3P89
| FXR bound to a quinolinecarboxylic acid | 分子名称: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | 著者 | Madauss, K.P, Williams, S.P, Deaton, D.N. | 登録日 | 2010-10-13 | 公開日 | 2011-08-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
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3P88
| FXR bound to isoquinolinecarboxylic acid | 分子名称: | 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | 著者 | Madauss, K.P, Williams, S.P, Deaton, D.N. | 登録日 | 2010-10-13 | 公開日 | 2011-08-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
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3K22
| Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide | 分子名称: | Glucocorticoid receptor, N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide, Transcriptional Intermediary Factor 2, ... | 著者 | Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K. | 登録日 | 2009-09-29 | 公開日 | 2010-08-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor. Proc.Natl.Acad.Sci.USA, 106, 2009
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3K23
| Glucocorticoid Receptor with Bound D-prolinamide 11 | 分子名称: | 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide, Glucocorticoid receptor, Nuclear receptor coactivator 2 | 著者 | Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K. | 登録日 | 2009-09-29 | 公開日 | 2009-10-27 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor. Proc.Natl.Acad.Sci.USA, 106, 2009
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3KBA
| Progesterone receptor bound to sulfonamide pyrrolidine partial agonist | 分子名称: | 2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile, Progesterone receptor, SULFATE ION | 著者 | Kallander, L.S, Washburn, D.G, Williams, S.P, Madauss, K.P. | 登録日 | 2009-10-20 | 公開日 | 2009-12-08 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Improving the developability profile of pyrrolidine progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 20, 2010
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8UIF
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8UIA
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2AA5
| Mineralocorticoid Receptor with Bound Progesterone | 分子名称: | Mineralocorticoid receptor, PROGESTERONE | 著者 | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | 登録日 | 2005-07-13 | 公開日 | 2005-07-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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2AAX
| Mineralocorticoid Receptor Double Mutant with Bound Cortisone | 分子名称: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, Mineralocorticoid receptor, SULFATE ION | 著者 | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | 登録日 | 2005-07-14 | 公開日 | 2005-07-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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2AA2
| Mineralocorticoid Receptor with Bound Aldosterone | 分子名称: | ALDOSTERONE, GLYCEROL, Mineralocorticoid receptor, ... | 著者 | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | 登録日 | 2005-07-13 | 公開日 | 2005-07-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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2AA7
| Mineralocorticoid Receptor with Bound Deoxycorticosterone | 分子名称: | DESOXYCORTICOSTERONE, GLYCEROL, Mineralocorticoid receptor, ... | 著者 | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | 登録日 | 2005-07-13 | 公開日 | 2005-07-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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2AA6
| Mineralocorticoid Receptor S810L Mutant with Bound Progesterone | 分子名称: | Mineralocorticoid receptor, PROGESTERONE | 著者 | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | 登録日 | 2005-07-13 | 公開日 | 2005-07-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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2AB2
| Mineralocorticoid Receptor Double Mutant with Bound Spironolactone | 分子名称: | Mineralocorticoid receptor, SPIRONOLACTONE, SULFATE ION | 著者 | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | 登録日 | 2005-07-14 | 公開日 | 2005-07-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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1SR7
| Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate | 分子名称: | GLYCEROL, MOMETASONE FUROATE, Progesterone receptor, ... | 著者 | Madauss, K.P, Deng, S.-J, Austin, R.J, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J, Williams, S.P. | 登録日 | 2004-03-22 | 公開日 | 2004-06-22 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes J.Med.Chem., 47, 2004
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2OVM
| Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor NCoR | 分子名称: | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, NCoR, Progesterone receptor | 著者 | Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P. | 登録日 | 2007-02-14 | 公開日 | 2007-03-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator. Mol.Endocrinol., 21, 2007
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2OVH
| Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor SMRT | 分子名称: | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, Progesterone receptor, SMRT peptide | 著者 | Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P. | 登録日 | 2007-02-13 | 公開日 | 2007-03-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator. Mol.Endocrinol., 21, 2007
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3E7C
| Glucocorticoid Receptor LBD bound to GSK866 | 分子名称: | 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide, GLYCEROL, Glucocorticoid receptor, ... | 著者 | Madauss, K.P, Williams, S.P, Mclay, I, Stewart, E.L, Bledsoe, R.K. | 登録日 | 2008-08-18 | 公開日 | 2008-11-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | The first X-ray crystal structure of the glucocorticoid receptor bound to a non-steroidal agonist. Bioorg.Med.Chem.Lett., 18, 2008
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3GD2
| isoxazole ligand bound to farnesoid X receptor (FXR) | 分子名称: | 3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, activator peptide | 著者 | Madauss, K.P, Williams, S.P, Deaton, D.N, Wisely, G.B, Mcfadyen, R.B. | 登録日 | 2009-02-23 | 公開日 | 2009-07-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064. Bioorg.Med.Chem.Lett., 19, 2009
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3G8O
| Progesterone Receptor with bound Pyrrolidine 1 | 分子名称: | N~2~-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-N~2~-(2,2,2-trifluoroethyl)-L-alaninamide, Progesterone receptor, SULFATE ION | 著者 | Thompson, S.K, Washburn, D.G, Madauss, K.P, Williams, S.P, Stewart, E.L. | 登録日 | 2009-02-12 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 19, 2009
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3HQ5
| Progesterone Receptor bound to an Alkylpyrrolidine ligand. | 分子名称: | 2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile, GLYCEROL, Progesterone receptor, ... | 著者 | Madauss, K.P, Williams, S.P, Washburn, D.G. | 登録日 | 2009-06-05 | 公開日 | 2010-03-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 19, 2009
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1LV2
| Hepatocyte Nuclear Factor 4 is a Transcription Factor that Constitutively Binds Fatty Acids | 分子名称: | Hepatocyte nuclear factor 4-gamma, PALMITIC ACID | 著者 | Wisely, B, Miller, A.B, Davis, R.G, Spitzer, T, Shearer, B, Moore, J.T, Johnson, R, Sefler, A, Willson, T.M, Williams, S.P. | 登録日 | 2002-05-24 | 公開日 | 2002-12-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Hepatocyte Nuclear Factor 4 Is a Transcription Factor
that Constitutively Binds Fatty Acids. Structure, 10, 2002
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1NDE
| Estrogen Receptor beta with Selective Triazine Modulator | 分子名称: | 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL, Estrogen receptor beta | 著者 | Henke, B.R, Consler, T.G, Go, N, Hale, R.L, Hohman, D.R, Jones, S.A, Lu, A.T, Moore, L.B, Moore, J.T, Orband-Miller, L.A, Robinett, R.G, Shearin, J, Spearing, P.K, Stewart, E.L, Turnbull, P.S, Weaver, S.L, Williams, S.P, Wisely, G.B, Lambert, M.H. | 登録日 | 2002-12-09 | 公開日 | 2002-12-18 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta J.Med.Chem., 45, 2002
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6MVQ
| HCV NS5B 1b N316 bound to Compound 31 | 分子名称: | (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | 著者 | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | 登録日 | 2018-10-26 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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6MVP
| HCV NS5B 1b N316 bound to Compound 18 | 分子名称: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein | 著者 | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | 登録日 | 2018-10-26 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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6MVO
| HCV NS5B 1A Y316 bound to Compound 49 | 分子名称: | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION | 著者 | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | 登録日 | 2018-10-26 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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