7S3K

Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530718726

7S3K の概要

• エントリーDOI: 10.2210/pdb7s3k/pdb
• 分子名称: 3C-like proteinase, 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide (3 entities in total)
• 機能のキーワード: enzyme-inhibitor complex, cysteine protease, homodimer, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 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: 34152.32

構造登録者

Kovalevsky, A.,Kneller, D.W.,Coates, L. (登録日: 2021-09-07, 公開日: 2021-09-15, 最終更新日: 2023-10-18)

• 主引用文献: Glaser, J.,Sedova, A.,Galanie, S.,Kneller, D.W.,Davidson, R.B.,Maradzike, E.,Del Galdo, S.,Labbe, A.,Hsu, D.J.,Agarwal, R.,Bykov, D.,Tharrington, A.,Parks, J.M.,Smith, D.M.A.,Daidone, I.,Coates, L.,Kovalevsky, A.,Smith, J.C.; Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.; Acs Pharmacol Transl Sci, 5:255-265, 2022; PubMed: 35434531; DOI: 10.1021/acsptsci.2c00026

実験手法

X-RAY DIFFRACTION (1.9 Å)