5GTN
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![BU of 5gtn by Molmil](/molmil-images/mine/5gtn) | Human PPARgamma ligand binding dmain complexed with R35 | 分子名称: | 2-[4-[5-[(1~{R})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | 著者 | Jang, J.Y, Suh, S.W. | 登録日 | 2016-08-22 | 公開日 | 2017-07-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural basis for differential activities of enantiomeric PPAR gamma agonists: Binding of S35 to the alternate site. Biochim. Biophys. Acta, 1865, 2017
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5Q14
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![BU of 5q14 by Molmil](/molmil-images/mine/5q14) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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4MGB
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![BU of 4mgb by Molmil](/molmil-images/mine/4mgb) | Crystal structure of hERa-LBD (Y537S) in complex with TCBPA | 分子名称: | 4,4'-propane-2,2-diylbis(2,6-dichlorophenol), Estrogen receptor, GLYCEROL, ... | 著者 | Delfosse, V, Grimaldi, M, Bourguet, W. | 登録日 | 2013-08-28 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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6TFI
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![BU of 6tfi by Molmil](/molmil-images/mine/6tfi) | PXR IN COMPLEX WITH THROMBIN INHIBITOR COMPOUND 17 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Hillig, R.C, Puetter, V. | 登録日 | 2019-11-14 | 公開日 | 2020-11-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
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5Q1E
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![BU of 5q1e by Molmil](/molmil-images/mine/5q1e) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | 5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5L7E
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![BU of 5l7e by Molmil](/molmil-images/mine/5l7e) | MCR IN COMPLEX WITH ligand | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | 著者 | Edman, K, Aagaard, A, Backstrom, S, Xue, Y. | 登録日 | 2016-06-03 | 公開日 | 2016-12-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity. ChemMedChem, 12, 2017
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5Q0V
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![BU of 5q0v by Molmil](/molmil-images/mine/5q0v) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-fluorophenyl)acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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7XWQ
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![BU of 7xwq by Molmil](/molmil-images/mine/7xwq) | |
5Q1D
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![BU of 5q1d by Molmil](/molmil-images/mine/5q1d) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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4TUZ
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![BU of 4tuz by Molmil](/molmil-images/mine/4tuz) | Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalenol | 分子名称: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, 1,2-ETHANEDIOL, Estrogen receptor, ... | 著者 | Delfosse, V, Grimaldi, M, Bourguet, W. | 登録日 | 2014-06-25 | 公開日 | 2015-01-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A structural perspective on nuclear receptors as targets of environmental compounds. Acta Pharmacol. Sin., 36, 2015
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4MGD
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![BU of 4mgd by Molmil](/molmil-images/mine/4mgd) | Crystal structure of hERa-LBD (Y537S) in complex with HPTE | 分子名称: | 1,2-ETHANEDIOL, 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol, Estrogen receptor, ... | 著者 | Delfosse, V, Grimaldi, M, Bourguet, W. | 登録日 | 2013-08-28 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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7AXE
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![BU of 7axe by Molmil](/molmil-images/mine/7axe) | Crystal structure of the hPXR-LBD in complex with oxadiazon | 分子名称: | GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | 著者 | Harrus, D, Delfosse, V, Bourguet, W. | 登録日 | 2020-11-09 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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4DM6
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![BU of 4dm6 by Molmil](/molmil-images/mine/4dm6) | Crystal structure of RARb LBD homodimer in complex with TTNPB | 分子名称: | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID, Nuclear receptor coactivator 1, Retinoic acid receptor beta | 著者 | Osz, J, Brelivet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D. | 登録日 | 2012-02-07 | 公開日 | 2012-03-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors. Proc.Natl.Acad.Sci.USA, 109, 2012
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1K4W
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![BU of 1k4w by Molmil](/molmil-images/mine/1k4w) | X-ray structure of the orphan nuclear receptor ROR beta ligand-binding domain in the active conformation | 分子名称: | Nuclear receptor ROR-beta, STEARIC ACID, steroid receptor coactivator-1 | 著者 | Stehlin, C, Wurtz, J.M, Steinmetz, A, Greiner, E, Schuele, R, Moras, D, Renaud, J.P. | 登録日 | 2001-10-09 | 公開日 | 2002-04-09 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | X-ray structure of the orphan nuclear receptor RORbeta ligand-binding domain in the active conformation. EMBO J., 20, 2001
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3OLF
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![BU of 3olf by Molmil](/molmil-images/mine/3olf) | |
3BEJ
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![BU of 3bej by Molmil](/molmil-images/mine/3bej) | Structure of human FXR in complex with MFA-1 and co-activator peptide | 分子名称: | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | 著者 | Soisson, S.M, Parthasarathy, G, Becker, J.W. | 登録日 | 2007-11-19 | 公開日 | 2008-03-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation. Proc.Natl.Acad.Sci.Usa, 105, 2008
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5Q0U
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![BU of 5q0u by Molmil](/molmil-images/mine/5q0u) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, trans-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q0O
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![BU of 5q0o by Molmil](/molmil-images/mine/5q0o) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide, Bile acid receptor, CHLORIDE ION, ... | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q13
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![BU of 5q13 by Molmil](/molmil-images/mine/5q13) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1H-benzimidazol-1-yl]-N-cyclohexyl-2-[(2S)-oxan-2-yl]acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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7WQQ
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![BU of 7wqq by Molmil](/molmil-images/mine/7wqq) | Retinoic acid receptor alpha mutant - N299H | 分子名称: | 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid, Peptide from Nuclear receptor coactivator 1, Retinoic acid receptor alpha | 著者 | Huang, X.X, Ng, L.M, Teh, B.T. | 登録日 | 2022-01-25 | 公開日 | 2023-01-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Effects of breast fibroepithelial tumor associated retinoic acid receptor alpha ligand binding domain mutations on receptor function and retinoid signaling To Be Published
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3OMK
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![BU of 3omk by Molmil](/molmil-images/mine/3omk) | |
5Q0W
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![BU of 5q0w by Molmil](/molmil-images/mine/5q0w) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid, Bile acid receptor, cDNA FLJ76652, ... | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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3LMP
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![BU of 3lmp by Molmil](/molmil-images/mine/3lmp) | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | 分子名称: | (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | 著者 | Matsui, Y, Hanzawa, H. | 登録日 | 2010-01-31 | 公開日 | 2010-04-14 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives Bioorg.Med.Chem.Lett., 20, 2010
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5Q15
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![BU of 5q15 by Molmil](/molmil-images/mine/5q15) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q18
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![BU of 5q18 by Molmil](/molmil-images/mine/5q18) | Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | (2S)-2-cyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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