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

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1OT7	Structural Basis for 3-deoxy-CDCA Binding and Activation of FXR 分子名称: 6-ETHYL-CHENODEOXYCHOLIC ACID, Bile Acid Receptor, ISO-URSODEOXYCHOLIC ACID, ... 著者 Mi, L.Z, Devarakonda, S, Harp, J.M, Han, Q, Pellicciari, R, Willson, T.M, Khorasanizadeh, S, Rastinejad, F. 登録日 2003-03-21 公開日 2004-03-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR Mol.Cell, 11, 2003
6C42	Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1156 分子名称: (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol, Estrogen receptor 著者 Fanning, S.W, Hodges-Gallager, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. 登録日 2018-01-11 公開日 2018-02-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.997 Å) 主引用文献 Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity. Nat Commun, 9, 2018
1S0Z	Crystal structure of the VDR LBD complexed to seocalcitol. 分子名称: SEOCALCITOL, Vitamin D3 receptor 著者 Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Moras, D. 登録日 2004-01-05 公開日 2004-04-13 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor antagonist by further side chain modification. J.Med.Chem., 47, 2004
1Q4X	Crystal Structure of Human Thyroid Hormone Receptor beta LBD in complex with specific agonist GC-24 分子名称: Thyroid hormone receptor beta-1, [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID 著者 Borngraeber, S, Budny, M.J, Chiellini, G, Cunha-Lima, S.T, Togashi, M, Webb, P, Baxter, J.D, Scanlan, T.S, Fletterick, R.J. 登録日 2003-08-04 公開日 2004-02-03 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Ligand selectivity by seeking hydrophobicity in thyroid hormone receptor. Proc.Natl.Acad.Sci.USA, 100, 2003
1PQ9	HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 COMPLEX 分子名称: 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL, Oxysterols receptor LXR-beta, benzenesulfonic acid 著者 Farnegardh, M, Bonn, T, Sun, S, Ljunggren, J, Ahola, H, Wilhelmsson, A, Gustafsson, J.-A, Carlquist, M. 登録日 2003-06-18 公開日 2003-09-09 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands. J.Biol.Chem., 278, 2003
1S19	Crystal structure of VDR ligand binding domain complexed to calcipotriol. 分子名称: CALCIPOTRIOL, Vitamin D3 receptor 著者 Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Moras, D. 登録日 2004-01-06 公開日 2004-04-13 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor antagonist by further side chain modification. J.Med.Chem., 47, 2004
6BN6	IDENTIFICATION OF BICYCLIC HEXAFLUOROISOPROPYL ALCOHOL SULFONAMIDES AS RORGT/RORC INVERSE AGONISTS 分子名称: 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor ROR-gamma, SULFATE ION 著者 Sack, J. 登録日 2017-11-16 公開日 2017-12-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorg. Med. Chem. Lett., 28, 2018
1S0X	Crystal structure of the human RORalpha ligand binding domain in complex with cholesterol sulfate at 2.2A 分子名称: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Nuclear receptor ROR-alpha 著者 Kallen, J, Schlaeppi, J.M, Bitsch, F, Delhon, I, Fournier, B. 登録日 2004-01-05 公開日 2004-02-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of the human RORalpha Ligand binding domain in complex with cholesterol sulfate at 2.2 A J.Biol.Chem., 279, 2004
6BR2	Structure of RORgt in complex with a novel isoquinoline inverse agonist. 分子名称: (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma 著者 Skene, R.J, Hoffman, I. 登録日 2017-11-29 公開日 2018-03-21 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3.18 Å) 主引用文献 Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist. J. Med. Chem., 61, 2018
1R1K	Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to ponasterone A 分子名称: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone receptor, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ... 著者 Billas, I.M.L, Iwema, T, Garnier, J.-M, Mitschler, A, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE) 登録日 2003-09-24 公開日 2003-11-18 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural adaptability in the ligand-binding pocket of the ecdysone hormone receptor. Nature, 426, 2003
1R6G	Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound 分子名称: 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL, Thyroid hormone receptor beta-1 著者 Hangeland, J.J, Dejneka, T, Friends, T.J, Devasthale, P, Mellstrom, K, Sandberg, J, Grynfarb, M, Doweyko, A.M, Sack, J.S, Einspahr, H, Farnegardh, M, Husman, B, Ljunggren, J, Koehler, K, Sheppard, C, Malm, J, Ryono, D.E. 登録日 2003-10-15 公開日 2005-02-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta. Bioorg.Med.Chem.Lett., 14, 2004
6C1I	Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 分子名称: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid 著者 Shang, J, Fuhrmann, J, Brust, R, Kojetin, D.J. 登録日 2018-01-04 公開日 2018-12-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma. Nat Commun, 9, 2018
6A5Z	Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1 分子名称: (9cis)-retinoic acid, 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ... 著者 Wang, N, Liu, J. 登録日 2018-06-25 公開日 2018-10-10 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding J. Biol. Chem., 293, 2018
5ZWF	Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having a enone with a beta methyl group via conjugate addition reaction 分子名称: (E,7R)-7-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-2-en-4-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor 著者 Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. 登録日 2018-05-15 公開日 2018-07-18 最終更新日 2018-08-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands J. Med. Chem., 61, 2018
6BR3	Structure of RORgt in complex with a novel inverse agonist TAK-828. 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma, {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid 著者 Skene, R.J, Hoffman, I. 登録日 2017-11-29 公開日 2018-03-21 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist. J. Med. Chem., 61, 2018
6C5Q	PPARg LBD bound to SR10171 分子名称: 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Bruning, J.B, Frkic, R.L. 登録日 2018-01-16 公開日 2018-08-01 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.404 Å) 主引用文献 PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix. iScience, 5, 2018
6C5T	PPARg LBD bound to SR11023 分子名称: 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Bruning, J.B, Frkic, R.L, Griffin, P.R. 登録日 2018-01-16 公開日 2018-08-01 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix. iScience, 5, 2018
6CBZ	Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Estradiol and GRIP Peptide 分子名称: ESTRADIOL, Estrogen receptor, GLYCEROL, ... 著者 Fanning, S.W, Greene, G.L. 登録日 2018-02-05 公開日 2018-02-28 最終更新日 2020-02-26 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer. Mol. Pharmacol., 94, 2018
1S9P	crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with diethylstilbestrol 分子名称: DIETHYLSTILBESTROL, Estrogen-related receptor gamma 著者 Greschik, H, Flaig, R, Renaud, J.P, Moras, D. 登録日 2004-02-05 公開日 2004-06-08 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity. J.Biol.Chem., 279, 2004
1SJ0	Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D 分子名称: (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL, Estrogen receptor 著者 Kim, S, Wu, J.Y, Birzin, E.T, Chan, W, Pai, L.Y, Yang, Y.T, Mosley, R.T, Fitzgerald, P.M, Sharma, N, DiNinno, F, Rohrer, S.P, Schaeffer, J.M, Hammond, M.L. 登録日 2004-03-02 公開日 2004-04-27 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Estrogen Receptor Ligands. II. Discovery of Benzoxathiins as Potent, Selective Estrogen Receptor alpha Modulators. J.Med.Chem., 47, 2004
1SKX	Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin 分子名称: Orphan nuclear receptor PXR, RIFAMPICIN 著者 Chrencik, J.E, Xue, Y, Orans, J.O, Redinbo, M.R. 登録日 2004-03-05 公開日 2005-03-08 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural disorder in the complex of human pregnane x receptor and the macrolide antibiotic rifampicin Mol.Endocrinol., 19, 2005
1S9Q	crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen 分子名称: 4-HYDROXYTAMOXIFEN, CHOLIC ACID, Estrogen-related receptor gamma 著者 Greschik, H, Flaig, R, Renaud, J.P, Moras, D. 登録日 2004-02-05 公開日 2004-06-08 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity. J.Biol.Chem., 279, 2004
1SR7	Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate 分子名称: GLYCEROL, MOMETASONE FUROATE, Progesterone receptor, ... 著者 Madauss, K.P, Deng, S.-J, Austin, R.J, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J, Williams, S.P. 登録日 2004-03-22 公開日 2004-06-22 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes J.Med.Chem., 47, 2004
1PZL	Crystal structure of HNF4a LBD in complex with the ligand and the coactivator SRC-1 peptide 分子名称: Hepatocyte nuclear factor 4-alpha, MYRISTIC ACID, steroid receptor coactivator-1 著者 Duda, K, Chi, Y.-I, Dhe-paganon, S, Shoelson, S. 登録日 2003-07-11 公開日 2004-06-01 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Basis for HNF-4alpha Activation by Ligand and Coactivator Binding J.Biol.Chem., 279, 2004
1SQN	Progesterone Receptor Ligand Binding Domain with bound Norethindrone 分子名称: (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one, progesterone receptor 著者 Williams, S.P, Madauss, K.P, Deng, J.-S, Austin, R.J.H, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J. 登録日 2004-03-19 公開日 2004-07-27 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.451 Å) 主引用文献 Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes J.Med.Chem., 47, 2004

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