{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Ekstrom AG"],"funding":["Biotechnology and Biological Sciences Research Council","Engineering and Physical Sciences Research Council"],"pagination":["6310-6313"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC5708339"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["15(30)"],"pubmed_abstract":["We use mass spectrometry analysis and molecular modelling to show the established antimicrobial inhibitor 4,5-dichloro-1,2-dithiol-3-one (HR45) acts by forming a covalent adduct with the target β-ketoacyl-ACP synthase III (FabH). The 5-chloro substituent directs attack of the essential active site thiol (C112) via a Michael-type addition elimination reaction mechanism."],"journal":["Organic & biomolecular chemistry"],"pubmed_title":["Structural evidence for the covalent modification of FabH by 4,5-dichloro-1,2-dithiol-3-one (HR45)."],"pmcid":["PMC5708339"],"funding_grant_id":["EP/K039717/1","BB/N005570/1","BB/M003493/1"],"pubmed_authors":["Cockroft SL","Kelly V","Marles-Wright J","Campopiano DJ","Ekstrom AG"],"additional_accession":[]},"is_claimable":false,"name":"Structural evidence for the covalent modification of FabH by 4,5-dichloro-1,2-dithiol-3-one (HR45).","description":"We use mass spectrometry analysis and molecular modelling to show the established antimicrobial inhibitor 4,5-dichloro-1,2-dithiol-3-one (HR45) acts by forming a covalent adduct with the target β-ketoacyl-ACP synthase III (FabH). The 5-chloro substituent directs attack of the essential active site thiol (C112) via a Michael-type addition elimination reaction mechanism.","dates":{"release":"2017-01-01T00:00:00Z","publication":"2017 Aug","modification":"2026-04-30T18:09:47.372Z","creation":"2026-04-07T16:14:29.142Z"},"accession":"S-EPMC5708339","cross_references":{"pubmed":["28715001"],"doi":["10.1039/c7ob01396e"]}}