9PFH

Crystal structure of SARS-CoV-2 Mpro Mutant P132H with C5a

9PFH の概要

• エントリーDOI: 10.2210/pdb9pfh/pdb
• 分子名称: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide (3 entities in total)
• 機能のキーワード: mutant, inhibitor, viral protein, hydrolase
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 68637.09

構造登録者

Kenward, C.,Mosimann, W.A.,Worrall, L.J.,Strynadka, N.C.J. (登録日: 2025-07-04, 公開日: 2025-07-16, 最終更新日: 2025-11-26)

主引用文献

Deschenes, N.M.,Perez-Vargas, J.,Zhong, Z.,Thomas, M.,Kenward, C.,Mosimann, W.A.,Worrall, L.J.,Waglechner, N.,Li, A.X.,Maguire, F.,Aftanas, P.,Smith, J.R.,Lim, J.,Young, R.N.,Cherkasov, A.,Farooqi, L.,Moinuddin, A.,Siddiqi, L.,Malik, I.,Lefebvre, M.,Paetzel, M.,Strynadka, N.C.J.,Jean, F.,McGeer, A.,Kozak, R.A.
Functional and Structural Characterization of Treatment-Emergent Nirmatrelvir Resistance Mutations at Low Frequencies in the Main Protease (Mpro) Reveals a Unique Evolutionary Route for SARS-CoV-2 to Gain Resistance.
J.Infect.Dis., 232:e789-e798, 2025

PubMed Abstract: The main protease (Mpro) is one of the most attractive targets for antiviral drug discovery against SARS-CoV-2. Mutations in Mpro have been linked to resistance against nirmatrelvir-ritonavir (NIR-RIT), an important therapy for SARS-CoV-2 infection. This study aimed to identify low-frequency antiviral resistance mutations in Mpro from NIR-RIT-treated patients and to analyze the enzymatic properties, inhibitor susceptibility, and structural features of new Mpro clinical variants.

PubMed: 40459233
DOI: 10.1093/infdis/jiaf294

実験手法

X-RAY DIFFRACTION (2.69 Å)