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TitleStructural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
Journal, issue, pagesJ. Virol., Vol. 96, Page e0201321-e0201321, Year 2022
Publish dateOct 5, 2021 (structure data deposition date)
AuthorsLi, J. / Lin, C. / Zhou, X. / Zhong, F. / Zeng, P. / Yang, Y. / Zhang, Y. / Yu, B. / Fan, X. / McCormick, P.J. ...Li, J. / Lin, C. / Zhou, X. / Zhong, F. / Zeng, P. / Yang, Y. / Zhang, Y. / Yu, B. / Fan, X. / McCormick, P.J. / Fu, R. / Fu, Y. / Jiang, H. / Zhang, J.
External linksJ. Virol. / PubMed:35389231
MethodsX-ray diffraction
Resolution1.50251932385 - 2.53865625155 Å
Structure data

PDB-7vlo:
Crystal structure of SARS coronavirus main protease in complex with PF07321332
Method: X-RAY DIFFRACTION / Resolution: 2.0227 Å

PDB-7vlp:
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211
Method: X-RAY DIFFRACTION / Resolution: 1.50251932385 Å

PDB-7vlq:
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121
Method: X-RAY DIFFRACTION / Resolution: 1.93910601486 Å

PDB-7vtc:
Crystal structure of MERS main protease in complex with PF07321332
Method: X-RAY DIFFRACTION / Resolution: 2.53865625155 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

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome-related coronavirus
  • severe acute respiratory syndrome coronavirus 2
  • middle east respiratory syndrome-related coronavirus
KeywordsVIRAL PROTEIN/INHIBITOR / VIRAL PROTEIN-INHIBITOR COMPLEX

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