7QBB

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18

7QBB の概要

• エントリーDOI: 10.2210/pdb7qbb/pdb
• 分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione, ... (4 entities in total)
• 機能のキーワード: inhibitor, complex, protease, viral protein
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34325.19

構造登録者

Talibov, V.O. (登録日: 2021-11-18, 公開日: 2022-02-23, 最終更新日: 2024-01-31)

• 主引用文献: Luttens, A.,Gullberg, H.,Abdurakhmanov, E.,Vo, D.D.,Akaberi, D.,Talibov, V.O.,Nekhotiaeva, N.,Vangeel, L.,De Jonghe, S.,Jochmans, D.,Krambrich, J.,Tas, A.,Lundgren, B.,Gravenfors, Y.,Craig, A.J.,Atilaw, Y.,Sandstrom, A.,Moodie, L.W.K.,Lundkvist, A.,van Hemert, M.J.,Neyts, J.,Lennerstrand, J.,Kihlberg, J.,Sandberg, K.,Danielson, U.H.,Carlsson, J.; Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.; J.Am.Chem.Soc., 144:2905-2920, 2022; PubMed: 35142215; DOI: 10.1021/jacs.1c08402

実験手法

X-RAY DIFFRACTION (2 Å)