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TitleCrystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor boceprevir
Journal, issue, pagesTo Be Published
Publish dateJan 27, 2021 (structure data deposition date)
AuthorsZhang, L. / Hilgenfeld, R.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.7 - 2.4 Å
Structure data

PDB-7nbr:
Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor boceprevir
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-7nbs:
Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor telaprevir
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-U5G:
boceprevir (bound form)

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-SV6:
(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / Coronavirus / main protease / drug repurposing / hepatitis C virus

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