-02,,,,,9FAT,18.0,3.6,experimental,,Homo sapiens,Homo sapiens,LHFPL tetraspan subfamily member 4 protein,6.0,A8W,Pregnenolone sulfate,CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C,HSA,396.54900000000015
15051,8I0U,ELECTRON MICROSCOPY,2023-01-11,2024-07-31,,,,,8I0U,16.0,3.3,experimental,10.1038/s41467-024-50785-0,,Homo sapiens,Crooked neck-like protein 1,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
15094,1XBB,X-RAY DIFFRACTION,2004-08-30,2004-11-02,STI,5000.0,IC50,nM,1XBB,1.0,1.57,experimental,10.1074/jbc.M409792200,Spodoptera frugiperda,Homo sapiens,Tyrosine-protein kinase SYK,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
15098,2OCF,X-RAY DIFFRACTION,2006-12-20,2007-11-06,EST,0.0083999997,EC50,nM,2OCF,1.0,2.95,experimental,10.1073/pnas.032665299,Escherichia coli,Homo sapiens,Fibronectin,2.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
15219,6VN7,ELECTRON MICROSCOPY,2020-01-29,2020-09-02,,,,,6VN7,10.0,3.2,experimental,10.1038/s41467-020-17933-8,Escherichia coli,synthetic construct,Nanobody 35,6.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
15225,7BQ1,X-RAY DIFFRACTION,2020-03-23,2020-11-11,,,,,7BQ1,2.0,1.521,experimental,10.1016/j.isci.2020.101727,,Homo sapiens,15-meric peptide from Nuclear receptor coactivator 1,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
15233,9IWN,X-RAY DIFFRACTION,2024-07-25,2025-05-07,,,,,9IWN,2.0,1.59,experimental,10.3390/antiox14040494,Escherichia coli,Homo sapiens,Peroxisome proliferator-activated receptor alpha,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
15235,8I0S,ELECTRON MICROSCOPY,2023-01-11,2024-07-31,,,,,8I0S,16.0,4.2,experimental,10.1038/s41467-024-50785-0,,Homo sapiens,Pre-mRNA-splicing factor SYF1,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
15278,8I0T,ELECTRON MICROSCOPY,2023-01-11,2024-07-31,,,,,8I0T,16.0,3,experimental,10.1038/s41467-024-50785-0,,Homo sapiens,Pre-mRNA-splicing factor SYF1,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
15324,3FUP,X-RAY DIFFRACTION,2009-01-14,2009-02-10,MI1,12.0,IC50,nM,3FUP,2.0,2.4,experimental,10.1016/j.jmb.2009.01.041,Spodoptera frugiperda,Homo sapiens,Tyrosine-protein kinase JAK2,1.0,MI1,"3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile",CC1CCN(CC1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N,HSA,312.3770000000001
15396,4DRH,X-RAY DIFFRACTION,2012-02-17,2013-02-06,RAP,3.5,IC50,nM,4DRH,23.0,2.3,experimental,10.1128/MCB.00678-12,Escherichia coli BL21(DE3),Homo sapiens,Serine/threonine-protein kinase mTOR,2.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
15406,5GPG,X-RAY DIFFRACTION,2016-08-02,2016-10-12,RAP,3.5,IC50,nM,5GPG,1.0,1.67,experimental,10.1021/acscentsci.6b00137,Escherichia coli BL21(DE3),Homo sapiens,Serine/threonine-protein kinase mTOR,2.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
15413,5SWR,X-RAY DIFFRACTION,2016-08-08,2017-02-15,,,,,5SWR,4.0,3.31,experimental,10.1016/j.bmc.2017.01.012,Spodoptera frugiperda,Homo sapiens,Phosphatidylinositol 3-kinase regulatory subunit alpha,2.0,718,"6-hydroxy-3,4-dihydronaphthalen-1(2H)-one",c1cc2c(cc1O)CCCC2=O,HSA,162.18799999999996
15416,6BBV,X-RAY DIFFRACTION,2017-10-19,2018-01-17,D7D,271.0,IC50,nM,6BBV,1.0,1.8,experimental,10.1021/acs.jmedchem.7b01598,Spodoptera frugiperda,Homo sapiens,Tyrosine-protein kinase JAK2,1.0,D7D,"N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide",CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2,HSA,323.42199999999997
15425,6D9H,ELECTRON MICROSCOPY,2018-04-29,2018-06-20,ADN,364.0,Ki,nM,6D9H,1.0,3.6,experimental,10.1038/s41586-018-0236-6,Trichoplusia ni,Homo sapiens,Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1,4.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
15442,7JV5,ELECTRON MICROSCOPY,2020-08-20,2021-02-24,SK0,1.899999976,Ki,nM,7JV5,13.0,3,experimental,10.1016/j.cell.2021.01.027,Escherichia coli,synthetic construct,Nanobody 35,5.0,SK0,"(1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol",c1ccc(cc1)C2CNCCc3c2cc(c(c3Cl)O)O,HSA,289.76199999999994
15451,7LJC,ELECTRON MICROSCOPY,2021-01-28,2021-03-03,SK0,7.0,Ki,nM,7LJC,14.0,3,experimental,10.1038/s41422-021-00482-0,Escherichia coli,Lama glama,Nanoboy 35,5.0,SK0,"(1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol",c1ccc(cc1)C2CNCCc3c2cc(c(c3Cl)O)O,HSA,289.76199999999994
15465,7LJD,ELECTRON MICROSCOPY,2021-01-28,2021-03-03,LDP,1700.0,IC50,nM,7LJD,11.0,3.2,experimental,10.1038/s41422-021-00482-0,Spodoptera frugiperda,Rattus norvegicus,Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,3.0,LDP,L-DOPAMINE,c1cc(c(cc1CCN)O)O,HSA,153.181
15525,7VY5,ELECTRON MICROSCOPY,2021-11-13,2022-01-19,,,,,7VY5,1.0,3.15,experimental,10.1073/pnas.2118590119,Escherichia coli BL21(DE3),Homo sapiens,Complement decay-accelerating factor,5.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
15530,7VY6,ELECTRON MICROSCOPY,2021-11-13,2022-01-19,,,,,7VY6,1.0,3.02,experimental,10.1073/pnas.2118590119,Homo sapiens,Homo sapiens,Complement decay-accelerating factor,5.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
15544,9IWL,X-RAY DIFFRACTION,2024-07-25,2025-05-07,,,,,9IWL,2.0,2.09,experimental,10.3390/antiox14040494,,Homo sapiens,CREB-binding protein,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
15546,9L8L,ELECTRON MICROSCOPY,2024-12-27,2025-12-31,,,,,9L8L,2.0,3.22,experimental,,Homo sapiens,Homo sapiens,Beta-2 adrenergic receptor,5.0,DR7,"(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,
6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER",CC(C)(C)C(C(=O)NC(Cc1ccccc1)C(CN(Cc2ccc(cc2)c3ccccn3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC,HSA,704.8690000000001
15551,1ZGY,X-RAY DIFFRACTION,2005-04-22,2005-07-26,BRL,8.0,Ki,nM,1ZGY,1.0,1.8,experimental,10.1073/pnas.0501204102,,Rattus norvegicus,"Nuclear receptor subfamily 0, group B, member 2",2.0,BRL,"2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)",CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3,HSA,357.435
15622,4DRI,X-RAY DIFFRACTION,2012-02-17,2013-02-06,RAP,3.5,IC50,nM,4DRI,1.0,1.45,experimental,10.1128/MCB.00678-12,Escherichia coli BL21(DE3),Homo sapiens,Serine/threonine-protein kinase mTOR,2.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
15634,7CZ5,ELECTRON MICROSCOPY,2020-09-07,2020-11-18,,,,,7CZ5,3.0,2.6,experimental,10.1038/s41467-020-18945-0,Escherichia coli,synthetic construct,Nanobody35,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
15640,7JVP,ELECTRON MICROSCOPY,2020-08-22,2021-02-24,SK9,1.179999948,Ki,nM,7JVP,12.0,2.9,experimental,10.1016/j.cell.2021.01.027,Escherichia coli,synthetic construct,nanobody 35,5.0,SK9,"(1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol",Cc1cccc(c1)C2CN(CCc3c2cc(c(c3Cl)O)O)C,HSA,317.816
15645,7VYK,ELECTRON MICROSCOPY,2021-11-14,2022-01-19,,,,,7VYK,1.0,2.79,experimental,10.1073/pnas.2118590119,Homo sapiens,Coxsackievirus B3,Capsid protein VP1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
15650,8FFW,ELECTRON MICROSCOPY,2022-12-10,2023-11-01,DEX,0.6899999976,Ki,nM,8FFW,5.0,3.23,experimental,10.1038/s41594-023-01128-y,Escherichia coli BL21(DE3),Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP5,3.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
15718,9EE9,ELECTRON MICROSCOPY,2024-11-18,2025-04-09,,,,,9EE9,1.0,3.16,experimental,10.1038/s41467-025-56434-4,Spodoptera frugiperda,Homo sapiens,Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2,3.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
15723,9EEA,ELECTRON MICROSCOPY,2024-11-18,2025-04-09,,,,,9EEA,1.0,3.36,experimental,10.1038/s41467-025-56434-4,Komagataella pastoris,Homo sapiens,Adenosine receptor A2a,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
15739,1NN8,ELECTRON MICROSCOPY,2003-01-13,2004-01-27,,,,,1NN8,1.0,15,experimental,10.1128/JVI.77.8.4827-4835.2003,Homo sapiens,Human poliovirus 1 Mahoney,coat protein VP4,5.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
15782,7C9V,ELECTRON MICROSCOPY,2020-06-07,2020-07-29,,,,,7C9V,1.0,3.3,experimental,10.1038/s41467-020-18251-9,Homo sapiens,Homo sapiens,Beta-2-microglobulin,6.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
15788,7XW5,ELECTRON MICROSCOPY,2022-05-26,2022-08-24,,,,,7XW5,27.0,2.96,experimental,10.1038/s41586-022-05173-3,Homo sapiens,Homo sapiens,Thyrotropin subunit beta,7.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
15795,8F0J,ELECTRON MICROSCOPY,2022-11-03,2023-08-02,,,,,8F0J,17.0,2,experimental,10.1038/s41589-023-01393-4,Trichoplusia ni,Lama glama,nanobody 35,6.0,D6M,N-hexadecanoyl-L-glutamic acid,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O,HSA,385.54500000000013
15801,8IRV,ELECTRON MICROSCOPY,2023-03-19,2023-06-07,R5F,986.0,Ki,nM,8IRV,12.0,3.1,experimental,10.1038/s41422-023-00808-0,Trichoplusia ni,Homo sapiens,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,1.0,R5F,Rotigotine,CCCN(CCc1cccs1)C2CCc3c(cccc3O)C2,HSA,315.482
15805,8KHF,ELECTRON MICROSCOPY,2023-08-21,2024-05-01,,,,,8KHF,1.0,3.13,experimental,10.1038/s41586-024-07605-8,,Homo sapiens,"ATP synthase subunit epsilon, mitochondrial",4.0,BQ1,Bedaquiline,CN(C)CCC(c1cccc2c1cccc2)(C(c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O,HSA,555.5160000000003
15817,9EE8,ELECTRON MICROSCOPY,2024-11-18,2025-04-09,,,,,9EE8,1.0,2.63,experimental,10.1038/s41467-025-56434-4,Komagataella pastoris,Homo sapiens,Adenosine receptor A2a,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
15831,9LLJ,ELECTRON MICROSCOPY,2025-01-17,2026-03-04,,,,,9LLJ,3.0,2.61,experimental,,Spodoptera frugiperda,"Homo sapiens, synthetic construct","D(1A) dopamine receptor,LgBiT",1.0,LDP,L-DOPAMINE,c1cc(c(cc1CCN)O)O,HSA,153.181
15839,1OPL,X-RAY DIFFRACTION,2003-03-06,2003-04-08,P16,2.799999952,IC50,nM,1OPL,3.0,3.42,experimental,10.1016/S0092-8674(03)00194-6,Spodoptera frugiperda,Homo sapiens,proto-oncogene tyrosine-protein kinase,1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
15844,4DRJ,X-RAY DIFFRACTION,2012-02-17,2013-02-06,RAP,430.0,IC50,nM,4DRJ,2.0,1.8,experimental,10.1128/MCB.00678-12,Escherichia coli BL21(DE3),Homo sapiens,Serine/threonine-protein kinase mTOR,2.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
16082,6VNK,X-RAY DIFFRACTION,2020-01-29,2021-02-17,RXT,3.099999905,IC50,nM,6VNK,4.0,2,experimental,10.1021/acs.jmedchem.0c01952,Homo sapiens,Homo sapiens,Tyrosine-protein kinase JAK2,1.0,RXT,"(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile",c1c[nH]c2c1c(ncn2)c3cnn(c3)C(CC#N)C4CCCC4,HSA,306.37300000000016
16120,7TYI,ELECTRON MICROSCOPY,2022-02-13,2022-03-30,,,,,7TYI,12.0,3.3,experimental,10.1126/science.abm9609,Trichoplusia ni,Homo sapiens,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
16126,8FFV,ELECTRON MICROSCOPY,2022-12-10,2023-11-01,DEX,1.399999976,IC50,nM,8FFV,5.0,3.01,experimental,10.1038/s41594-023-01128-y,Escherichia coli BL21(DE3),Homo sapiens,"Peptidyl-prolyl cis-trans isomerase FKBP4, N-terminally processed",3.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
16219,2JFA,X-RAY DIFFRACTION,2007-01-29,2007-02-20,,,,,2JFA,6.0,2.55,experimental,10.1074/JBC.M611424200,,synthetic construct,COREPRESSOR PEPTIDE,3.0,RAL,RALOXIFENE,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O,HSA,473.5940000000004
16222,5YCP,X-RAY DIFFRACTION,2017-09-07,2018-09-12,BRL,27.0,EC50,nM,5YCP,1.0,2,experimental,10.1038/s41598-017-18274-1,,Homo sapiens,Nuclear receptor coactivator 1,2.0,BRL,"2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)",CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3,HSA,357.435
16293,6KTN,X-RAY DIFFRACTION,2019-08-28,2020-02-05,,,,,6KTN,1.0,2.752,experimental,10.3390/molecules24193562,,Homo sapiens,16-mer peptide from Nuclear receptor coactivator 1,2.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
16295,6VGL,X-RAY DIFFRACTION,2020-01-08,2021-01-13,RXT,6.849999905,IC50,nM,6VGL,4.0,1.9,experimental,10.1021/acs.jmedchem.0c01952,Homo sapiens,Homo sapiens,Tyrosine-protein kinase JAK2,1.0,RXT,"(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile",c1c[nH]c2c1c(ncn2)c3cnn(c3)C(CC#N)C4CCCC4,HSA,306.37300000000016
16333,7LD3,ELECTRON MICROSCOPY,2021-01-12,2021-09-08,ADN,295.0,Kd,nM,7LD3,2.0,3.2,experimental,10.1038/s41586-021-03897-2,Trichoplusia ni,Homo sapiens,Guanine nucleotide-binding protein G(i) subunit alpha-2,1.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
16358,7M0U,X-RAY DIFFRACTION,2021-03-11,2021-04-21,QO7,12.0,IC50,nM,7M0U,5.0,3.09,experimental,10.1073/pnas.2107207118,Spodoptera frugiperda,Homo sapiens,Dual specificity mitogen-activated protein kinase kinase 1,2.0,QO7,5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide,Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NOCCO,HSA,441.23200000000014
16361,7N9G,X-RAY DIFFRACTION,2021-06-17,2022-04-27,STI,1000.0,EC50,nM,7N9G,7.0,2.2,experimental,10.1016/j.jmb.2021.167349,Escherichia coli,Homo sapiens,Tyrosine-protein kinase ABL1,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
16535,8HK2,ELECTRON MICROSCOPY,2022-11-24,2023-05-10,,,,,8HK2,7.0,2.9,experimental,10.1038/s41589-023-01339-w,Spodoptera frugiperda,Rattus norvegicus,scFV16,6.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
16558,7W59,ELECTRON MICROSCOPY,2021-11-29,2022-06-22,,,,,7W59,18.0,3.6,experimental,10.1016/j.molcel.2022.05.021,,unidentified adenovirus,pre-mRNA,5.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
16598,2HYY,X-RAY DIFFRACTION,2006-08-08,2007-01-16,STI,2.0,Kd,nM,2HYY,4.0,2.4,experimental,10.1107/S0907444906047287,Spodoptera frugiperda,Homo sapiens,Proto-oncogene tyrosine-protein kinase ABL1,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
16710,3PYY,X-RAY DIFFRACTION,2010-12-13,2011-03-09,STI,37.0,Ki,nM,3PYY,9.0,1.85,experimental,10.1016/j.chembiol.2010.12.013,Spodoptera frugiperda,Homo sapiens,Tyrosine-protein kinase ABL1,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
16825,6NPU,X-RAY DIFFRACTION,2019-01-18,2019-03-13,STI,170.0,Kd,nM,6NPU,8.0,2.33,experimental,10.1021/acs.jmedchem.8b01872,Spodoptera aff. frugiperda 2 RZ-2014,Homo sapiens,Tyrosine-protein kinase ABL1,1.0,STI,4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,HSA,493.61500000000035
16940,7B5F,ELECTRON MICROSCOPY,2020-12-03,2022-01-12,,,,,7B5F,2.0,2.9,experimental,,unidentified baculovirus,Homo sapiens,Beta-2-microglobulin,6.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
16946,7KRJ,ELECTRON MICROSCOPY,2020-11-20,2022-01-12,DEX,1.200000048,IC50,nM,7KRJ,5.0,2.56,experimental,10.1038/s41586-021-04236-1,Escherichia coli BL21,Homo sapiens,Glucocorticoid receptor,3.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
17014,7LD4,ELECTRON MICROSCOPY,2021-01-12,2021-09-08,ADN,295.0,Kd,nM,7LD4,1.0,3.3,experimental,10.1038/s41586-021-03897-2,Trichoplusia ni,Homo sapiens,Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,2.0,ADN,ADENOSINE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N,HSA,267.245
17031,7TYW,ELECTRON MICROSCOPY,2022-02-14,2022-03-23,,,,,7TYW,6.0,3,experimental,10.1126/science.abm9609,Trichoplusia ni,Homo sapiens,Receptor activity-modifying protein 1,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
17038,6PIT,X-RAY DIFFRACTION,2019-06-27,2019-10-16,EST,0.3540000021,IC50,nM,6PIT,2.0,2.25,experimental,10.1021/jacs.9b07578,,synthetic construct,Stapled Peptide 41A,3.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
17170,1FAP,X-RAY DIFFRACTION,1996-03-15,1997-07-23,RAP,0.3000000119,Kd,nM,1FAP,1.0,2.7,experimental,,Escherichia coli,Homo sapiens,FRAP,2.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
17185,2FO0,X-RAY DIFFRACTION,2006-01-12,2006-03-21,P16,2.799999952,IC50,nM,2FO0,4.0,2.27,experimental,10.1016/j.molcel.2006.01.035,Spodoptera frugiperda,Homo sapiens,Proto-oncogene tyrosine-protein kinase ABL1 (1B ISOFORM),1.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
17209,9HFL,ELECTRON MICROSCOPY,2024-11-18,2025-07-16,,,,,9HFL,3.0,2.62,experimental,10.1038/s41594-025-01595-5,Escherichia coli,Homo sapiens,Exportin-1,1.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
17215,2PRG,X-RAY DIFFRACTION,1998-08-14,1999-07-19,BRL,8.0,Ki,nM,2PRG,2.0,2.3,experimental,10.1038/25931,Escherichia coli BL21(DE3),Homo sapiens,NUCLEAR RECEPTOR COACTIVATOR SRC-1,2.0,BRL,"2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)",CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3,HSA,357.435
17307,5GTO,X-RAY DIFFRACTION,2016-08-22,2017-07-05,MYR,21000.0,IC50,nM,5GTO,3.0,2.1,experimental,10.1016/j.bbapap.2017.03.008,,Homo sapiens,Nuclear receptor coactivator 1,2.0,T35,"2-[4-[5-[(1~{S})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid",CCC(c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC,HSA,617.6550000000002
17310,5GTP,X-RAY DIFFRACTION,2016-08-23,2017-07-05,MYR,21000.0,IC50,nM,5GTP,2.0,2.35,experimental,10.1016/j.bbapap.2017.03.008,,Homo sapiens,Nuclear receptor coactivator 1,2.0,MYR,MYRISTIC ACID,CCCCCCCCCCCCCC(=O)O,HSA,228.37599999999995
17312,6CBZ,X-RAY DIFFRACTION,2018-02-05,2018-02-28,,,,,6CBZ,3.0,1.65,experimental,10.1124/mol.117.111385,synthetic construct,Homo sapiens,grip peptide,3.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
17315,7TYY,ELECTRON MICROSCOPY,2022-02-14,2022-03-23,,,,,7TYY,8.0,3,experimental,10.1126/science.abm9609,Trichoplusia ni,Homo sapiens,Receptor activity-modifying protein 2,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
17322,8XI9,X-RAY DIFFRACTION,2023-12-19,2024-08-07,,,,,8XI9,1.0,1.85,experimental,10.1002/1873-3468.14986,Escherichia coli,Homo sapiens,FRB-FKBP fusion protein,1.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
17323,9AUC,ELECTRON MICROSCOPY,2024-02-28,2024-04-24,,,,,9AUC,10.0,2.4,experimental,10.1021/acs.biochem.4c00114,Trichoplusia ni,Homo sapiens,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
17340,5FLC,ELECTRON MICROSCOPY,2015-10-23,2015-12-30,RAP,0.05000000075,IC50,nM,5FLC,2.0,5.9,experimental,10.1126/SCIENCE.AAA3870,Spodoptera frugiperda,Homo sapiens,SERINE/THREONINE-PROTEIN KINASE MTOR,1.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
17350,7TYF,ELECTRON MICROSCOPY,2022-02-13,2022-03-23,,,,,7TYF,15.0,2.2,experimental,10.1126/science.abm9609,Trichoplusia ni,Homo sapiens,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
17361,6ICZ,ELECTRON MICROSCOPY,2018-09-07,2019-03-13,,,,,6ICZ,19.0,3,experimental,10.1038/s41422-019-0143-x,,Homo sapiens,Protein CASC3,4.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
17402,7W5B,ELECTRON MICROSCOPY,2021-11-29,2022-06-22,,,,,7W5B,19.0,4.3,experimental,10.1016/j.molcel.2022.05.021,,Homo sapiens,U2 snRNA,9.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
17447,8I0W,ELECTRON MICROSCOPY,2023-01-11,2024-07-31,,,,,8I0W,14.0,3.4,experimental,10.1038/s41467-024-50785-0,,Homo sapiens,U2 snRNA,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
17565,6PB0,ELECTRON MICROSCOPY,2019-06-12,2020-02-12,,,,,6PB0,12.0,3,experimental,10.1016/j.molcel.2020.01.013,Escherichia coli,synthetic construct,Nanobody 35,6.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
17571,7TZF,ELECTRON MICROSCOPY,2022-02-15,2022-03-23,,,,,7TZF,18.0,2.4,experimental,10.1126/science.abm9609,Trichoplusia ni,Homo sapiens,Receptor activity-modifying protein 3,1.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
17578,8F0K,ELECTRON MICROSCOPY,2022-11-03,2023-08-02,,,,,8F0K,17.0,1.9,experimental,10.1038/s41589-023-01393-4,Escherichia coli,Lama glama,Nanobody 35,7.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
17585,8F2B,ELECTRON MICROSCOPY,2022-11-07,2023-08-02,,,,,8F2B,15.0,2,experimental,10.1038/s41589-023-01393-4,Trichoplusia ni,Homo sapiens,Calcitonin receptor,7.0,D6M,N-hexadecanoyl-L-glutamic acid,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O,HSA,385.54500000000013
17592,8KCT,ELECTRON MICROSCOPY,2023-08-08,2024-08-14,,,,,8KCT,12.0,2.6,experimental,10.1038/s41594-024-01439-8,Homo sapiens,Homo sapiens,Presenilin-1,4.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
17596,9MHF,ELECTRON MICROSCOPY,2024-12-11,2025-02-12,,,,,9MHF,5.0,2.73,experimental,10.1126/science.adl3787,Homo sapiens,Homo sapiens,Ras-related protein Rab-1A,5.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
17601,9MHG,ELECTRON MICROSCOPY,2024-12-11,2025-02-12,,,,,9MHG,5.0,3.2,experimental,10.1126/science.adl3787,Escherichia coli BL21,Homo sapiens,Ras-related protein Rab-1A,5.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
17606,5YZG,ELECTRON MICROSCOPY,2017-12-14,2018-08-08,,,,,5YZG,19.0,4.1,experimental,10.1126/science.aar6401,,Homo sapiens,U5 small nuclear ribonucleoprotein 40 kDa protein,5.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
17651,7W5A,ELECTRON MICROSCOPY,2021-11-29,2022-06-22,,,,,7W5A,19.0,3.6,experimental,10.1016/j.molcel.2022.05.021,,Homo sapiens,Pre-mRNA-splicing factor SYF1,9.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
17793,6M4U,X-RAY DIFFRACTION,2020-03-09,2020-08-26,RAP,0.6000000238,IC50,nM,6M4U,24.0,2.2,experimental,10.1038/s41592-020-0913-x,Escherichia coli,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP1A,1.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
17809,6PB1,ELECTRON MICROSCOPY,2019-06-12,2020-02-12,,,,,6PB1,9.0,2.8,experimental,10.1016/j.molcel.2020.01.013,,Homo sapiens,Urocortin,2.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
17815,7TYX,ELECTRON MICROSCOPY,2022-02-14,2022-03-30,,,,,7TYX,13.0,2.55,experimental,10.1126/science.abm9609,Trichoplusia ni,Homo sapiens,Receptor activity-modifying protein 2,1.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
17948,9CHV,ELECTRON MICROSCOPY,2024-07-02,2024-11-13,,,,,9CHV,1.0,3.95,experimental,10.1073/pnas.2414544121,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP1A,3.0,FK5,8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN,CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC,HSA,804.0310000000002
17951,9CHX,ELECTRON MICROSCOPY,2024-07-02,2024-11-13,,,,,9CHX,2.0,3.5,experimental,10.1073/pnas.2414544121,Escherichia coli,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP1A,3.0,CAU,(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol,CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O,HSA,298.386
17954,1FM6,X-RAY DIFFRACTION,2000-08-16,2001-02-16,,,,,1FM6,4.0,2.1,experimental,10.1016/S1097-2765(00)80448-7,,,STEROID RECEPTOR COACTIVATOR,3.0,9CR,(9cis)-retinoic acid,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
17961,3J9F,ELECTRON MICROSCOPY,2015-01-15,2015-02-11,,,,,3J9F,2.0,9,experimental,10.1128/JVI.03101-14,,Homo sapiens,Poliovirus receptor,7.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
17974,5DXB,X-RAY DIFFRACTION,2015-09-23,2016-07-27,EST,28.0,IC50,nM,5DXB,5.0,2.08,experimental,10.1002/anie.201510557,,Homo sapiens,Nuclear receptor coactivator 2,3.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
18150,9FMD,ELECTRON MICROSCOPY,2024-06-05,2024-07-10,,,,,9FMD,16.0,3.3,experimental,10.1038/s41586-024-07741-1,,Homo sapiens,Eukaryotic initiation factor 4A-III,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
18209,3A9E,X-RAY DIFFRACTION,2009-10-24,2010-10-06,754,4.0,EC50,nM,3A9E,2.0,2.75,experimental,10.1371/journal.pone.0015119,,Homo sapiens,13-mer (LXXLL motif) from Nuclear receptor coactivator 2,3.0,754,"(2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid",CCCOc1cc2c(cc1C(=CC=CC(=CC(=O)O)C)C)C(CCC2(C)C)(C)C,HSA,396.57100000000025
18224,3DZY,X-RAY DIFFRACTION,2008-07-30,2008-10-28,BRL,396.0,EC50,nM,3DZY,6.0,3.1,experimental,10.1038/nature07413,,,NCOA2 Peptide,5.0,9CR,(9cis)-retinoic acid,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
18330,3UUD,X-RAY DIFFRACTION,2011-11-28,2012-08-22,EST,4.400000095,IC50,nM,3UUD,6.0,1.6,experimental,10.1073/pnas.1203574109,Escherichia coli BL21(DE3),Homo sapiens,Estrogen receptor,1.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
18458,5DX3,X-RAY DIFFRACTION,2015-09-23,2016-07-20,EST,0.75,EC50,nM,5DX3,3.0,2.0903,experimental,10.1002/anie.201510557,,Homo sapiens,Stapled Peptide SRC2-P3,3.0,EST,ESTRADIOL,CC12CCC3c4ccc(cc4CCC3C1CCC2O)O,HSA,272.3879999999999
18582,5JI0,X-RAY DIFFRACTION,2016-04-21,2017-04-26,9CR,583.0,Ki,nM,5JI0,2.0,1.98,experimental,,,Homo sapiens,Nuclear receptor coactivator 1,3.0,9CR,(9cis)-retinoic acid,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,HSA,300.44200000000006
18718,6ONJ,X-RAY DIFFRACTION,2019-04-22,2020-03-04,BRL,14.0,EC50,nM,6ONJ,1.0,2.3,experimental,10.1038/s41467-020-14750-x,Escherichia coli,Homo sapiens,"Mediator of RNA polymerase II transcription subunit 1, TRAP220 Coactivator Peptide",2.0,BRL,"2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)",CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3,HSA,357.435
18789,9CHU,ELECTRON MICROSCOPY,2024-07-02,2024-11-13,,,,,9CHU,2.0,3.49,experimental,10.1073/pnas.2414544121,Escherichia coli 'BL21-Gold(DE3)pLysS AG,Homo sapiens,Peptidyl-prolyl cis-trans isomerase FKBP1A,3.0,E5E,Noradrenaline,c1cc(c(cc1C(C[NH3+])O)O)O,HSA,170.18800000000002
18792,6M4W,X-RAY DIFFRACTION,2020-03-09,2020-08-26,RAP,0.05000000075,IC50,nM,6M4W,4.0,3.11,experimental,10.1038/s41592-020-0913-x,Escherichia coli,Homo sapiens,Serine/threonine-protein kinase mTOR,3.0,RAP,RAPAMYCIN IMMUNOSUPPRESSANT DRUG,CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC,HSA,914.1870000000001
18799,7MHZ,ELECTRON MICROSCOPY,2021-04-16,2021-06-16,,,,,7MHZ,15.0,3.2,experimental,10.1126/science.abg4998,Mus musculus,Mus musculus,3H02 Fab light chain,4.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
18803,7DVQ,ELECTRON MICROSCOPY,2021-01-14,2021-03-31,,,,,7DVQ,17.0,2.89,experimental,10.1126/science.abg0879,,Homo sapiens,Small nuclear ribonucleoprotein-associated proteins B and B',7.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
18845,8H6K,ELECTRON MICROSCOPY,2022-10-18,2024-05-01,,,,,8H6K,5.0,2.7,experimental,10.1038/s41422-024-00949-w,,Homo sapiens,pre-mRNA,1.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
18894,7ABG,ELECTRON MICROSCOPY,2020-09-07,2020-12-23,,,,,7ABG,4.0,7.8,experimental,10.1126/science.abc3753,,Homo sapiens,U2 small nuclear ribonucleoprotein B'',7.0,GTG,7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE,C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,HSA,803.445
18945,6AHD,ELECTRON MICROSCOPY,2018-08-17,2018-11-14,,,,,6AHD,3.0,3.8,experimental,10.1038/s41422-018-0094-7,,Homo sapiens,pre-mRNA,5.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
19083,5XJC,ELECTRON MICROSCOPY,2017-04-30,2017-07-05,,,,,5XJC,24.0,3.6,experimental,10.1016/j.cell.2017.04.033,,Homo sapiens,Pre-mRNA-splicing factor SYF1,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
19166,8H6E,ELECTRON MICROSCOPY,2022-10-17,2024-05-01,,,,,8H6E,4.0,3.2,experimental,10.1038/s41422-024-00949-w,,Homo sapiens,U6 snRNA-associated Sm-like protein LSm8,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
19213,8H6J,ELECTRON MICROSCOPY,2022-10-18,2024-05-01,,,,,8H6J,4.0,3.25,experimental,10.1038/s41422-024-00949-w,,Homo sapiens,U6 snRNA-associated Sm-like protein LSm8,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004
19263,8KI3,ELECTRON MICROSCOPY,2023-08-22,2024-05-01,,,,,8KI3,11.0,2.89,experimental,10.1038/s41586-024-07605-8,,Homo sapiens,"ATP synthase subunit beta, mitochondrial",2.0,ATP,ADENOSINE-5'-TRIPHOSPHATE,c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,HSA,507.18200000000013
19280,6N7K,ELECTRON MICROSCOPY,2018-11-27,2019-05-29,,,,,6N7K,38.0,6.5,experimental,10.1038/s41467-019-10234-9,Homo sapiens,Homo sapiens,Sonic hedgehog protein,2.0,NAG,2-acetamido-2-deoxy-beta-D-glucopyranose,CC(=O)NC1C(C(C(OC1O)CO)O)O,HSA,221.20899999999997
19285,6N7G,ELECTRON MICROSCOPY,2018-11-27,2019-05-29,,,,,6N7G,38.0,6.8,experimental,10.1038/s41467-019-10234-9,Homo sapiens,Homo sapiens,Sonic hedgehog protein,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
19290,6N7H,ELECTRON MICROSCOPY,2018-11-27,2019-05-29,,,,,6N7H,19.0,3.6,experimental,10.1038/s41467-019-10234-9,Homo sapiens,Homo sapiens,Sonic hedgehog protein,2.0,PLM,PALMITIC ACID,CCCCCCCCCCCCCCCC(=O)O,HSA,256.4299999999999
19295,6RVD,ELECTRON MICROSCOPY,2019-05-31,2019-10-02,,,,,6RVD,15.0,3.5,experimental,10.1038/s41589-019-0370-y,Homo sapiens,Homo sapiens,Sonic hedgehog protein,2.0,CLR,CHOLESTEROL,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C,HSA,386.66400000000016
19514,8PJ3,ELECTRON MICROSCOPY,2023-06-22,2024-08-14,,,,,8PJ3,93.0,3.7,experimental,10.1038/s41594-024-01378-4,,Homo sapiens,Eukaryotic translation initiation factor 3 subunit H,9.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
19725,8PJ4,ELECTRON MICROSCOPY,2023-06-22,2024-08-14,,,,,8PJ4,93.0,3.2,experimental,10.1038/s41594-024-01378-4,,Homo sapiens,Eukaryotic translation initiation factor 3 subunit H,9.0,GTP,GUANOSINE-5'-TRIPHOSPHATE,c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,HSA,523.181
19934,9CN3,ELECTRON MICROSCOPY,2024-07-15,2025-04-23,,,,,9CN3,106.0,2.62,experimental,10.1093/nar/gkaf046,,Homo sapiens,"39S ribosomal protein L36, mitochondrial",5.0,ZLD,"N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide",CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3,HSA,337.35100000000017
20127,8RO2,ELECTRON MICROSCOPY,2024-01-11,2024-09-18,,,,,8RO2,5.0,3.5,experimental,10.1038/s41586-024-07741-1,,Homo sapiens,CWF19-like protein 1,9.0,IHP,INOSITOL HEXAKISPHOSPHATE,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,HSA,660.0300000000004