7LKT

1.50 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2k

7LKT の概要

• エントリーDOI: 10.2210/pdb7lkt/pdb
• 分子名称: 3C-like proteinase, (1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, ... (6 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: 70889.85

構造登録者

Kashipathy, M.M.,Lovell, S.,Battaile, K.P.,Chamandi, S.D.,Rathnayake, A.D.,Nguyen, H.N.,Baird, M.A.,Kim, Y.,Shadipeni, N.,Chang, K.O.,Groutas, W.C. (登録日: 2021-02-02, 公開日: 2021-02-17, 最終更新日: 2023-10-18)

• 主引用文献: Dampalla, C.S.,Kim, Y.,Bickmeier, N.,Rathnayake, A.D.,Nguyen, H.N.,Zheng, J.,Kashipathy, M.M.,Baird, M.A.,Battaile, K.P.,Lovell, S.,Perlman, S.,Chang, K.O.,Groutas, W.C.; Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.; J.Med.Chem., 64:10047-10058, 2021; PubMed: 34213885; DOI: 10.1021/acs.jmedchem.1c00319

実験手法

X-RAY DIFFRACTION (1.5 Å)