PDB: 499 件ウェブページステータス検索Chemie searchBIRD

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3Q95	Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol 分子名称: CHLORIDE ION, ESTRIOL, Estrogen receptor, ... 著者 Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L. 登録日 2011-01-07 公開日 2012-01-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and Estriol TO BE PUBLISHED
3PXP	Crystal structure of a PAS and DNA binding domain containing protein (Caur_2278) from CHLOROFLEXUS AURANTIACUS J-10-FL at 2.30 A resolution 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Helix-turn-helix domain protein, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2010-12-10 公開日 2011-01-19 最終更新日 2023-02-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of an MmyB-Like Regulator from C. aurantiacus, Member of a New Transcription Factor Family Linked to Antibiotic Metabolism in Actinomycetes. Plos One, 7, 2012
3PLZ	Human LRH1 LBD bound to GR470 分子名称: (3aS,6aR)-5-[(4E)-oct-4-en-4-yl]-N,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1H)-amine, 1,2-ETHANEDIOL, FTZ-F1 related protein, ... 著者 Williams, S.P, Xu, R, Zuercher, W.J. 登録日 2010-11-15 公開日 2011-03-30 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Small Molecule Agonists of the Orphan Nuclear Receptors Steroidogenic Factor-1 (SF-1, NR5A1) and Liver Receptor Homologue-1 (LRH-1, NR5A2). J.Med.Chem., 54, 2011
3P89	FXR bound to a quinolinecarboxylic acid 分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... 著者 Madauss, K.P, Williams, S.P, Deaton, D.N. 登録日 2010-10-13 公開日 2011-08-31 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
3P88	FXR bound to isoquinolinecarboxylic acid 分子名称: 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... 著者 Madauss, K.P, Williams, S.P, Deaton, D.N. 登録日 2010-10-13 公開日 2011-08-31 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
3OZJ	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
3OOK	Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid 分子名称: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic 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
3OOF	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
3OMQ	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
3OMP	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
3OMO	Fragment-Based Design of novel Estrogen Receptor Ligands 分子名称: 2-(trifluoroacetyl)-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 (2.21 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
3OMM	Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid 分子名称: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1 著者 Rudolph, M.G. 登録日 2010-08-27 公開日 2011-01-19 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.1 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
3OMK	Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide 分子名称: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1 著者 Rudolph, M.G. 登録日 2010-08-27 公開日 2011-01-19 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9 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
3OLS	Crystal structure of estrogen receptor beta ligand binding domain 分子名称: ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1 著者 Moecklinghoff, S, Rose, R, Carraz, M, Visser, A, Ottmann, C, Brunsveld, L. 登録日 2010-08-26 公開日 2010-11-17 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain. Chembiochem, 11, 2010
3OLL	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
3OLF	Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid 分子名称: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1 著者 Rudolph, M.G. 登録日 2010-08-26 公開日 2011-01-19 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9 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
3OKI	Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide 分子名称: (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide, 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 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
3OKH	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
3OAP	Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9-cis retinoic acid and the coactivator peptide GRIP-1 分子名称: (9cis)-retinoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha 著者 Xia, G, Smith, C.D, Muccio, D.D. 登録日 2010-08-05 公開日 2010-11-17 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structure, Energetics and Dynamics of Binding Coactivator Peptide to Human Retinoid X Receptor Alpha Ligand Binding Domain Complex with 9-cis-Retinoic Acid. Biochemistry, 50, 2011
3O1E	Structure-function of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. 分子名称: (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A 著者 Huet, T, Moras, D, Rochel, N. 登録日 2010-07-21 公開日 2011-07-06 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.5001 Å) 主引用文献 Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. Medchemcomm, 2, 2011
3O1D	Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. 分子名称: (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A 著者 Huet, T, Moras, D, Rochel, N. 登録日 2010-07-21 公開日 2011-07-06 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4007 Å) 主引用文献 Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. Medchemcomm, 2, 2011
3LMP	Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator 分子名称: (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma 著者 Matsui, Y, Hanzawa, H. 登録日 2010-01-31 公開日 2010-04-14 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives Bioorg.Med.Chem.Lett., 20, 2010
3L03	Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estetrol (Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol) 分子名称: (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol, CHLORIDE ION, Estrogen receptor, ... 著者 Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L. 登録日 2009-12-09 公開日 2010-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.896 Å) 主引用文献 Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol To be Published
3H82	Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS020 分子名称: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline 著者 Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H. 登録日 2009-04-28 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B J.Am.Chem.Soc., 131, 2009
3H7W	Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS017 分子名称: 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 著者 Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H. 登録日 2009-04-28 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B J.Am.Chem.Soc., 131, 2009

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