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TitleDetailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Journal, issue, pagesAcs Pharmacol Transl Sci, Vol. 6, Page 171-180, Year 2023
Publish dateDec 9, 2021 (structure data deposition date)
AuthorsSahoo, P. / Lenka, D.R. / Batabyal, M. / Pain, P.K. / Kumar, S. / Manna, D. / Kumar, A.
External linksAcs Pharmacol Transl Sci / PubMed:36650888
MethodsX-ray diffraction
Resolution2 - 2.5 Å
Structure data

PDB-7w9g:
Complex structure of Mpro with ebselen-derivative inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-7xq6:
The complex structure of mutant Mpro with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7xq7:
The complex structure of WT-Mpro
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-SE:
SELENIUM ATOM

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

ChemComp-NA:
Unknown entry

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsHYDROLASE / Protease / Cov-2 / VIRAL PROTEIN/INHIBITOR / VIRAL PROTEIN-INHIBITOR COMPLEX / VIRAL PROTEIN

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