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TitleX-ray crystal structure of SARS-CoV-2 main protease complex with Bofutrelvir
Journal, issue, pagesTo Be Published
Publish dateJul 7, 2024 (structure data deposition date)
AuthorsEsler, M.A. / Shi, K. / Aihara, H.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.91 Å
Structure data

PDB-9cjv:
X-ray crystal structure of SARS-CoV-2 main protease complex with Bofutrelvir
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

Chemicals

ChemComp-FHR:
~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

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

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