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TitleMolecular mechanisms of drug resistance and compensation in SARS-CoV-2 main protease: the interplay between E166 and L50.
Journal, issue, pagesMbio, Vol. 16, Page e0406824-e0406824, Year 2025
Publish dateDec 3, 2024 (structure data deposition date)
AuthorsZvornicanin, S.N. / Shaqra, A.M. / Flynn, J. / Carias Martinez, H. / Jia, W. / Moquin, S. / Dovala, D. / Bolon, D.N. / Kurt Yilmaz, N. / Schiffer, C.A.
External linksMbio / PubMed:40183562
MethodsX-ray diffraction
Resolution1.62 - 1.88 Å
Structure data

PDB-9el4:
Crystal Structure of SARS-CoV-2 Mpro mutant E166A with Pfizer Intravenous Inhibitor PF-00835231
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-9elv:
Crystal Structure of SARS-CoV-2 Mpro mutant E166V with Pfizer Intravenous Inhibitor PF-00835231
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-9mei:
Crystal Structure of SARS-CoV-2 Mpro mutant L50F E166V with Pfizer Intravenous Inhibitor PF-00835231
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-V2M:
N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

ChemComp-HOH:
WATER

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

ChemComp-CL:
Unknown entry

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / HYDROLASE/HYDROLASE INHIBITOR / COVID / Mpro / SARS2 / SARS-CoV-2 / HYDROLASE-HYDROLASE INHIBITOR complex / SC2

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