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Structure paper

TitleN-Terminal Finger Stabilizes the S1 Pocket for the Reversible Feline Drug GC376 in the SARS-CoV-2 M pro Dimer.
Journal, issue, pagesJ. Mol. Biol., Vol. 433, Page 167003-167003, Year 2021
Publish dateJan 11, 2021 (structure data deposition date)
AuthorsArutyunova, E. / Khan, M.B. / Fischer, C. / Lu, J. / Lamer, T. / Vuong, W. / van Belkum, M.J. / McKay, R.T. / Tyrrell, D.L. / Vederas, J.C. ...Arutyunova, E. / Khan, M.B. / Fischer, C. / Lu, J. / Lamer, T. / Vuong, W. / van Belkum, M.J. / McKay, R.T. / Tyrrell, D.L. / Vederas, J.C. / Young, H.S. / Lemieux, M.J.
External linksJ. Mol. Biol. / PubMed:33895266
MethodsX-ray diffraction
Resolution1.9 - 2.15 Å
Structure data

PDB-7lcp:
N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7lcq:
N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

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

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus
KeywordsVIRAL PROTEIN / HYDROLASE/INHIBITOR / COVID-19 / SARS-CoV-2 / 3CLpro / coronavirus / main protease / kinetics / SARS / Hydrolase-Hydrolase Inhibitor complex / HYDROLASE / HYDROLASE-INHIBITOR complex / SARS-CoV-1

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