8ZFO
 
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6CHT
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6B31
 | | Structure of RORgt in complex with a novel inverse agonist 2 | | 分子名称: | (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide, Nuclear receptor ROR-gamma | | 著者 | Skene, R.J, Hoffman, I. | | 登録日 | 2017-09-20 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | | 主引用文献 | Identification of novel quinazolinedione derivatives as ROR gamma t inverse agonist.
Bioorg. Med. Chem., 26, 2018
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3WWR
 | | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1-((((1S,2R,6R,Z)-2,6-dihydroxy-4-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-3-methylenecyclohexyl)oxy)methyl)cyclopropanecarbonitrile | | 分子名称: | 1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile, Vitamin D3 receptor | | 著者 | Kakuda, S, Takimoto-Kamimura, M. | | 登録日 | 2014-06-27 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | | 主引用文献 | Synthesis and biological activities of vitamin D3 derivatives with cyanoalkyl side chain at C-2 position.
J.Steroid Biochem.Mol.Biol., 148, 2015
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6BR2
 | | Structure of RORgt in complex with a novel isoquinoline inverse agonist. | | 分子名称: | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma | | 著者 | Skene, R.J, Hoffman, I. | | 登録日 | 2017-11-29 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | | 主引用文献 | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
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5UHI
 | | Structure of RORgt bound to | | 分子名称: | (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol, Nuclear receptor ROR-gamma | | 著者 | Spurlino, J, Abad, M. | | 登録日 | 2017-01-11 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.198 Å) | | 主引用文献 | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
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8ZFT
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1QKU
 | | WILD TYPE ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL | | 分子名称: | ESTRADIOL, ESTRADIOL RECEPTOR | | 著者 | Ruff, M, Gangloff, M, Eiler, S, Duclaud, S, Wurtz, J.M, Moras, D. | | 登録日 | 1999-08-05 | | 公開日 | 2000-08-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Crystal structure of a mutant hERalpha ligand-binding domain reveals key structural features for the mechanism of partial agonism.
J. Biol. Chem., 276, 2001
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6DDA
 | | Nurr1 Covalently Modified by a Dopamine Metabolite | | 分子名称: | 5-hydroxy-1,2-dihydro-6H-indol-6-one, BROMIDE ION, Nuclear receptor subfamily 4 group A member 2, ... | | 著者 | Bruning, J.M, Wang, Y, Otrabella, F, Boxue, T, Liu, H, Bhattacharya, P, Guo, S, Holton, J.M, Fletterick, R.J, Jacobson, M.P, England, P.M. | | 登録日 | 2018-05-09 | | 公開日 | 2019-03-20 | | 最終更新日 | 2019-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Covalent Modification and Regulation of the Nuclear Receptor Nurr1 by a Dopamine Metabolite.
Cell Chem Biol, 26, 2019
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2YLY
 | | Sulfonamides as selective Estrogen Receptor beta Agonists. | | 分子名称: | ESTROGEN RECEPTOR BETA, N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide, SULFATE ION | | 著者 | Roberts, L.R, Armour, D, Barker, C, Bazin, R, Bess, K, Brown, A, Favor, D, Ellis, D, MacKenny, M, Pullen, N, Stennett, A, Strand, L, Styles, M, Phillips, C. | | 登録日 | 2011-06-06 | | 公開日 | 2012-06-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Sulfonamides as Selective Oestrogen Receptor Beta Agonists.
Bioorg.Med.Chem.Lett., 21, 2011
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6L96
 | | Structure of PPARalpha-LBD/pemafibrate/SRC1 peptide | | 分子名称: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, Peroxisome proliferator-activated receptor alpha, SRC1 coactivator peptide | | 著者 | Kawasaki, M, Kambe, A, Yamamoto, Y, Arulmozhira, S, Ito, S, Nakagawa, Y, Tokiwa, H, Nakano, S, Shimano, H. | | 登録日 | 2019-11-08 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Elucidation of Molecular Mechanism of a Selective PPAR alpha Modulator, Pemafibrate, through Combinational Approaches of X-ray Crystallography, Thermodynamic Analysis, and First-Principle Calculations.
Int J Mol Sci, 21, 2020
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7WOX
 | | PPARgamma antagonist (MMT-160)- PPARgamma LBD complex | | 分子名称: | N-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide, Peroxisome proliferator-activated receptor gamma | | 著者 | Yoshizawa, M, Aoyama, T, Itoh, T, Miyachi, H. | | 登録日 | 2022-01-22 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Arylalkynyl amide-type peroxisome proliferator-activated receptor gamma (PPAR gamma )-selective antagonists covalently bind to the PPAR gamma ligand binding domain with a unique binding mode.
Bioorg.Med.Chem.Lett., 64, 2022
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3DZU
 | | Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with BVT.13, 9-cis Retinoic Acid and NCOA2 Peptide | | 分子名称: | (9cis)-retinoic acid, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, DNA (5'-D(*DCP*DAP*DAP*DAP*DCP*DTP*DAP*DGP*DGP*DTP*DCP*DAP*DAP*DAP*DGP*DGP*DTP*DCP*DAP*DG)-3'), ... | | 著者 | Chandra, V, Huang, P, Hamuro, Y, Raghuram, S, Wang, Y, Burris, T.P, Rastinejad, F. | | 登録日 | 2008-07-30 | | 公開日 | 2008-10-28 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure of the intact PPAR-gamma-RXR- nuclear receptor complex on DNA.
Nature, 456, 2008
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7E2O
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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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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
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1VJB
 | | crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen | | 分子名称: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma | | 著者 | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | | 登録日 | 2004-02-03 | | 公開日 | 2004-06-08 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity.
J.Biol.Chem., 279, 2004
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3HC6
 | | FXR with SRC1 and GSK088 | | 分子名称: | 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | 著者 | Williams, S.P, Madauss, K.P. | | 登録日 | 2009-05-05 | | 公開日 | 2009-07-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
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6VSW
 | | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt | | 分子名称: | 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C | | 著者 | Spurlino, J, Milligan, C. | | 登録日 | 2020-02-12 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.202 Å) | | 主引用文献 | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
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4ZO1
 | | Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha | | 分子名称: | 3,5,3'TRIIODOTHYRONINE, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha, ... | | 著者 | Bruning, J.B, Kojetin, D.J, Matta-Camacho, E, Hughes, T.S, Srinivasan, S, Nwachukwu, J.C, Cavett, V, Nowak, J, Chalmers, M.J, Marciano, D.P, Kamenecka, T.M, Rance, M, Shulman, A.I, Mangelsdorf, D.J, Griffin, P.R, Nettles, K.W. | | 登録日 | 2015-05-05 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.221 Å) | | 主引用文献 | Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.
Nat Commun, 6, 2015
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8FFW
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3A2I
 | | Crystal structure of the human vitamin D receptor (H305F) ligand binding domain complexed with TEI-9647 | | 分子名称: | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one, Vitamin D3 receptor | | 著者 | Kakuda, S, Takimoto-Kamimura, M. | | 登録日 | 2009-05-20 | | 公開日 | 2010-05-26 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.27 Å) | | 主引用文献 | Structural basis of the histidine-mediated vitamin D receptor agonistic and antagonistic mechanisms of (23S)-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactone
Acta Crystallogr.,Sect.D, 66, 2010
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7PDT
 | | Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with BMS649 and a coactivator fragment | | 分子名称: | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | le Maire, A, Bourguet, W, Guee, L. | | 登録日 | 2021-08-07 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
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6L36
 | | X-ray structure of human PPARalpha ligand binding domain-GW9662-fenofibric acid co-crystals obtained by delipidation and co-crystallization | | 分子名称: | 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha | | 著者 | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | | 登録日 | 2019-10-09 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.301 Å) | | 主引用文献 | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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4OJ9
 | | Crystal structure of T877A-AR-LBD bound with co-regulator peptide | | 分子名称: | Androgen receptor, GLYCEROL, HYDROXYFLUTAMIDE, ... | | 著者 | Liu, J.S, Hsu, C.L, Wu, W.G. | | 登録日 | 2014-01-20 | | 公開日 | 2014-08-20 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | | 主引用文献 | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
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