2QH6
| Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound | 分子名称: | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | 登録日 | 2007-06-29 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QNV
| Crystal Structure of the Pregnane X Receptor bound to Colupulone | 分子名称: | 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one, Orphan nuclear receptor PXR | 著者 | Teotico, D.G, Bischof, J, Redinbo, M.R. | 登録日 | 2007-07-19 | 公開日 | 2008-07-29 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structure of the Pregnane X Receptor bound to Colupulone TO BE PUBLISHED
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2OM9
| Ajulemic acid, a synthetic cannabinoid bound to PPAR gamma | 分子名称: | (6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-TETRAHYDRO-6H-BENZO[C]CHROMENE-9-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma | 著者 | Ambrosio, A.L.B, Garratt, R.C. | 登録日 | 2007-01-21 | 公開日 | 2007-04-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Ajulemic Acid, a Synthetic Nonpsychoactive Cannabinoid Acid, Bound to the Ligand Binding Domain of the Human Peroxisome Proliferator-activated Receptor gamma J.Biol.Chem., 282, 2007
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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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3VJH
| Human PPAR GAMMA ligand binding domain in complex with JKPL35 | 分子名称: | (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid, Peroxisome proliferator-activated receptor gamma | 著者 | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | 登録日 | 2011-10-20 | 公開日 | 2012-08-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype. J.Med.Chem., 55, 2012
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3VJT
| Vitamin D receptor complex with a carborane compound | 分子名称: | 1-(2-[(R)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane, Vitamin D3 receptor, peptide from Mediator of RNA polymerase II transcription subunit 1 | 著者 | Fujii, S, Masuno, M, Kagechika, H, Nakabayashi, M, Ito, N. | 登録日 | 2011-10-31 | 公開日 | 2012-02-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Boron Cluster-based Development of Potent Nonsecosteroidal Vitamin D Receptor Ligands: Direct Observation of Hydrophobic Interaction between Protein Surface and Carborane J.Am.Chem.Soc., 133, 2011
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3V9Y
| Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | 分子名称: | 4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid, Peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | 著者 | Matsui, Y, Hanzawa, H. | 登録日 | 2011-12-28 | 公開日 | 2012-02-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists Bioorg.Med.Chem.Lett., 22, 2012
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3VHV
| Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist | 分子名称: | 1,2-ETHANEDIOL, 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one, 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one, ... | 著者 | Sogabe, S, Habuka, N. | 登録日 | 2011-09-07 | 公開日 | 2011-12-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists J.Med.Chem., 54, 2011
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2PIN
| Thyroid receptor beta in complex with inhibitor | 分子名称: | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE, SULFATE ION, Thyroid hormone receptor beta-1, ... | 著者 | Estebanez-Perpina, E, Jouravel, N, Baxter, J.D, Guy, L.R, Webb, P, Fletterick, R.J. | 登録日 | 2007-04-13 | 公開日 | 2008-02-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural insight into the mode of action of a direct inhibitor of coregulator binding to the thyroid hormone receptor. Mol.Endocrinol., 21, 2007
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2PIU
| Androgen receptor LBD with small molecule | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | 著者 | Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R. | 登録日 | 2007-04-13 | 公開日 | 2007-09-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | A surface on the androgen receptor that allosterically regulates coactivator binding. Proc.Natl.Acad.Sci.Usa, 104, 2007
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3VJS
| Vitamin D receptor complex with a carborane compound | 分子名称: | 1-(2-[(S)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane, Vitamin D3 receptor, peptide from Mediator of RNA polymerase II transcription subunit 1 | 著者 | Fujii, S, Masuno, M, Kagechika, H, Nakabayashi, M, Ito, N. | 登録日 | 2011-10-31 | 公開日 | 2012-02-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Boron Cluster-based Development of Potent Nonsecosteroidal Vitamin D Receptor Ligands: Direct Observation of Hydrophobic Interaction between Protein Surface and Carborane J.Am.Chem.Soc., 133, 2011
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3VRT
| VDR ligand binding domain in complex with 2-Mehylidene-19,25,26,27-tetranor-1alpha,24-dihydroxyvitaminD3 | 分子名称: | (1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | 著者 | Nakabayashi, M, Yoshimoto, N, Inaba, Y, Itoh, T, Ito, N, Yamamoto, K. | 登録日 | 2012-04-14 | 公開日 | 2012-05-23 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands J.Med.Chem., 55, 2012
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2QXM
| Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Burned Meat Compound PhIP | 分子名称: | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nettles, K.W, Bruning, J.B, Gil, G, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | 登録日 | 2007-08-12 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QPY
| AR LBD with small molecule | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ... | 著者 | Estebanez-Perpina, E, Fletterick, R. | 登録日 | 2007-07-25 | 公開日 | 2007-09-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A surface on the androgen receptor that allosterically regulates coactivator binding. Proc.Natl.Acad.Sci.Usa, 104, 2007
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3W5Q
| Crystal structure of complexes of vitamin D receptor ligand binding domain with lithocholic acid derivatives | 分子名称: | (5beta,9beta)-3-oxocholan-24-oic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | 著者 | Masuno, H, Ikura, T, Ito, N. | 登録日 | 2013-02-05 | 公開日 | 2013-06-26 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structures of complexes of vitamin D receptor ligand-binding domain with lithocholic acid derivatives. J.Lipid Res., 54, 2013
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2QGT
| Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to an Ether Estradiol Compound | 分子名称: | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | 登録日 | 2007-06-29 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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4A2J
| PR X-Ray structures in agonist conformations reveal two different mechanisms for partial agonism in 11beta-substituted steroids | 分子名称: | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, PROGESTERONE RECEPTOR, SULFATE ION | 著者 | Lusher, S.J, Raaijmakers, H.C.A, Bosch, R, Vu-Pham, D, McGuire, R, Oubrie, A, de Vlieg, J. | 登録日 | 2011-09-27 | 公開日 | 2012-04-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | X-ray structures of progesterone receptor ligand binding domain in its agonist state reveal differing mechanisms for mixed profiles of 11 beta-substituted steroids. J. Biol. Chem., 287, 2012
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2QSE
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2QA8
| Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with Genistein | 分子名称: | Estrogen receptor, GENISTEIN, nuclear receptor coactivator 2 | 著者 | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | 登録日 | 2007-06-14 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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3WTQ
| Crystal structure of VDR-LBD complexed with 22S-butyl-2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 | 分子名称: | (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | 著者 | Nakabayashi, M, Inaba, Y, Itoh, T, Anami, Y, Ikura, T, Ito, N, Yamamoto, K. | 登録日 | 2014-04-15 | 公開日 | 2015-04-15 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of VDR-LBD complexed with 22S-butyl-2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 To be Published
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2R40
| Crystal structure of 20E bound EcR/USP | 分子名称: | (2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one, CITRATE ANION, Ecdysone Receptor, ... | 著者 | Moras, D, Billas, I.M.L, Browning, C. | 登録日 | 2007-08-30 | 公開日 | 2007-10-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | 主引用文献 | Critical Role of Desolvation in the Binding of 20-Hydroxyecdysone to the Ecdysone Receptor J.Biol.Chem., 282, 2007
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2QGW
| Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with a Chloro-Indazole Compound | 分子名称: | 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | 登録日 | 2007-06-29 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QE4
| Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist | 分子名称: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor | 著者 | Norman, B.H, Richardson, T.I, Dodge, J.A, Pfeifer, L.A, Durst, G.L, Wang, Y, Durbin, J.D, Krishnan, V, Dinn, S.R, Liu, S.Q, Reilly, J.E, Ryter, K.T. | 登録日 | 2007-06-22 | 公開日 | 2007-09-04 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: Functionalization of the benzopyran A-ring. Bioorg.Med.Chem.Lett., 17, 2007
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3WJ5
| Crystal structure of PPARgamma ligand binding domain in complex with triphenyltin | 分子名称: | Peroxisome proliferator-activated receptor gamma, triphenylstannanyl | 著者 | Harada, S, Hiromori, Y, Fukakusa, S, Kawahara, K, Nakamura, S, Noda, M, Uchiyama, S, Fukui, K, Nishikawa, J, Nagase, H, Kobayashi, Y, Ohkubo, T, Yoshida, T, Nakanishi, T. | 登録日 | 2013-10-04 | 公開日 | 2014-10-15 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structural basis for PPARgamma transactivation by endocrine disrupting organotin compounds To be Published
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2QXS
| Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene | 分子名称: | Estrogen receptor, RALOXIFENE | 著者 | Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W. | 登録日 | 2007-08-12 | 公開日 | 2008-09-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
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