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Structure paper

TitleCrystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Journal, issue, pagesTo Be Published
Publish dateJan 28, 2021 (structure data deposition date)
AuthorsCostanzi, E. / Demitri, N. / Giabbai, B. / Storici, P.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.93 Å
Structure data

PDB-7nby:
Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

Chemicals

ChemComp-U88:
5-nitro-1,3-thiazole / inhibitor*YM

ChemComp-NO3:
NITRATE ION

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / SARS-CoV-2 / Mpro / 3CLpro / EXSCALATE4COV / drug discovery / Elettra / halicin / SU3327

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