PDB: 1830 件ウェブページステータス検索Chemie searchBIRD

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2G0G	Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities 分子名称: 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma 著者 Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y. 登録日 2006-02-13 公開日 2006-05-16 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.54 Å) 主引用文献 Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities J.Med.Chem., 49, 2006
1WM0	PPARgamma in complex with a 2-BABA compound 分子名称: 14-mer from Nuclear receptor coactivator 2, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome proliferator activated receptor gamma 著者 Ostberg, T, Svensson, S, Selen, G, Uppenberg, J, Thor, M, Sundbom, M, Sydow-Backman, M, Gustavsson, A.L, Jendeberg, L. 登録日 2004-07-01 公開日 2004-09-07 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 A new class of peroxisome proliferator-activated receptor agonists with a novel binding epitope shows antidiabetic effects J.Biol.Chem., 279, 2004
2G0H	Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities 分子名称: N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma 著者 Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y. 登録日 2006-02-13 公開日 2006-05-16 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities J.Med.Chem., 49, 2006
1UOM	The Structure of Estrogen Receptor in Complex with a Selective and Potent Tetrahydroisochiolin Ligand. 分子名称: 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL, ESTROGEN RECEPTOR 著者 Stark, W, Bischoff, S.F, Buhl, T, Fournier, B, Halleux, C, Kallen, J, Keller, H, Renaud, J. 登録日 2003-04-11 公開日 2003-07-03 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Estrogen Receptor Modulators: Identification and Structure-Activity Relationships of Potent Eralpha-Selective Tetrahydroisoquinoline Ligands J.Med.Chem., 46, 2003
2G44	Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-1M-G and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide 分子名称: 4-[(1S,2R,5S)-4,4,8-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, Greene, G.L. 登録日 2006-02-21 公開日 2007-01-09 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Discovery and characterization of novel estrogen receptor agonist ligands and development of biochips for nuclear receptor drug discovery Thesis, 2006
1UPV	Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist 分子名称: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA 著者 Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H. 登録日 2003-10-13 公開日 2004-10-20 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist J.Mol.Biol., 334, 2003
2GPV	Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a SMRT peptide 分子名称: 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma, Nuclear receptor corepressor 2 著者 Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. 登録日 2006-04-18 公開日 2006-09-26 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
1X7J	CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH GENISTEIN 分子名称: Estrogen receptor beta, GENISTEIN, STEROID RECEPTOR COACTIVATOR-1 著者 Manas, E.S, Xu, Z.B, Unwalla, R.J, Somers, W.S. 登録日 2004-08-14 公開日 2005-03-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Understanding the Selectivity of Genistein for Human Estrogen Receptor-Beta Using X-Ray Crystallography and Computational Methods Structure, 12, 2004
2HAS	Crystal structure of VDR LBD in complex with 2alpha-(1-propoxy) calcitriol 分子名称: 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor 著者 Hourai, S, Rochel, N, Moras, D. 登録日 2006-06-13 公開日 2006-08-29 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues J.Med.Chem., 49, 2006
2HB8	Crystal structure of VDR LBD in complex with 2alpha-methyl calcitriol 分子名称: 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3, Vitamin D3 receptor 著者 Hourai, S, Rochel, N, Moras, D. 登録日 2006-06-14 公開日 2006-08-29 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues J.Med.Chem., 49, 2006
1U3Q	Crystal Structure of Estrogen Receptor beta complexed with CL-272 分子名称: 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor beta 著者 Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A. 登録日 2004-07-22 公開日 2005-07-26 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands. J.Med.Chem., 47, 2004
2GPP	Estrogen Related Receptor-gamma ligand binding domain complexed with a RIP140 peptide and synthetic ligand GSK4716 分子名称: 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 著者 Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. 登録日 2006-04-18 公開日 2006-09-26 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
1XB7	X-ray structure of ERRalpha LBD in complex with a PGC-1alpha peptide at 2.5A resolution 分子名称: IODIDE ION, Peroxisome proliferator activated receptor gamma coactivator 1 alpha, Steroid hormone receptor ERR1 著者 Kallen, J, Schlaeppi, J.M, Bitsch, F, Filipuzzi, I, Schilb, A, Riou, V, Graham, A, Strauss, A, Geiser, M, Fournier, B. 登録日 2004-08-30 公開日 2004-09-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Evidence for Ligand-independent Transcriptional Activation of the Human Estrogen-related Receptor {alpha} (ERR{alpha}): CRYSTAL STRUCTURE OF ERR{alpha} LIGAND BINDING DOMAIN IN COMPLEX WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR COACTIVATOR-1{alpha} J.Biol.Chem., 279, 2004
2FAI	Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-2M and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide 分子名称: 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-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, Greene, G.L. 登録日 2005-12-07 公開日 2006-05-09 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.1 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
1X7B	CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041 分子名称: 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 著者 Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. 登録日 2004-08-13 公開日 2005-03-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based Design of Estrogen Receptor-Beta Selective Ligands J.Am.Chem.Soc., 126, 2004
1XAP	Structure of the ligand binding domain of the Retinoic Acid Receptor beta 分子名称: 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID, Retinoic acid receptor beta 著者 Germain, P, Kammerer, S, Peluso-Iltis, C, Tortolani, D, Zusi, F.C, Starrett, J, Lapointe, P, Daris, J.P, Marinier, A, De Lera, A.R, Rochel, N, Gronemeyer, H. 登録日 2004-08-26 公開日 2004-11-16 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Rational design of RAR-selective ligands revealed by RARbeta crystal structure Embo Rep., 5, 2004
1XDK	Crystal Structure of the RARbeta/RXRalpha Ligand Binding Domain Heterodimer in Complex with 9-cis Retinoic Acid and a Fragment of the TRAP220 Coactivator 分子名称: (9cis)-retinoic acid, Retinoic acid receptor RXR-alpha, Retinoic acid receptor, ... 著者 Pogenberg, V, Guichou, J.F, Vivat-Hannah, V, Kammerer, S, Perez, E, Germain, P, De Lera, A.R, Gronemeyer, H, Royer, C.A, Bourguet, W. 登録日 2004-09-07 公開日 2004-11-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 CHARACTERIZATION OF THE INTERACTION BETWEEN RAR/RXR HETERODIMERS AND TRANSCRIPTIONAL COACTIVATORS THROUGH STRUCTURAL AND FLUORESCENCE ANISOTROPY STUDIES J.Biol.Chem., 280, 2005
2H77	Crystal structure of human TR alpha bound T3 in monoclinic space group 分子名称: 3,5,3'TRIIODOTHYRONINE, THRA protein 著者 Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Bleicher, L, Ambrosio, A.L.B, Figueira, A.C.M, Santos, M.A.M, Neto, M.O, Fischer, H, Togashi, H.F.M, Craievich, A.F, Garrat, R.C, Baxter, J.D, Webb, P, Polikarpov, I. 登録日 2006-06-01 公開日 2006-07-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function. J.Mol.Biol., 360, 2006
2HBH	Crystal structure of Vitamin D nuclear receptor ligand binding domain bound to a locked side-chain analog of calcitriol and SRC-1 peptide 分子名称: 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z), ... 著者 Rochel, N, Hourai, S, Moras, D. 登録日 2006-06-14 公開日 2007-05-01 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Crystal structure of the vitamin D nuclear receptor ligand binding domain in complex with a locked side chain analog of calcitriol Arch.Biochem.Biophys., 460, 2007
2HC4	Crystal structure of the LBD of VDR of Danio rerio in complex with calcitriol 分子名称: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, SRC-1 from Nuclear receptor coactivator 1, Vitamin D receptor 著者 Ciesielski, F, Rochel, N, Moras, D. 登録日 2006-06-15 公開日 2007-05-01 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation J.Steroid Biochem.Mol.Biol., 103, 2007
2HCD	Crystal structure of the ligand binding domain of the Vitamin D nuclear receptor in complex with Gemini and a coactivator peptide 分子名称: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... 著者 Ciesielski, F, Rochel, N, Moras, D. 登録日 2006-06-16 公開日 2007-05-01 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation J.Steroid Biochem.Mol.Biol., 103, 2007
2GIU	Human estrogen receptor beta ligand-binding domain in complex with compound 45 分子名称: (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one, Estrogen receptor beta 著者 Fitzgerald, P.M.D, Sharma, N. 登録日 2006-03-29 公開日 2006-10-10 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands. Bioorg.Med.Chem.Lett., 16, 2006
2GPO	Estrogen Related Receptor-gamma ligand binding domain complexed with a synthetic peptide from RIP140 分子名称: Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 著者 Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. 登録日 2006-04-18 公開日 2006-09-26 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
1UPW	Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist 分子名称: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA 著者 Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H. 登録日 2003-10-13 公開日 2004-10-20 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist J.Mol.Biol., 334, 2003
2HAM	Crystal structure of VDR LBD complexed to 2alpha-propyl-calcitriol 分子名称: 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor 著者 Hourai, S, Rochel, N, Moras, D. 登録日 2006-06-13 公開日 2006-08-29 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues J.Med.Chem., 49, 2006

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