6XFV

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A NOVEL INVERSE AGONIST

6XFV の概要

• エントリーDOI: 10.2210/pdb6xfv/pdb
• 分子名称: Nuclear receptor ROR-gamma, 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one (3 entities in total)
• 機能のキーワード: rorgt, nuclear hormone receptor, ligand-binding domain, inverse agonist, transcription-agonist complex, transcription/agonist
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 62535.99

構造登録者

Sack, J.S. (登録日: 2020-06-16, 公開日: 2020-08-12, 最終更新日: 2023-10-18)

• 主引用文献: Jiang, B.,Duan, J.J.,Stachura, S.,Karmakar, A.,Hemagiri, H.,Raut, D.K.,Gupta, A.K.,Weigelt, C.A.,Khan, J.,Sack, J.S.,Wu, D.R.,Yarde, M.,Shen, D.R.,Galella, M.A.,Mathur, A.,Zhao, Q.,Salter-Cid, L.M.,Carter, P.H.,Dhar, T.G.M.; Discovery of (3S,4S)-3-methyl-3-(4-fluorophenyl)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)phenyl)pyrrolidines as novel ROR gamma t inverse agonists.; Bioorg.Med.Chem.Lett., 30:127392-127392, 2020; PubMed: 32738966; DOI: 10.1016/j.bmcl.2020.127392

実験手法

X-RAY DIFFRACTION (2.15 Å)