7JYM

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC SULFONE INVERSE AGONIST

7JYM の概要

• エントリーDOI: 10.2210/pdb7jym/pdb
• 分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1, (3R,5S)-3-fluoro-5-[(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]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one (3 entities in total)
• 機能のキーワード: rorgt, nuclear hormone receptor, ligand-binding domain, inverse agonist, dna binding protein-agonist complex, dna binding protein/agonist
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 33587.53

構造登録者

Sack, J. (登録日: 2020-08-31, 公開日: 2020-11-25, 最終更新日: 2023-10-18)

• 主引用文献: Liu, Q.,Batt, D.G.,Weigelt, C.A.,Yip, S.,Wu, D.R.,Ruzanov, M.,Sack, J.S.,Wang, J.,Yarde, M.,Li, S.,Shuster, D.J.,Xie, J.H.,Sherry, T.,Obermeier, M.T.,Fura, A.,Stefanski, K.,Cornelius, G.,Khandelwal, P.,Tino, J.A.,Macor, J.E.,Salter-Cid, L.,Denton, R.,Zhao, Q.,Dhar, T.G.M.; Novel Tricyclic Pyroglutamide Derivatives as Potent ROR gamma t Inverse Agonists Identified using a Virtual Screening Approach.; Acs Med.Chem.Lett., 11:2510-2518, 2020; PubMed: 33335675; DOI: 10.1021/acsmedchemlett.0c00496

実験手法