PDB: 1801 件ウェブページステータス検索Chemie searchBIRD

---

6Q7A	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole, Nuclear receptor ROR-gamma 著者 Kallen, J. 登録日 2018-12-13 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
6Q2W	Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist 分子名称: (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma 著者 Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. 登録日 2018-12-03 公開日 2019-05-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
6Q6O	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate 著者 Kallen, J. 登録日 2018-12-11 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
6Q7H	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma 著者 Kallen, J. 登録日 2018-12-13 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
6PSJ	Bazedoxifene in Complex with Y537S Estrogen Receptor Alpha Ligand Binding Domain 分子名称: Bazedoxifene, Estrogen receptor 著者 Fanning, S.W, Greene, G.L. 登録日 2019-07-12 公開日 2019-11-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
6QJ5	X-ray structure of PPARgamma LBD with the ligand NV1380 分子名称: (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Pochetti, G, Montanari, R, Capelli, D. 登録日 2019-01-22 公開日 2020-02-05 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities. J.Med.Chem., 63, 2020
6Q6M	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate 著者 Kallen, J. 登録日 2018-12-11 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
6R7A	Ligand complex of RORg LBD 分子名称: LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, SODIUM ION, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2019-03-28 公開日 2019-07-03 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. Acs Med.Chem.Lett., 10, 2019
6R7J	Ligand complex of RORg LBD 分子名称: (2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... 著者 Xue, Y, Aagaard, A, Narjes, F. 登録日 2019-03-29 公開日 2019-07-03 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. Acs Med.Chem.Lett., 10, 2019
6R7K	Ligand complex of RORg LBD 分子名称: (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... 著者 Xue, Y, Aagaard, A, Narjes, F, von Berg, S. 登録日 2019-03-29 公開日 2019-07-03 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2. Acs Med.Chem.Lett., 10, 2019
6V87	Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen 分子名称: 4-HYDROXYTAMOXIFEN, Estrogen receptor 著者 Fanning, S.W, Greene, G.L. 登録日 2019-12-10 公開日 2019-12-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Estrogen Receptor Alpha To Be Published
6VC2	LRH-1 bound to SS-RJW100 and a fragment of the Tif2 Coactivator 分子名称: (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 著者 Mays, S.G, Ortlund, E.A. 登録日 2019-12-20 公開日 2020-12-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.697 Å) 主引用文献 Enantiomer-specific activities of an LRH-1 and SF-1 dual agonist. Sci Rep, 10, 2020
6VQF	CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST 分子名称: (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma 著者 Sack, J.S. 登録日 2020-02-05 公開日 2020-04-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist. Acs Med.Chem.Lett., 11, 2020
6VIF	Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 分子名称: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 著者 Cato, M.L, Ortlund, E.A. 登録日 2020-01-13 公開日 2020-06-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition. Bioorg.Med.Chem.Lett., 30, 2020
6VPF	Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene 分子名称: Clomifene, Estrogen receptor 著者 Fanning, S.W, Greene, G.L. 登録日 2020-02-03 公開日 2020-09-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
6VJD	Estrogen Receptor Alpha Ligand Binding Domain in Complex with Lasofoxifene 分子名称: (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL, Estrogen receptor 著者 Fanning, S.W, Greene, G.L. 登録日 2020-01-15 公開日 2020-02-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Estrogen Receptor Alpha To Be Published
6VSW	Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt 分子名称: 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C 著者 Spurlino, J, Milligan, C. 登録日 2020-02-12 公開日 2020-05-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.202 Å) 主引用文献 Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t. Bioorg.Med.Chem.Lett., 30, 2020
6W9I	SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS 分子名称: 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion 著者 Sack, J.S. 登録日 2020-03-23 公開日 2020-04-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.608 Å) 主引用文献 Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists. Bioorg.Med.Chem.Lett., 30, 2020
6W9H	SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS 分子名称: 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion 著者 Sack, J.S. 登録日 2020-03-23 公開日 2020-04-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.995 Å) 主引用文献 Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists. Bioorg.Med.Chem.Lett., 30, 2020
6W9K	Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with Prednisolone and PGC1a coregulator fragment 分子名称: GLYCEROL, Glucocorticoid Receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... 著者 Liu, X, Ortlund, E.A. 登録日 2020-03-23 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment. Proc.Natl.Acad.Sci.USA, 117, 2020
6W9M	Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with vamorolone and SHP coregulator fragment 分子名称: GLYCEROL, Glucocorticoid Receptor, Nuclear receptor subfamily 0 group B member 2, ... 著者 Liu, X, Ortlund, E.A. 登録日 2020-03-23 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment. Proc.Natl.Acad.Sci.USA, 117, 2020
6W9L	Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with deacetylated deflazacort and PGC1a coregulator fragment 分子名称: (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one, GLYCEROL, Glucocorticoid Receptor, ... 著者 Liu, X, Ortlund, E.A. 登録日 2020-03-23 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment. Proc.Natl.Acad.Sci.USA, 117, 2020
6VZO	Crystal structure of human PPARgamma ligand binding domain (Protein delipidated by denature and refold) 分子名称: Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2020-02-28 公開日 2021-03-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Structural mechanism underlying ligand binding and activation of PPAR gamma. Structure, 29, 2021
6VZM	Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with Darglitazone 分子名称: (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2020-02-28 公開日 2021-03-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural mechanism underlying ligand binding and activation of PPAR gamma. Structure, 29, 2021
6VZN	Crystal structure of human PPARgamma ligand binding domain Y473E mutant 分子名称: Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2020-02-28 公開日 2021-03-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural mechanism underlying ligand binding and activation of PPAR gamma. Structure, 29, 2021

<12345678910111213141516>