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Structure paper

TitleContributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Journal, issue, pagesAcs Infect Dis., Vol. 10, Page 1174-1184, Year 2024
Publish dateJul 25, 2022 (structure data deposition date)
AuthorsFlynn, J.M. / Zvornicanin, S.N. / Tsepal, T. / Shaqra, A.M. / Kurt Yilmaz, N. / Jia, W. / Moquin, S. / Dovala, D. / Schiffer, C.A. / Bolon, D.N.A.
External linksAcs Infect Dis. / PubMed:38472113
MethodsX-ray diffraction
Resolution2 - 2.75 Å
Structure data

PDB-8dt9:
Crystal Structure of SARS CoV-2 Mpro mutant L141R with Pfizer Intravenous Inhibitor PF-00835231
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-8e4w:
Crystal Structure of SARS CoV-2 Mpro mutant N142P with Pfizer Intravenous Inhibitor PF-00835231
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-8e5c:
Crystal Structure of SARS CoV-2 Mpro mutant L50F with Nirmatrelvir captured in two conformational states
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

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

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-NA:
Unknown entry

ChemComp-HOH:
WATER

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 / medication, antivirus, protease inhibitor*YM

ChemComp-CL:
Unknown entry

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / Coronavirus / COVID-19 / COVID / PROTEASE / DRUG RESISTANCE / COMPLEX / HYDROLASE / DURG DISCOVERY / MAIN PROTEASE / MPRO / SUBSTRATE COMPLEX / Pfizer IV compound / PF-00835231 / L141R / HYDROLASE/INHIBITOR / N142P / HYDROLASE-INHIBITOR complex / L50F / Nirmatrelvir / VIRAL PROTEIN-HYDROLASE-INHIBITOR complex

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