7M90

CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 50

7M90 の概要

• エントリーDOI: 10.2210/pdb7m90/pdb
• 分子名称: 3C-like proteinase, 5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (3 entities in total)
• 機能のキーワード: viral protein, hydrolase
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34360.50

構造登録者

Deshmukh, M.G.,Ippolito, J.A.,Zhang, C.H.,Jorgensen, W.L.,Anderson, K.S. (登録日: 2021-03-30, 公開日: 2021-06-30, 最終更新日: 2023-10-18)

• 主引用文献: Deshmukh, M.G.,Ippolito, J.A.,Zhang, C.H.,Stone, E.A.,Reilly, R.A.,Miller, S.J.,Jorgensen, W.L.,Anderson, K.S.; Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease.; Structure, 29:823-, 2021; PubMed: 34161756; DOI: 10.1016/j.str.2021.06.002

実験手法

X-RAY DIFFRACTION (2.19 Å)