7RMJ

Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor (S)-N-(1-(3-(4-chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide

7RMJ の概要

• エントリーDOI: 10.2210/pdb7rmj/pdb
• 関連するPDBエントリー: 7RAO 7RAR 7RHM 7RHN 7RJ2 7RJ4
• 分子名称: CAPSID PROTEIN P24, N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide, IODIDE ION, ... (5 entities in total)
• 機能のキーワード: inhibitor, viral protein
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 80423.99

構造登録者

Bester, S.M.,Kvaratskhelia, M. (登録日: 2021-07-27, 公開日: 2022-08-03, 最終更新日: 2023-10-18)

• 主引用文献: Bester, S.M.,Adu-Ampratwum, D.,Annamalai, A.S.,Wei, G.,Briganti, L.,Murphy, B.C.,Haney, R.,Fuchs, J.R.,Kvaratskhelia, M.; Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.; Mbio, 13:e0180422-e0180422, 2022; PubMed: 36190128; DOI: 10.1128/mbio.01804-22

実験手法

X-RAY DIFFRACTION (2.27 Å)