Structural highlights
8bk3 is a 2 chain structure with sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
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| Method: | X-ray diffraction, Resolution 2.15Å |
| Ligands: | , , , , |
| Resources: | FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT |
Publication Abstract from PubMed
Epoxides are an established class of electrophilic alkylating agents that react with nucleophilic protein residues. We report alphabeta,alpha'beta'-diepoxyketones (DEKs) as a new type of mechanism-based inhibitors of nucleophilic cysteine enzymes. Studies with the L,D-transpeptidase Ldt(Mt2) from Mycobacterium tuberculosis and the main protease from SARS-CoV-2 (M(pro)) reveal that following epoxide ring opening by a nucleophilic cysteine, further reactions can occur, leading to irreversible alkylation.
alphabeta,alpha'beta'-Diepoxyketones are mechanism-based inhibitors of nucleophilic cysteine enzymes.,de Munnik M, Lithgow J, Brewitz L, Christensen KE, Bates RH, Rodriguez-Miquel B, Schofield CJ Chem Commun (Camb). 2023 Oct 26;59(86):12859-12862. doi: 10.1039/d3cc02932h. PMID:37815791[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ de Munnik M, Lithgow J, Brewitz L, Christensen KE, Bates RH, Rodriguez-Miquel B, Schofield CJ. αβ,α'β'-Diepoxyketones are mechanism-based inhibitors of nucleophilic cysteine enzymes. Chem Commun (Camb). 2023 Oct 26;59(86):12859-12862. PMID:37815791 doi:10.1039/d3cc02932h
