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TitleCrystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode.
Journal, issue, pagesSci Bull (Beijing), Vol. 66, Page 661-663, Year 2021
Publish dateJun 8, 2020 (structure data deposition date)
AuthorsLi, J. / Zhou, X. / Zhang, Y. / Zhong, F. / Lin, C. / McCormick, P.J. / Jiang, F. / Luo, J. / Zhou, H. / Wang, Q. ...Li, J. / Zhou, X. / Zhang, Y. / Zhong, F. / Lin, C. / McCormick, P.J. / Jiang, F. / Luo, J. / Zhou, H. / Wang, Q. / Fu, Y. / Duan, J. / Zhang, J.
External linksSci Bull (Beijing) / PubMed:33163253
MethodsX-ray diffraction
Resolution2.45 Å
Structure data

PDB-7ca8:
The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

Chemicals

ChemComp-FNO:
2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / Main Protease / inhibitor

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