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TitleCrystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188.
Journal, issue, pagesViruses, Vol. 13, Year 2021
Publish dateDec 11, 2020 (structure data deposition date)
AuthorsLockbaum, G.J. / Reyes, A.C. / Lee, J.M. / Tilvawala, R. / Nalivaika, E.A. / Ali, A. / Kurt Yilmaz, N. / Thompson, P.R. / Schiffer, C.A.
External linksViruses / PubMed:33503819
MethodsX-ray diffraction
Resolution2.39 Å
Structure data

PDB-7l0d:
SARS-CoV-2 Main Protease (Mpro) in Complex with ML188
Method: X-RAY DIFFRACTION / Resolution: 2.39 Å

Chemicals

ChemComp-0EN:
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsHYDROLASE/INHIBITOR / SARS-CoV-2 / COVID19 PROTEASE / PROTEASE INHIBITOR / COMPLEX / HYDROLASE INHIBITOR COMPLEX / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / HYDROLASE-INHIBITOR complex

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