6IVX
 
 | | Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. | | 分子名称: | (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | | 著者 | Noguchi, M, Nomura, A, Doi, S, Adachi, T. | | 登録日 | 2018-12-04 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
J. Med. Chem., 62, 2019
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7CXF
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2REW
 | | Crystal Structure of PPARalpha ligand binding domain with BMS-631707 | | 分子名称: | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE, Peroxisome proliferator-activated receptor alpha | | 著者 | Muckelbauer, J. | | 登録日 | 2007-09-27 | | 公開日 | 2007-11-27 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of Azetidinone Acids as Conformationally-Constrained Dual (alpha/gamma) PPAR Activators
To be Published
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8SVO
 | | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-310 | | 分子名称: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | | 著者 | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | | 登録日 | 2023-05-17 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
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3VT9
 | | Crystal structures of rat VDR-LBD with W282R mutation | | 分子名称: | (1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-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 (2.35 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
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7NKE
 | | Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment | | 分子名称: | 2,4-di~{tert}-butylphenol, FORMIC ACID, Nuclear receptor coactivator 2, ... | | 著者 | Carivenc, C, Bourguet, W. | | 登録日 | 2021-02-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | 2,4-Di-tert-butylphenol Induces Adipogenesis in Human Mesenchymal Stem Cells by Activating Retinoid X Receptors.
Endocrinology, 164, 2023
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5IXK
 | | RORgamma in complex with inverse agonist BIO399. | | 分子名称: | N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, Nuclear receptor ROR-gamma | | 著者 | Marcotte, D.J. | | 登録日 | 2016-03-23 | | 公開日 | 2016-06-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Bmc Struct.Biol., 16, 2016
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3KYT
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5GTP
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5Y44
 | | A novel moderator XD4 for bile acid receptor | | 分子名称: | Bile acid receptor, Peptide from Nuclear receptor coactivator 1, SULFATE ION, ... | | 著者 | Lu, Y, Li, Y. | | 登録日 | 2017-08-01 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | A novel moderator XD4 for bile acid receptor
To Be Published
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1I7I
 | | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST AZ 242 | | 分子名称: | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA | | 著者 | Petersen, J.F.W, Cronet, P, Folmer, R, Blomberg, N, Sjoblom, K, Karlsson, U, Lindstedt, E.-L, Bamberg, K. | | 登録日 | 2001-03-09 | | 公開日 | 2002-03-09 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family.
Structure, 9, 2001
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2VV4
 | | hPPARgamma Ligand binding domain in complex with 6-oxoOTE | | 分子名称: | (8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid, (8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | 著者 | Itoh, T, Fairall, L, Schwabe, J.W.R. | | 登録日 | 2008-06-02 | | 公開日 | 2008-08-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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4LSJ
 | | Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Bound to a Dibenzoxapine Sulfonamide | | 分子名称: | D30 peptide, Glucocorticoid receptor, N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide | | 著者 | Carson, M, Luz, J.G, Clawson, D, Coghlan, M. | | 登録日 | 2013-07-22 | | 公開日 | 2014-01-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Glucocorticoid receptor modulators informed by crystallography lead to a new rationale for receptor selectivity, function, and implications for structure-based design.
J.Med.Chem., 57, 2014
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6Q6M
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2ZMJ
 | | Crystal Structure of Rat Vitamin D Receptor Bound to Adamantyl Vitamin D Analogs: Structural Basis for Vitamin D Receptor Antagonism and/or Partial Agonism | | 分子名称: | (1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-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, Yamada, S, Tanaka, T, Igarashi, M, Yoshimoto, N, Ikura, T, Ito, N, Makishima, M, Tokiwa, H, DeLuca, H.F, Shimizu, M. | | 登録日 | 2008-04-19 | | 公開日 | 2008-09-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Crystal structures of rat vitamin d receptor bound to adamantyl vitamin d analogs: structural basis for vitamin d receptor antagonism and partial agonism
J.Med.Chem., 51, 2008
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2VST
 | | hPPARgamma Ligand binding domain in complex with 13-(S)-HODE | | 分子名称: | (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | 著者 | Itoh, T, Fairall, L, Schwabe, J.W.R. | | 登録日 | 2008-04-29 | | 公開日 | 2008-08-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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5VO4
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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
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3PO9
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5UC1
 | | Structural Analysis of Glucocorticoid Receptor beta Ligand Binding Domain Complexed with Glucocorticoid Antagonist RU-486: Implication of Helix 12 in Antagonism | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, ... | | 著者 | Pedersen, L.C, Min, J. | | 登録日 | 2016-12-21 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.351 Å) | | 主引用文献 | Probing Dominant Negative Behavior of Glucocorticoid Receptor beta through a Hybrid Structural and Biochemical Approach.
Mol. Cell. Biol., 2018
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4RUJ
 | | Crystal structure of zVDR L337H mutant-VD complex | | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 著者 | Huet, T, Moras, D, Rochel, N. | | 登録日 | 2014-11-20 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | | 主引用文献 | A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
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5GIC
 | | Crystal structure of VDR in complex with DLAM-2P | | 分子名称: | (3~{R},5~{S})-5-[(2~{R})-2-[(1~{R},3~{a}~{S},4~{Z},7~{a}~{R})-7~{a}-methyl-4-[(2~{E})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(2-phenylethyl)pyrrolidin-2-one, SRC1, Vitamin D3 receptor | | 著者 | Shimizu, T, Asano, L. | | 登録日 | 2016-06-23 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | | 主引用文献 | Regulation of the vitamin D receptor by vitamin D lactam derivatives.
Febs Lett., 590, 2016
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2ZK0
 | | Human peroxisome proliferator-activated receptor gamma ligand binding domain | | 分子名称: | Peroxisome proliferator-activated receptor gamma | | 著者 | Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K. | | 登録日 | 2008-03-12 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
J.Mol.Biol., 385, 2009
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4UDB
 | | MR in complex with desisobutyrylciclesonide | | 分子名称: | DESISOBUYTYRYL CICLESONIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Edman, K, Hogner, A, Hussein, A, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, JellesmarkJensen, T, Cavallin, A, Nilsson, E, Lepisto, M, Guallar, V. | | 登録日 | 2014-12-09 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
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3FAL
 | | humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186 | | 分子名称: | 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ... | | 著者 | Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L. | | 登録日 | 2008-11-17 | | 公開日 | 2009-04-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.
J.Med.Chem., 51, 2008
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