4LNX
| Crystal structure of TR-alpha bound to T4 in a second site | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor alpha | Authors: | Puhl, A.C, Aparicio, R, Polikarpov, I. | Deposit date: | 2013-07-12 | Release date: | 2014-03-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Identification of a new hormone-binding site on the surface of thyroid hormone receptor. Mol.Endocrinol., 28, 2014
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3WFF
| Mineralocorticoid receptor ligand-binding domain with compound 2b | Descriptor: | 6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor, PHOSPHATE ION | Authors: | Sogabe, S, Habuka, N. | Deposit date: | 2013-07-19 | Release date: | 2013-08-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists. Bioorg.Med.Chem., 21, 2013
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3WFG
| Mineralocorticoid receptor ligand-binding domain with compuond 2e | Descriptor: | 1,2-ETHANEDIOL, 6-[(2S)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | Authors: | Sogabe, S, Habuka, N. | Deposit date: | 2013-07-19 | Release date: | 2013-08-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists. Bioorg.Med.Chem., 21, 2013
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4LSJ
| Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Bound to a Dibenzoxapine Sulfonamide | Descriptor: | D30 peptide, Glucocorticoid receptor, N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide | Authors: | Carson, M, Luz, J.G, Clawson, D, Coghlan, M. | Deposit date: | 2013-07-22 | Release date: | 2014-01-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 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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3WGP
| Crystal Structure Analysis of Vitamin D receptor | Descriptor: | (1R,2R,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol, Vitamin D3 receptor | Authors: | Itoh, S, Iijima, S. | Deposit date: | 2013-08-07 | Release date: | 2014-08-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure Analysis of Vitamin D receptor to be published
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4M8H
| CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (R)4-METHYL 9cUAB30 AND COACTIVATOR PEPTIDE GRIP-1 | Descriptor: | (2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | Deposit date: | 2013-08-13 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention. Bioorg.Med.Chem., 22, 2014
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4M8E
| CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (S) 4-Methyl 9cUAB30 COACTIVATOR PEPTIDE GRIP-1 | Descriptor: | (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | Deposit date: | 2013-08-13 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention. Bioorg.Med.Chem., 22, 2014
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4MDD
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4MGA
| Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol | Descriptor: | 4-(2,4,4-trimethylpentan-2-yl)phenol, Estrogen receptor, Nuclear receptor coactivator 1 | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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4MG8
| Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalanol | Descriptor: | 1,2-ETHANEDIOL, Estrogen receptor, GLYCEROL, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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4MG9
| Crystal structure of hERa-LBD (Y537S) in complex with butylparaben | Descriptor: | Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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4MG7
| Crystal structure of hERa-LBD (Y537S) in complex with ferutinine | Descriptor: | 1,2-ETHANEDIOL, Estrogen receptor, Nuclear receptor coactivator 1, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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4MGD
| Crystal structure of hERa-LBD (Y537S) in complex with HPTE | Descriptor: | 1,2-ETHANEDIOL, 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol, Estrogen receptor, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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4MGC
| Crystal structure of hERa-LBD (Y537S) in complex with benzophenone-2 | Descriptor: | Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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4MG6
| Crystal structure of hERa-LBD (Y537S) in complex with benzylbutylphtalate | Descriptor: | Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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4MG5
| Crystal structure of hERa-LBD (Y537S) in complex with chlordecone | Descriptor: | Estrogen receptor, GLYCEROL, Nuclear receptor coactivator 1, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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4MGB
| Crystal structure of hERa-LBD (Y537S) in complex with TCBPA | Descriptor: | 4,4'-propane-2,2-diylbis(2,6-dichlorophenol), Estrogen receptor, GLYCEROL, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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4N1Y
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3WJ4
| Crystal structure of PPARgamma ligand binding domain in complex with tributyltin | Descriptor: | Peroxisome proliferator-activated receptor gamma, tributylstannanyl | Authors: | Harada, S, Hiromori, Y, Fukakusa, S, Kawahara, K, Nakamura, S, Noda, M, Uchiyama, S, Fukui, K, Nishikawa, J, Nagase, H, Kobayashi, Y, Ohkubo, T, Yoshida, T, Nakanishi, T. | Deposit date: | 2013-10-04 | Release date: | 2014-10-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for PPARgamma transactivation by endocrine disrupting organotin compounds To be Published
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3WJ5
| Crystal structure of PPARgamma ligand binding domain in complex with triphenyltin | Descriptor: | Peroxisome proliferator-activated receptor gamma, triphenylstannanyl | Authors: | Harada, S, Hiromori, Y, Fukakusa, S, Kawahara, K, Nakamura, S, Noda, M, Uchiyama, S, Fukui, K, Nishikawa, J, Nagase, H, Kobayashi, Y, Ohkubo, T, Yoshida, T, Nakanishi, T. | Deposit date: | 2013-10-04 | Release date: | 2014-10-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural basis for PPARgamma transactivation by endocrine disrupting organotin compounds To be Published
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4N5G
| Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012 | Descriptor: | 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | Authors: | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | Deposit date: | 2013-10-09 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site. Chem.Biol., 21, 2014
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4N73
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4N8R
| Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008 | Descriptor: | 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | Authors: | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | Deposit date: | 2013-10-17 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site. Chem.Biol., 21, 2014
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4NB6
| Crystal structure of the ligand binding domain of RORC with T0901317 | Descriptor: | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma | Authors: | Hymowitz, S.G, Boenig-de Leon, G. | Deposit date: | 2013-10-22 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-based design of substituted hexafluoroisopropanol-arylsulfonamides as modulators of RORc. Bioorg.Med.Chem.Lett., 23, 2013
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4NIE
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