2019
Structure elucidation of colibactin and its DNA cross-links
Xue M, Kim CS, Healy AR, Wernke KM, Wang Z, Frischling MC, Shine EE, Wang W, Herzon SB, Crawford JM. Structure elucidation of colibactin and its DNA cross-links. Science 2019, 365 PMID: 31395743, PMCID: PMC6820679, DOI: 10.1126/science.aax2685.Peer-Reviewed Original ResearchConceptsColibactin-producing bacteriaCell biology dataColibactin gene clusterCombination of geneticsComplex secondary metabolitesGene clusterIsotope labelingSecondary metabolitesBiology dataColibactinHuman gutTandem mass spectrometryBacteriaPhysiological effectsMass spectrometryStructure elucidationGutGeneticsDNAEnzymeChemical synthesisEscherichiaElucidationMetabolitesLabeling
2018
Characterization of Natural Colibactin–Nucleobase Adducts by Tandem Mass Spectrometry and Isotopic Labeling. Support for DNA Alkylation by Cyclopropane Ring Opening
Xue M, Shine E, Wang W, Crawford JM, Herzon SB. Characterization of Natural Colibactin–Nucleobase Adducts by Tandem Mass Spectrometry and Isotopic Labeling. Support for DNA Alkylation by Cyclopropane Ring Opening. Biochemistry 2018, 57: 6391-6394. PMID: 30365310, PMCID: PMC6997931, DOI: 10.1021/acs.biochem.8b01023.Peer-Reviewed Original ResearchMeSH KeywordsAlkylationCyclopropanesEscherichia coliIsotope LabelingPeptidesPolyketidesTandem Mass SpectrometryConceptsGenotoxic secondary metabolitesMethionine auxotrophic strainsE. coliGut commensal Escherichia coliClb gene clusterColibactin biosynthesisElectrophilic CyclopropanesGene clusterDNA alkylationPrevious biosynthetic studiesSecondary metabolitesAuxotrophic strainsEscherichia coliCommensal Escherichia coliBiosynthetic studiesFirst identificationBiosynthesisColiColibactinPUC19 DNAIsotopic labelingNucleotidesDNATandem mass spectrometryCertain strains
2016
Secondary Metabolic Pathway-Targeted Metabolomics
Vizcaino MI, Crawford JM. Secondary Metabolic Pathway-Targeted Metabolomics. Methods In Molecular Biology 2016, 1401: 175-195. PMID: 26831709, PMCID: PMC5049693, DOI: 10.1007/978-1-4939-3375-4_12.Peer-Reviewed Original ResearchMeSH KeywordsAmino AcidsBacteriaCell Culture TechniquesChromatography, LiquidIsotope LabelingMetabolic Networks and PathwaysMetabolomicsSoftwareTandem Mass SpectrometryConceptsHigh-resolution mass spectrometryNovel natural product discoveryIsotopic labelingNatural product discovery effortsMicrobial natural product biosynthesisOrphan biosynthetic pathwaysComplex organic mixturesGlobal Natural Products Social Molecular Networking (GNPS) platformNatural product discoveryMS/MS acquisitionNatural product biosynthesisAnalytes of interestMS data acquisitionMS/MS data acquisitionNatural product extractionOrganic mixturesMolecular networkingNatural productsChemometric platformProduct discoveryMass spectrometryProduct biosynthesisMS acquisitionLiquid chromatographyMethod development