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TitleEvolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 8686-8698, Year 2022
Publish dateJan 3, 2022 (structure data deposition date)
AuthorsYang, K.S. / Leeuwon, S.Z. / Xu, S. / Liu, W.R.
External linksJ. Med. Chem. / PubMed:35731933
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-7te0:
Structure of the SARS-CoV-2 main protease in complex with inhibitor PF-07321332
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-4WI:
(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide / medication, antivirus, protease inhibitor*YM

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / HYDROLASE/INHIBITOR / main protease / HYDROLASE-INHIBITOR complex

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