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Structure paper

TitleImpact of Single Halogen Atom Substitutions on Potency of Inhibitors Targeting SARS-CoV-2 Main Protease
Journal, issue, pagesTo Be Published
Publish dateMar 21, 2025 (structure data deposition date)
AuthorsHattori, S. / Bulut, H. / Hayashi, H. / Aoki, H. / Kuwata, N. / Das, D. / Mi, L. / Wlodawer, A. / Misumi, S. / Tamamura, H. / Mitsuya, H.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.79 - 2.01 Å
Structure data

PDB-9nwa:
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-277-5Cl
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9nwb:
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-280-5I
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-9nwc:
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-276-5Br
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

Chemicals


PDB Unreleased entry

PDB-1b7c: Unknown entry

ChemComp-HOH:
WATER

PDB-1b7a:
STRUCTURE OF THE PHOSPHATIDYLETHANOLAMINE-BINDING PROTEIN FROM BOVINE BRAIN

PDB-1b7b:
Carbamate kinase from Enterococcus faecalis

Source
  • severe acute respiratory syndrome coronavirus 2
  • severe acute respiratory syndrome coronavirus
KeywordsVIRAL PROTEIN / SARS-CoV-2 main protease / 3C-like proteinase / SARS-CoV-2

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