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TitleNaturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Journal, issue, pagesBiorxiv, Year 2022
Publish dateJun 2, 2022 (structure data deposition date)
AuthorsHu, Y. / Lewandowski, E.M. / Tan, H. / Zhang, X. / Morgan, R.T. / Jacobs, L.M.C. / Butler, S.G. / Gongora, M.V. / Choy, J. / Deng, X. ...Hu, Y. / Lewandowski, E.M. / Tan, H. / Zhang, X. / Morgan, R.T. / Jacobs, L.M.C. / Butler, S.G. / Gongora, M.V. / Choy, J. / Deng, X. / Chen, Y. / Wang, J.
External linksBiorxiv / PubMed:36119652
MethodsX-ray diffraction
Resolution1.7 - 2.7 Å
Structure data

PDB-8d4j:
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-8d4k:
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant in Complex with Inhibitor GC376
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-8d4l:
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-8d4m:
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant in Complex with Inhibitor GC376
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-8d4n:
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166Q Mutant
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-K36:
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid / medication, antivirus*YM

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / Protease / SARS-CoV-2 / Mpro / HYDROLASE / Mutation

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