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TitleFunctional 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.
Journal, issue, pagesJ. Infect. Dis., Vol. 232, Page e789-e798, Year 2025
Publish dateJul 4, 2025 (structure data deposition date)
AuthorsDeschenes, N.M. / Perez-Vargas, J. / Zhong, Z. / Thomas, M. / Kenward, C. / Mosimann, W.A. / Worrall, L.J. / Waglechner, N. / Li, A.X. / Maguire, F. ...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.
External linksJ. Infect. Dis. / PubMed:40459233
MethodsX-ray diffraction
Resolution1.81 - 2.69 Å
Structure data

PDB-9pfh:
Crystal structure of SARS-CoV-2 Mpro Mutant P132H with C5a
Method: X-RAY DIFFRACTION / Resolution: 2.69 Å

PDB-9pfi:
Crystal structure of SARS-CoV-2 Mpro Mutant P132H
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

Chemicals

ChemComp-WZK:
N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / HYDROLASE / Mutant / Inhibitor

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