2PRG
 
 | | LIGAND-BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA | | 分子名称: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), NUCLEAR RECEPTOR COACTIVATOR SRC-1, ... | | 著者 | Nolte, R.T, Wisely, G.B, Milburn, M.V. | | 登録日 | 1998-08-14 | | 公開日 | 1999-07-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Ligand binding and co-activator assembly of the peroxisome proliferator-activated receptor-gamma.
Nature, 395, 1998
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1G1U
 | | THE 2.5 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN IN TETRAMER IN THE ABSENCE OF LIGAND | | 分子名称: | RETINOIC ACID RECEPTOR RXR-ALPHA | | 著者 | Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Wisely, G.B, Milburn, M.V, Xu, H.E. | | 登録日 | 2000-10-13 | | 公開日 | 2001-04-25 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix.
Genes Dev., 14, 2000
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1G5Y
 | | THE 2.0 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN TETRAMER IN THE PRESENCE OF A NON-ACTIVATING RETINOIC ACID ISOMER. | | 分子名称: | RETINOIC ACID, RETINOIC ACID RECEPTOR RXR-ALPHA | | 著者 | Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Wisely, G.B, Milburn, M.V, Xu, H.E. | | 登録日 | 2000-11-02 | | 公開日 | 2001-05-02 | | 最終更新日 | 2018-04-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix.
Genes Dev., 14, 2000
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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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3GWX
 | | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | | 分子名称: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)) | | 著者 | Xu, H.E, Lambert, M.H, Montana, V.G, Parks, D.J, Blanchard, S.G, Brown, P.J, Sternbach, D.D, Lehmann, J.M, Wisely, G.B, Willson, T.M, Kliewer, S.A, Milburn, M.V. | | 登録日 | 1999-04-26 | | 公開日 | 2000-04-26 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
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1M13
 | | Crystal Structure of the Human Pregane X Receptor Ligand Binding Domain in Complex with Hyperforin, a Constituent of St. John's Wort | | 分子名称: | 4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE, Orphan Nuclear Receptor PXR | | 著者 | Watkins, R.E, Maglich, J.M, Moore, L.B, Wisely, G.B, Noble, S.M, Davis-Searles, P.R, Lambert, M.H, Kliewer, S.A, Redinbo, M.R. | | 登録日 | 2002-06-17 | | 公開日 | 2003-03-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | 2.1 A Crystal Structure of Human PXR in Complex with the St. John's Wort Compound Hyperforin
Biochemistry, 42, 2003
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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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1PRG
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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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2BAW
 | | Human Nuclear Receptor-Ligand Complex 1 | | 分子名称: | Peroxisome proliferator activated receptor delta, VACCENIC ACID, heptyl beta-D-glucopyranoside | | 著者 | Fyffe, S.A, Alphey, M.S, Buetow, L, Smith, T.K, Ferguson, M.A.J, Sorensen, M.D, Bjorkling, F, Hunter, W.N. | | 登録日 | 2005-10-15 | | 公開日 | 2006-01-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Reevaluation of the PPAR-beta/delta Ligand Binding Domain Model Reveals Why It Exhibits the Activated Form
Mol.Cell, 21, 2006
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7N2A
 | | human PXR LBD bound to compound 2 | | 分子名称: | 5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one, Isoform 1C of Nuclear receptor subfamily 1 group I member 2 | | 著者 | Williams, S.P, Wisely, G.B, Ramanjulu, J.M. | | 登録日 | 2021-05-28 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
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1SKX
 | | Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin | | 分子名称: | Orphan nuclear receptor PXR, RIFAMPICIN | | 著者 | Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R. | | 登録日 | 2004-03-05 | | 公開日 | 2005-03-08 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin
Mol.Endocrinol., 19, 2005
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7RIV
 | | human PXR LBD bound to GSK001 | | 分子名称: | Dabrafenib, Isoform 1C of Nuclear receptor subfamily 1 group I member 2 | | 著者 | Williams, S.P, Wisely, G.B, Ward, P. | | 登録日 | 2021-07-20 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
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7RIO
 | | human PXR LBD bound to GSK003 | | 分子名称: | Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide | | 著者 | Williams, S.P, Wisely, G.B, Ward, P. | | 登録日 | 2021-07-20 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
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7RIU
 | | human PXR LBD bound to GSK002 | | 分子名称: | Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide | | 著者 | Williams, S.P, Wisely, G.B, Ward, P. | | 登録日 | 2021-07-20 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
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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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1GWX
 | | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | | 分子名称: | 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC ACID, PROTEIN (PPAR-DELTA) | | 著者 | Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V. | | 登録日 | 1999-03-17 | | 公開日 | 2000-03-17 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
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3DCT
 | | FXR with SRC1 and GW4064 | | 分子名称: | 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1 | | 著者 | Williams, S.P, Madauss, K.P. | | 登録日 | 2008-06-04 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
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3DCU
 | | FXR with SRC1 and GSK8062 | | 分子名称: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1 | | 著者 | Williams, S.P, Madauss, K.P. | | 登録日 | 2008-06-04 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
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3B3K
 | | Crystal structure of the complex between PPARgamma and the full agonist LT175 | | 分子名称: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | | 登録日 | 2007-10-22 | | 公開日 | 2008-10-28 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
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2GWX
 | | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | | 分子名称: | PROTEIN (PPAR-DELTA) | | 著者 | Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V. | | 登録日 | 1999-03-11 | | 公開日 | 2000-03-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
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1ILG
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3RUT
 | | FXR with SRC1 and GSK359 | | 分子名称: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | 著者 | Williams, S.P, Madauss, K.P. | | 登録日 | 2011-05-05 | | 公開日 | 2011-09-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
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3RVF
 | | FXR with SRC1 and GSK2034 | | 分子名称: | 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | 著者 | Williams, S.P, Madauss, K.P. | | 登録日 | 2011-05-06 | | 公開日 | 2011-09-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
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