PDB: 1833 件ウェブページステータス検索Chemie searchBIRD

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3VT6	Crystal structure of rat VDR-LBD with 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 分子名称: (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor 著者 Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. 登録日 2012-05-19 公開日 2013-05-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
3VT5	Crystal structures of rat VDR-LBD with R270L mutation 分子名称: (1R,2E,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor 著者 Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. 登録日 2012-05-19 公開日 2013-05-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
3VT4	Crystal structures of rat VDR-LBD with R270L mutation 分子名称: (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor 著者 Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. 登録日 2012-05-19 公開日 2013-05-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
3VT3	Crystal structures of rat VDR-LBD with R270L mutation 分子名称: 1,2-ETHANEDIOL, 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, COACTIVATOR PEPTIDE DRIP, ... 著者 Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. 登録日 2012-05-19 公開日 2013-05-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
3VSP	Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt28 分子名称: (2R)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Oyama, T, Waku, T, Ohashi, M, Morikawa, K, Miyachi, H. 登録日 2012-04-30 公開日 2013-05-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt28 To be Published
3VSO	Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt21 分子名称: (2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Oyama, T, Waku, T, Ohashi, M, Morikawa, K, Miyachi, H. 登録日 2012-04-30 公開日 2013-05-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Design and synthesis of a series of alpha-benzyl phenylpropanoic acid-type peroxisome proliferator-activated receptor (PPAR) gamma partial agonists with improved aqueous solubility Bioorg.Med.Chem., 21, 2013
3VRW	VDR ligand binding domain in complex with 22S-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3 分子名称: (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-5-ethyl-5-hydroxyheptan-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 Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K. 登録日 2012-04-16 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
3VRV	VDR ligand binding domain in complex with 2-Methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3 分子名称: (1R,3R,7E,17beta)-17-[(2R)-5-ethyl-5-hydroxyheptan-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 Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, 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 (1.9 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
3VRU	VDR ligand binding domain in complex with 2-Methylidene-19,24-dinor-1alpha,25-dihydroxy vitaminD3 分子名称: (1R,3R,7E,17beta)-17-[(2R)-5-hydroxy-5-methylhexan-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 Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, 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 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
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
3VN2	Crystal Structure of PPARgamma complexed with Telmisartan 分子名称: 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma 著者 Amano, Y. 登録日 2011-12-21 公開日 2012-03-07 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Structural basis for telmisartan-mediated partial activation of PPAR gamma Hypertens Res, 35, 2012
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
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
3VJI	Human PPAR gamma ligand binding domain in complex with JKPL53 分子名称: (2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic 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 (2.61 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
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
3VI8	Human PPAR alpha ligand binding domain in complex with a synthetic agonist APHM13 分子名称: (2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha 著者 Oyama, T, Miyachi, H, Morikawa, K. 登録日 2011-09-25 公開日 2012-08-29 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.75 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
3VHW	Crystal structure of the human vitamin D receptor ligand binding domain complexed with 4-MP 分子名称: Vitamin D3 receptor, methyl (1S,3E)-3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3R,4S,5R)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name) 著者 Kakuda, S, Takimoto-Kamimura, M. 登録日 2011-09-08 公開日 2013-03-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Synthesis of novel C-2 substituted vitamin D derivatives having ringed side chains and their biological evaluation on bone J.Steroid Biochem.Mol.Biol., 136, 2013
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
3VHU	Mineralocorticoid receptor ligand-binding domain with spironolactone 分子名称: Mineralocorticoid receptor, SPIRONOLACTONE 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 (2.11 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
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
3V9V	Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator 分子名称: Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma, methyl 3-{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}propanoate 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 (1.6 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, 2011
3V9T	Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator 分子名称: (9aS)-8-acetyl-N-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 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 (1.65 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
3V4A	Structure of ar lbd with activator peptide and sarm inhibitor 2 分子名称: (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one, Androgen receptor, SULFATE ION 著者 Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. 登録日 2011-12-14 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Discovery of diarylhydantoins as new selective androgen receptor modulators. J.Med.Chem., 55, 2012
3V49	Structure of ar lbd with activator peptide and sarm inhibitor 1 分子名称: 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, activator peptide, ... 著者 Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.-M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. 登録日 2011-12-14 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of diarylhydantoins as new selective androgen receptor modulators. J.Med.Chem., 55, 2012
3V3Q	Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate 分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... 著者 Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. 登録日 2011-12-14 公開日 2012-09-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012

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