PDB: 1828 件ウェブページステータス検索Chemie searchBIRD

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4HLW	Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzoimidazole derivatives. 分子名称: 2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole, Androgen receptor, GLYCEROL, ... 著者 Ravi, S.N.M, Leblanc, E, Axerio-Cilies, P, Labriere, C, Frewin, K, Hassona, M.D.H, Lack, N.A, Han, F.Q, Guns, E.S, Young, R, Ban, F, Rennie, P.S, Cherkasov, A. 登録日 2012-10-17 公開日 2013-01-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Targeting the Binding Function 3 (BF3) Site of the Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole Derivatives. J.Med.Chem., 56, 2013
4HEE	Crystal structure of PPARgamma in complex with compound 13 分子名称: 5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma 著者 Han, S. 登録日 2012-10-03 公開日 2013-08-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-gamma Bioorg.Med.Chem.Lett., 23, 2013
4G2I	Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor 分子名称: (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Vitamin D3 receptor 著者 Ciesielski, F, Sato, Y, Moras, D, Rochel, N. 登録日 2012-07-12 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
4G2H	Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor 分子名称: (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A 著者 Ciesielski, F, Sato, Y, Moras, D, Rochel, N. 登録日 2012-07-12 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
4G21	Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor 分子名称: 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A 著者 Ciesielski, F, Sato, Y, Moras, D, Rochel, N. 登録日 2012-07-11 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
4G20	Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor 分子名称: 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A 著者 Ciesielski, F, Sato, Y, Moras, D, Rochel, N. 登録日 2012-07-11 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
4G1Z	Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor 分子名称: 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A 著者 Ciesielski, F, Sato, Y, Moras, D, Rochel, N. 登録日 2012-07-11 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
4G1Y	Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor 分子名称: (4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A 著者 Ciesielski, F, Sato, Y, Moras, D, Rochel, N. 登録日 2012-07-11 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
4G1D	Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor 分子名称: 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A 著者 Ciesielski, F, Sato, Y, Moras, D, Rochel, N. 登録日 2012-07-10 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
4FHI	Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition 分子名称: N-hydroxy-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, SRC-1, Vitamin Nuclear Receptor 著者 Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. 登録日 2012-06-06 公開日 2012-09-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition. Chem.Biol., 19, 2012
4FHH	Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition 分子名称: N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, Nuclear receptor coactivator 2, Vitamin D3 receptor A 著者 Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. 登録日 2012-06-06 公開日 2012-09-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition. Chem.Biol., 19, 2012
4FGY	Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity 分子名称: (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma 著者 Wang, R, Li, Y. 登録日 2012-06-05 公開日 2013-03-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.84 Å) 主引用文献 Identification of the antibiotic ionomycin as an unexpected peroxisome proliferator-activated receptor Gamma (PPAR-gamma) ligand with a unique binding mode and effective glucose-lowering activity in a mouse model of diabetes. Diabetologia, 56, 2013
4F9M	Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator 分子名称: (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peroxisome proliferator-activated receptor gamma, peptide from Nuclear receptor coactivator 1 著者 Matsui, Y, Hanzawa, H. 登録日 2012-05-19 公開日 2012-08-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Synthesis and biological evaluation of novel (-)-cercosporamide derivatives as potent selective PPARg modulators Eur.J.Med.Chem., 54, 2012
4EMA	Human peroxisome proliferator-activated receptor gamma in complex with rosiglitazone 分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Peroxisome proliferator-activated receptor gamma 著者 Liberato, M.V, Nascimento, A.S, Polikarpov, I. 登録日 2012-04-11 公開日 2013-03-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.545 Å) 主引用文献 Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists Plos One, 7, 2012
4EM9	Human PPAR gamma in complex with nonanoic acids 分子名称: 3,3',3''-phosphanetriyltripropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... 著者 Liberato, M.V, Nascimento, A.S, Polikarpov, I. 登録日 2012-04-11 公開日 2013-03-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists Plos One, 7, 2012
4E4Q	Crystal structure of PPARgamma with the ligand FS214 分子名称: (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E. 登録日 2012-03-13 公開日 2013-01-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression. J.Med.Chem., 56, 2013
4E4K	Crystal Structure of PPARgamma with the ligand JO21 分子名称: (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E. 登録日 2012-03-13 公開日 2013-01-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression. J.Med.Chem., 56, 2013
4DQM	Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity 分子名称: (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha 著者 Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y. 登録日 2012-02-16 公開日 2012-10-03 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells. Biochem.J., 446, 2012
4DOS	Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to DLPC and a Fragment of TIF-2 分子名称: DIUNDECYL PHOSPHATIDYL CHOLINE, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2, ... 著者 Musille, P.M, Ortlund, E.A. 登録日 2012-02-10 公開日 2012-04-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation. Nat.Struct.Mol.Biol., 19, 2012
4DOR	Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human SHP Box1 分子名称: L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0 group B member 2, Nuclear receptor subfamily 5 group A member 2 著者 Musille, P.M, Ortlund, E.A. 登録日 2012-02-10 公開日 2012-04-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation. Nat.Struct.Mol.Biol., 19, 2012
4DMA	Crystal structure of ERa LBD in complex with RU100132 分子名称: 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol, Estrogen receptor, Nuclear receptor coactivator 1 著者 Osz, J, Brelivet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D. 登録日 2012-02-07 公開日 2012-03-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors. Proc.Natl.Acad.Sci.USA, 109, 2012
4DM8	Crystal structure of RARb LBD in complex with 9cis retinoic acid 分子名称: Nuclear receptor coactivator 1, RETINOIC ACID, Retinoic acid receptor beta 著者 Osz, J, Br livet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D. 登録日 2012-02-07 公開日 2012-03-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors. Proc.Natl.Acad.Sci.USA, 109, 2012
4DM6	Crystal structure of RARb LBD homodimer in complex with TTNPB 分子名称: 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID, Nuclear receptor coactivator 1, Retinoic acid receptor beta 著者 Osz, J, Brelivet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D. 登録日 2012-02-07 公開日 2012-03-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors. Proc.Natl.Acad.Sci.USA, 109, 2012
4DK8	Crystal structure of LXR ligand binding domain in complex with partial agonist 5 分子名称: ACETATE ION, CALCIUM ION, N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide, ... 著者 Piper, D.E, Kopecky, D.J, Xu, H. 登録日 2012-02-03 公開日 2012-03-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Discovery of a new binding mode for a series of liver X receptor agonists. Bioorg.Med.Chem.Lett., 22, 2012
4DK7	Crystal structure of LXR ligand binding domain in complex with full agonist 1 分子名称: ACETATE ION, CALCIUM ION, N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide, ... 著者 Piper, D.E, Xu, H. 登録日 2012-02-03 公開日 2012-03-21 最終更新日 2012-05-09 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Discovery of a new binding mode for a series of liver X receptor agonists. Bioorg.Med.Chem.Lett., 22, 2012

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