PDB: 1811 件ウェブページステータス検索Chemie searchBIRD

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7JTM	CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST 分子名称: Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid 著者 Sack, J.S. 登録日 2020-08-18 公開日 2020-09-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization. Bioorg.Med.Chem.Lett., 30, 2020
7JQG	Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with GW1929 分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2020-08-10 公開日 2021-03-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural mechanism underlying ligand binding and activation of PPAR gamma. Structure, 29, 2021
7KHT	The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear receptor Steroidogenic Factor-1 (SF-1) 分子名称: (2S)-3-{[(S)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9E,9'E)di-octadec-9-enoate, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha peptide, Steroidogenic factor 1 著者 Blind, R.D. 登録日 2020-10-22 公開日 2021-05-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.504 Å) 主引用文献 The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear receptor steroidogenic factor-1. J.Lipid Res., 62, 2021
7LOT	Human PPAR Gamma LBD in Complex with Tetrazole Compound N-{3-[(4-methylbenzyl)oxy]benzyl}-2H-tetrazol-5-amine. 分子名称: Peroxisome proliferator-activated receptor gamma, ~{N}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{H}-1,2,3,4-tetrazol-5-amine 著者 de Paula, K, Nascimento, A.S. 登録日 2021-02-10 公開日 2021-02-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Tetrazoles as PPAR gamma ligands: A structural and computational investigation. J.Mol.Graph.Model., 106, 2021
6LOA	Crystal structure of RORgammat with ligand C46D bound 分子名称: 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide, Nuclear receptor ROR-gamma 著者 Feng, Y, Shijie, C. 登録日 2020-01-04 公開日 2021-01-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.50003314 Å) 主引用文献 Crystal structure of RORgammat with ligand C46D bound To Be Published
6LX5	X-ray structure of human PPARalpha ligand binding domain-ciprofibrate co-crystals obtained by delipidation and co-crystallization 分子名称: 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. 登録日 2020-02-10 公開日 2020-11-11 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
6LX6	X-ray structure of human PPARalpha ligand binding domain-palmitic acid co-crystals obtained by delipidation and cross-seeding 分子名称: GLYCEROL, PALMITIC ACID, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. 登録日 2020-02-10 公開日 2020-11-11 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
6LXB	X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by soaking 分子名称: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. 登録日 2020-02-10 公開日 2020-11-11 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
6MCZ	Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Arachidonic Acid 分子名称: ARACHIDONIC ACID, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2018-09-03 公開日 2019-01-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma. Elife, 7, 2018
6LXA	X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA) co-crystals obtained by delipidation and cross-seeding 分子名称: 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. 登録日 2020-02-10 公開日 2020-11-11 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
6LOC	Crystal structure of RORgammat with ligand C46D bound 分子名称: 6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma 著者 Feng, Y, Shijie, C. 登録日 2020-01-04 公開日 2021-01-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.20014858 Å) 主引用文献 Crystal structure of RORgammat with ligand C46D bound To Be Published
6LX8	X-ray structure of human PPARalpha ligand binding domain-oleic acid co-crystals obtained by delipidation and cross-seeding 分子名称: GLYCEROL, OLEIC ACID, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. 登録日 2020-02-10 公開日 2020-11-11 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
6MD2	Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Arachidonic acid 分子名称: 2-chloro-5-nitro-N-phenylbenzamide, ARACHIDONIC ACID, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2018-09-03 公開日 2019-01-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma. Elife, 7, 2018
6LX7	X-ray structure of human PPARalpha ligand binding domain-stearic acid co-crystals obtained by delipidation and cross-seeding 分子名称: GLYCEROL, Peroxisome proliferator-activated receptor alpha, STEARIC ACID 著者 Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. 登録日 2020-02-10 公開日 2020-11-11 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
6LXC	X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by delipidation and cross-seeding 分子名称: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. 登録日 2020-02-10 公開日 2020-11-11 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
6MD0	Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Oleic Acid 分子名称: OLEIC ACID, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2018-09-03 公開日 2019-01-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma. Elife, 7, 2018
6MS7	Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77 分子名称: PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid 著者 Yi, W, Jiang, H, Zhou, X.E, Shi, J, Zhao, G, Zhang, X, Sun, Y, Suino-Powell, K, Li, J, Li, J, Melcher, K, Xu, H.E. 登録日 2018-10-16 公開日 2019-10-23 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery. Chem Sci, 11, 2020
6NWS	RORgamma Ligand Binding Domain 分子名称: 2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide, Nuclear receptor ROR-gamma 著者 Strutzenberg, T.S, Park, H.J, Griffin, P.R. 登録日 2019-02-07 公開日 2019-07-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists. Elife, 8, 2019
6NAD	Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt 分子名称: (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol, Nuclear receptor ROR-gamma 著者 Spurlino, J, Milligan, C. 登録日 2018-12-05 公開日 2019-05-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.90197086 Å) 主引用文献 3-Substituted Quinolines as ROR gamma t Inverse Agonists. Bioorg.Med.Chem.Lett., 29, 2019
6NWU	RORgamma Ligand Binding Domain 分子名称: 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole, Nuclear receptor ROR-gamma 著者 Strutzenberg, T.S, Park, H, Griffin, P.R. 登録日 2019-02-07 公開日 2019-07-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists. Elife, 8, 2019
6NWT	RORgamma Ligand Binding Domain 分子名称: 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol, Nuclear receptor ROR-gamma 著者 Strutzenberg, T.S, Park, H, Griffin, P.R. 登録日 2019-02-07 公開日 2019-07-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists. Elife, 8, 2019
6O98	Crystal structure of RAR-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor 分子名称: 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma 著者 Sack, J.S. 登録日 2019-03-13 公開日 2019-03-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists. ACS Med Chem Lett, 10, 2019
1HJ1	RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PURE ANTIOESTROGEN ICI164,384 分子名称: N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE, NICKEL (II) ION, OESTROGEN RECEPTOR BETA, ... 著者 Pike, A.C.W, Brzozowski, A.M, Carlquist, M. 登録日 2001-01-08 公開日 2002-01-04 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural Insights Into the Mode of Action of a Pure Antiestrogen Structure, 9, 2001
1ILH	Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813 分子名称: ORPHAN NUCLEAR RECEPTOR PXR, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER 著者 Watkins, R.E, Redinbo, M.R. 登録日 2001-05-08 公開日 2001-06-27 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.76 Å) 主引用文献 The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity. Science, 292, 2001
1ILG	Crystal Structure of Apo Human Pregnane X Receptor Ligand Binding Domain 分子名称: ORPHAN NUCLEAR RECEPTOR PXR 著者 Watkins, R.E, Redinbo, M.R. 登録日 2001-05-08 公開日 2001-06-27 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity. Science, 292, 2001

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