6W63

Structure of COVID-19 main protease bound to potent broad-spectrum non-covalent inhibitor X77

6W63 の概要

• エントリーDOI: 10.2210/pdb6w63/pdb
• 分子名称: 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide (3 entities in total)
• 機能のキーワード: covid-19, sars, sars-cov-2, sars-cov, main protease, 3c-like protease, 3cl protease, 3clpro, mpro, broad-spectrum, inhibitor, proteinase, non-covalent, reversible, structural genomics, center for structural genomics of infectious diseases, csgid, antiviral protein, viral protein-inhibitor complex, viral protein/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34285.13

構造登録者

Mesecar, A.D.,Center for Structural Genomics of Infectious Diseases (CSGID) (登録日: 2020-03-16, 公開日: 2020-03-25, 最終更新日: 2023-10-18)

• 主引用文献: Mesecar, A.D.; A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19); To Be Published,

実験手法

X-RAY DIFFRACTION (2.1 Å)