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3RLL
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Crystal structure of the T877A androgen receptor ligand binding domain in complex with (S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanonaphthalen-1-yloxy)-2-hydroxy-2-methylpropanamide
分子名称: (2S)-3-[(4-cyanonaphthalen-1-yl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Duke, C.B, Jones, A, Dalton, J.T, Miller, D.D.
登録日2011-04-19
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.
J.Med.Chem., 54, 2011
3OMQ
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Fragment-Based Design of novel Estrogen Receptor Ligands
分子名称: 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
登録日2010-08-27
公開日2011-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
3OOF
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Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
分子名称: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
著者Rudolph, M.G.
登録日2010-08-31
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
3R8D
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BU of 3r8d by Molmil
Activation of the Human Nuclear Xenobiotic Receptor PXR by the Reverse Transcriptase-Targeted Anti-HIV Drug PNU-142721
分子名称: 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE, Nuclear receptor subfamily 1 group I member 2
著者Cheng, Y, Redinbo, M.R.
登録日2011-03-23
公開日2011-08-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Activation of the human nuclear xenobiotic receptor PXR by the reverse transcriptase-targeted anti-HIV drug PNU-142721.
Protein Sci., 20, 2011
3R8I
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Crystal Structure of PPARgamma with an achiral ureidofibrate derivative (RT86)
分子名称: 2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Loiodice, F, Laghezza, A, Fracchiolla, G, Lavecchia, A, Novellino, E, Crestani, M.
登録日2011-03-24
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis, characterization and biological evaluation of ureidofibrate-like derivatives endowed with peroxisome proliferator-activated receptor activity.
J.Med.Chem., 55, 2012
3RLJ
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BU of 3rlj by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22
分子名称: (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Duke, C.B, Jones, A, Dalton, J.T, Miller, D.D.
登録日2011-04-19
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.
J.Med.Chem., 54, 2011
3OLL
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BU of 3oll by Molmil
Crystal structure of phosphorylated estrogen receptor beta ligand binding domain
分子名称: ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Moecklinghoff, S, Rose, R, Ottmann, C, Brunsveld, L.
登録日2010-08-26
公開日2010-11-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain.
Chembiochem, 11, 2010
3OMP
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Fragment-Based Design of novel Estrogen Receptor Ligands
分子名称: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
登録日2010-08-27
公開日2011-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
3OZJ
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BU of 3ozj by Molmil
Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1
分子名称: (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate, Retinoic acid receptor RXR-alpha, SRC-1, ...
著者Zhang, H, Li, L, Chen, L, Hu, L, Shen, X.
登録日2010-09-25
公開日2011-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure basis of bigelovin as a selective RXR agonist with a distinct binding mode
J.Mol.Biol., 407, 2011
3P0U
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Crystal Structure of the ligand binding domain of human testicular receptor 4
分子名称: Nuclear receptor subfamily 2 group C member 2
著者Zhou, X.E, Suino-Powell, K.M, Xu, Y, Chan, C.-W, Kruse, S.W, Reynolds, R, Engel, J.D, Xu, H.E.
登録日2010-09-29
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Orphan Nuclear Receptor TR4 Is a Vitamin A-activated Nuclear Receptor.
J.Biol.Chem., 286, 2011
3OKH
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Crystal structure of human FXR in complex with 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid
分子名称: 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
著者Rudolph, M.G.
登録日2010-08-25
公開日2010-12-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes
Bioorg.Med.Chem.Lett., 21, 2010
3P8X
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Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18
分子名称: (1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol, SULFATE ION, Vitamin D3 receptor
著者Rochel, N, Sato, Y, Moras, D.
登録日2010-10-15
公開日2011-08-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1 ,25-Dihydroxyvitamin D3 with Substituents at C-18
Chemmedchem, 6, 2011
3R29
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Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2
分子名称: Nuclear receptor corepressor 2, Retinoic acid receptor RXR-alpha
著者Zhang, H, Chen, L, Chen, J, Jiang, H, Shen, X.
登録日2011-03-14
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for retinoic x receptor repression on the tetramer.
J.Biol.Chem., 286, 2011
3R2A
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BU of 3r2a by Molmil
Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 and antagonist rhein
分子名称: 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Nuclear receptor corepressor 2, Retinoic acid receptor RXR-alpha
著者Zhang, H, Chen, L, Chen, J, Jiang, H, Shen, X.
登録日2011-03-14
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for retinoic x receptor repression on the tetramer.
J.Biol.Chem., 286, 2011
3R8A
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X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity
分子名称: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine, Peroxisome proliferator-activated receptor gamma
著者Ohren, J.F.
登録日2011-03-23
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-gamma.
J.Med.Chem., 54, 2011
3RVF
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FXR with SRC1 and GSK2034
分子名称: 5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2011-05-06
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
3RUU
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FXR with SRC1 and GSK237
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2011-05-05
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
1YMT
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BU of 1ymt by Molmil
Mouse SF-1 LBD
分子名称: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, Nuclear receptor 0B2, Steroidogenic factor 1
著者Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, Juzumiene, D, Bynum, J.M, Fletterick, R.J, Willson, T.M, Ingraham, H.A.
登録日2005-01-21
公開日2005-03-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
5NTI
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BU of 5nti by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
分子名称: ASN-SER-HIS-GLN-LYS-VAL-THR-LEU-LEU-GLN-LEU-LEU-LEU-GLY-HIS-LYS-ASN-GLU-GLU-ASN, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Nuclear receptor ROR-gamma
著者Kallen, J.
登録日2017-04-28
公開日2017-06-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
1YP0
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Structure of the steroidogenic factor-1 ligand binding domain bound to phospholipid and a SHP peptide motif
分子名称: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0, group B, ...
著者Li, Y, Choi, M, Cavey, G, Daugherty, J, Suino, K, Kovach, A, Bingham, N, Kliewer, S, Xu, H.
登録日2005-01-28
公開日2005-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallographic identification and functional characterization of phospholipids as ligands for the orphan nuclear receptor steroidogenic factor-1.
Mol.Cell, 17, 2005
1YOW
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human Steroidogenic Factor 1 LBD with bound Co-factor Peptide
分子名称: PHOSPHATIDYL ETHANOL, Steroidogenic factor 1, TIF2 peptide
著者Krylova, I.N, Sablin, E.P, Xu, R.X, Waitt, G.M, Juzumiene, D, Williams, J.D, Ingraham, H.A, Willson, T.M, Williams, S.P, Montana, V, Madauss, K.P, Moore, J, Bynum, J.M, Lebedeva, L, MacKay, J.A, Suzawa, M, Guy, R.K, Thornton, J.W.
登録日2005-01-28
公開日2005-05-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
5NTN
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Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
分子名称: (5R,10S,13R,14R,17R)-17-((R,E)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,7(4H)-dione, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
著者Kallen, J.
登録日2017-04-28
公開日2017-06-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
1YY4
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Crystal structure of estrogen receptor beta complexed with 1-chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
分子名称: 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1
著者Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
登録日2005-02-23
公開日2006-02-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity
J.Med.Chem., 48, 2005
1Z95
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Crystal Structure of the Androgen Receptor Ligand-binding Domain W741L Mutant Complex with R-bicalutamide
分子名称: Androgen Receptor, R-BICALUTAMIDE, SULFATE ION
著者Bohl, C.E, Gao, W, Miller, D.D, Bell, C.E, Dalton, J.T.
登録日2005-03-31
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for antagonism and resistance of bicalutamide in prostate cancer.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1ZKY
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Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-3M and A Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide
分子名称: 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2
著者Rajan, S.S, Hsieh, R.W, Sharma, S.K, Hahm, J.B, Nettles, K.W, Greene, G.L.
登録日2005-05-04
公開日2006-05-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity.
J.Biol.Chem., 281, 2006

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