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Structure paper

TitleStructural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
Journal, issue, pagesJ. Mol. Biol., Vol. 434, Page 167706-, Year 2022
Publish dateNov 7, 2021 (structure data deposition date)
AuthorsLi, J. / Lin, C. / Zhou, X. / Zhong, F. / Zeng, P. / McCormick, P.J. / Jiang, H. / Zhang, J.
External linksJ. Mol. Biol. / Search PubMed
MethodsX-ray diffraction
Resolution1.97 - 2.75 Å
Structure data

PDB-7vvp:
Crystal structure of SARS-Cov-2 main protease in complex with PF07304814
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-7wqh:
Crystal structure of HCoV-NL63 main protease with PF07304814
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

PDB-7wqj:
Crystal structure of MERS main protease in complex with PF07304814
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

Chemicals

ChemComp-80I:
[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
  • human coronavirus nl63
  • middle east respiratory syndrome-related coronavirus
KeywordsVIRAL PROTEIN/INHIBITOR / VIRAL PROTEIN-INHIBITOR COMPLEX

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