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Titlealpha beta , alpha ' beta '-Diepoxyketones are mechanism-based inhibitors of nucleophilic cysteine enzymes.
Journal, issue, pagesChem. Commun. (Camb. ), Vol. 59, Page 12859-12862, Year 2023
Publish dateNov 8, 2022 (structure data deposition date)
Authorsde Munnik, M. / Lithgow, J. / Brewitz, L. / Christensen, K.E. / Bates, R.H. / Rodriguez-Miquel, B. / Schofield, C.J.
External linksChem. Commun. (Camb. ) / PubMed:37815791
MethodsX-ray diffraction
Resolution2.15 Å
Structure data

PDB-8bk3:
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with diepoxide ketone 1
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-QXU:
1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone

ChemComp-NO3:
NITRATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsANTIMICROBIAL PROTEIN / L / D-transpeptidase / LdtMt2 / Inhibitor / Covalent

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