7RC1

X-ray Structure of SARS-CoV main protease covalently modified by compound GRL-0686

7RC1 の概要

• エントリーDOI: 10.2210/pdb7rc1/pdb
• 分子名称: 3C-like proteinase, 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate, DIMETHYL SULFOXIDE, ... (4 entities in total)
• 機能のキーワード: sars-cov, 3clpro, mpro, 3cl, main, protease, inhibitor, covalent, structural genomics, center for structural genomics of infectious diseases, csgid, viral protein
• 由来する生物種: Severe acute respiratory syndrome coronavirus (SARS-CoV)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34725.15

構造登録者

Mesecar, A.D.,Anson, B.A.,Ghosh, A.K.,Center for Structural Genomics of Infectious Diseases (CSGID) (登録日: 2021-07-07, 公開日: 2021-09-29, 最終更新日: 2023-10-18)

• 主引用文献: Ghosh, A.K.,Raghavaiah, J.,Shahabi, D.,Yadav, M.,Anson, B.J.,Lendy, E.K.,Hattori, S.I.,Higashi-Kuwata, N.,Mitsuya, H.,Mesecar, A.D.; Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.; J.Med.Chem., 64:14702-14714, 2021; PubMed: 34528437; DOI: 10.1021/acs.jmedchem.1c01214

実験手法

X-RAY DIFFRACTION (1.63 Å)