3OSW
 
 | | Crystal structure of PPARgamma ligand binding domain in complex with tetrabromo-bisphenol A (TBBPA) | | 分子名称: | 4,4'-propane-2,2-diylbis(2,6-dibromophenol), Peroxisome proliferator-activated receptor gamma, S-1,2-PROPANEDIOL | | 著者 | le Maire, A, Bourguet, W. | | 登録日 | 2010-09-10 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Peroxisome proliferator-activated receptor Gamma is a target for halogenated analogs of bisphenol A.
Environ.Health Perspect., 119, 2011
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3K8S
 | | Crystal Structure of PPARg in complex with T2384 | | 分子名称: | 2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide, Peroxisome proliferator-activated receptor gamma | | 著者 | Wang, Z. | | 登録日 | 2009-10-14 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | T2384, a novel antidiabetic agent with unique peroxisome proliferator-activated receptor gamma binding properties
J.Biol.Chem., 283, 2008
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6JQ7
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7AXB
 | | Crystal structure of the hPXR-LBD in complex with endosulfan | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Nuclear receptor subfamily 1 group I member 2, ... | | 著者 | Huet, T, Delfosse, V, Bourguet, W. | | 登録日 | 2020-11-09 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AXH
 | | Crystal structure of the hPXR-LBD in complex with alpha-zearalanol | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | | 著者 | Huet, T, Delfosse, V, Bourguet, W. | | 登録日 | 2020-11-09 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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2VV0
 | | hPPARgamma Ligand binding domain in complex with DHA | | 分子名称: | DOCOSA-4,7,10,13,16,19-HEXAENOIC 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 (2.55 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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3S9S
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7JYE
 | | Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 | | 分子名称: | 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | 著者 | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | | 登録日 | 2020-08-30 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.551 Å) | | 主引用文献 | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
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9EYR
 | | VDR complex with gemini analog UG-480 | | 分子名称: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 著者 | Rochel, N. | | 登録日 | 2024-04-09 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.
J.Med.Chem., 67, 2024
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8ZFS
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7WMO
 | | A novel chemical derivative(92) of THRB agonist | | 分子名称: | 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2022-01-15 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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6BNS
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES | | 分子名称: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera | | 著者 | DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H. | | 登録日 | 2017-11-17 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
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7KRJ
 | | The GR-Maturation Complex: Glucocorticoid Receptor in complex with Hsp90 and co-chaperone p23 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... | | 著者 | Noddings, C.M, Wang, Y.-R, Agard, D.A. | | 登録日 | 2020-11-20 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | | 主引用文献 | Structure of Hsp90-p23-GR reveals the Hsp90 client-remodelling mechanism.
Nature, 601, 2021
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2ZK4
 | | Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with 15-oxo-eicosatetraenoic acid | | 分子名称: | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid, 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 (2.57 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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7WMN
 | | A novel chemical derivative(89) of THRB agonist | | 分子名称: | 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2022-01-15 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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7XQE
 | | Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039 | | 分子名称: | 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ... | | 著者 | Wu, X, Li, C, Zhang, Y, Xu, Y. | | 登録日 | 2022-05-07 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.
Acta Pharmacol.Sin., 2024
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6KKE
 | | THRb mutation with a novel agonist | | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2019-07-25 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.577 Å) | | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
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5EJV
 | | RORy in complex with T090131718 and Coactivator peptide EBI96 | | 分子名称: | EBI96 Coactivator Peptide, N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma | | 著者 | Marcotte, D.M. | | 登録日 | 2015-11-02 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of biaryls as ROR gamma inverse agonists by using structure-based design.
Bioorg.Med.Chem.Lett., 26, 2016
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4XAO
 | | Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Delfosse, V, Huet, T, Bourguet, W. | | 登録日 | 2014-12-15 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
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2PIW
 | | Androgen receptor with small molecule | | 分子名称: | 3,5,3'TRIIODOTHYRONINE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor | | 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 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.58 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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5IAW
 | | Novel natural FXR modulator with a unique binding mode | | 分子名称: | (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | | 著者 | Lu, Y, Li, Y. | | 登録日 | 2016-02-22 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
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5G43
 | | Ligand complex of RORg LBD | | 分子名称: | 2-(1-PIPERIDINYL)-1,3-THIAZOL-4-AMINE, NUCLEAR RECEPTOR ROR-GAMMA, RORG | | 著者 | Xue, Y, Guo, H, Hillertz, P. | | 登録日 | 2016-05-04 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
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2ZK3
 | | Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with 8-oxo-eicosatetraenoic acid | | 分子名称: | (5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid, 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 (2.58 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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8DAF
 | | Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | | 分子名称: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | | 著者 | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | | 登録日 | 2022-06-13 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
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6FO7
 | | Vitamin D nuclear receptor complex 3 | | 分子名称: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 著者 | Rochel, N. | | 登録日 | 2018-02-06 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
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