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Structure paper

TitleFeline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Journal, issue, pagesNat Commun, Vol. 11, Page 4282-4282, Year 2020
Publish dateMay 2, 2020 (structure data deposition date)
AuthorsVuong, W. / Khan, M.B. / Fischer, C. / Arutyunova, E. / Lamer, T. / Shields, J. / Saffran, H.A. / McKay, R.T. / van Belkum, M.J. / Joyce, M.A. ...Vuong, W. / Khan, M.B. / Fischer, C. / Arutyunova, E. / Lamer, T. / Shields, J. / Saffran, H.A. / McKay, R.T. / van Belkum, M.J. / Joyce, M.A. / Young, H.S. / Tyrrell, D.L. / Vederas, J.C. / Lemieux, M.J.
External linksNat Commun / PubMed:32855413
MethodsX-ray diffraction
Resolution1.85 - 2 Å
Structure data

PDB-6wtj:
Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6wtk:
Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6wtm:
Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

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

ChemComp-HOH:
WATER

ChemComp-UED:
N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsHydrolase/Hydrolase Inhibitor / COVID-19 / SARS-CoV-2 / 3CLpro / coronavirus / main protease / kinetics / SARS / VIRAL PROTEIN / Hydrolase-Hydrolase Inhibitor complex

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