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TitleX-ray crystal structure of SARS-CoV-2 main protease quadruple mutants in complex with Nirmatrelvir
Journal, issue, pagesTo Be Published
Publish dateJul 7, 2024 (structure data deposition date)
AuthorsEsler, M.A. / Shi, K. / Harris, R.S. / Aihara, H.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.71 Å
Structure data

PDB-9cjp:
X-ray crystal structure of SARS-CoV-2 main protease quadruple mutants in complex with Nirmatrelvir
Method: X-RAY DIFFRACTION / Resolution: 1.71 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-EDO:
1,2-ETHANEDIOL

ChemComp-BR:
BROMIDE ION

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsHYDROLASE/INHIBITOR / HYDROLASE-INHIBITOR complex / SARS2

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