7M03

Structure of SARS-CoV-2 3CL protease in complex with inhibitor 18c

7M03 の概要

• エントリーDOI: 10.2210/pdb7m03/pdb
• 分子名称: 3C-like proteinase, (1R,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, ... (4 entities in total)
• 機能のキーワード: covid-19, protease, severe acute respiratory syndrome coronavirus 2, sars-cov-2 3cl protease inhhibitors, hydrolase-inhibitor complex, hydrolase/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: 2
• 化学式量合計: 70151.78

構造登録者

Kashipathy, M.M.,Lovell, S.,Battaile, K.P.,Chamandi, S.D.,Rathnayake, A.D.,Kim, Y.,Perera, K.D.,Jesri, A.R.M.,Nguyen, H.N.,Baird, M.A.,Miller, M.J.,Groutas, W.C.,Chang, K.O. (登録日: 2021-03-10, 公開日: 2021-03-24, 最終更新日: 2023-10-18)

• 主引用文献: Dampalla, C.S.,Rathnayake, A.D.,Perera, K.D.,Jesri, A.M.,Nguyen, H.N.,Miller, M.J.,Thurman, H.A.,Zheng, J.,Kashipathy, M.M.,Battaile, K.P.,Lovell, S.,Perlman, S.,Kim, Y.,Groutas, W.C.,Chang, K.O.; Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.; J.Med.Chem., 64:17846-17865, 2021; PubMed: 34865476; DOI: 10.1021/acs.jmedchem.1c01037

実験手法

X-RAY DIFFRACTION (2 Å)