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Conformational analysis and interaction of the Staphylococcus aureus transmembrane peptidase AgrB with its AgrD propeptide substrate (2023)
Journal Article

Virulence gene expression in the human pathogen, S. aureus is regulated by the agr (accessory gene regulator) quorum sensing (QS) system which is conserved in diverse Gram-positive bacteria. The agr QS signal molecule is an autoinducing peptide (AIP)... Read More about Conformational analysis and interaction of the Staphylococcus aureus transmembrane peptidase AgrB with its AgrD propeptide substrate.

Immunostimulatory efficacy and protective potential of putative TgERK7 protein in mice experimentally infected by Toxoplasma gondii (2020)
Journal Article

© 2020 The Author(s) The extracellular signal-regulated kinases (ERKs) serve as important determinants of cellular signal transduction pathways, and hence may play important roles during infections. Previous work suggested that putative ERK7 of Toxop... Read More about Immunostimulatory efficacy and protective potential of putative TgERK7 protein in mice experimentally infected by Toxoplasma gondii.

Timing is everything – impact of naturally occurring Staphylococcus aureus AgrC cytoplasmic domain adaptive mutations on auto-induction (2019)
Journal Article

Mutations in the polymorphic Staphylococcus aureus agr locus responsible for quorum sensing (QS) dependent virulence gene regulation occur frequently during host adaptation. In two genomically closely related S. aureus clinical isolates exhibiting ma... Read More about Timing is everything – impact of naturally occurring Staphylococcus aureus AgrC cytoplasmic domain adaptive mutations on auto-induction.

Molecular recognition of lipopolysaccaride by the lantibiotic nisin (2018)
Journal Article
Lanne, A. B., Goode, A., Prattley, C., Kumari, D., Drasbek, M. R., Williams, P., …Bonev, B. B. (2019). Molecular recognition of lipopolysaccaride by the lantibiotic nisin. BBA - Biomembranes, 1861(1), 83-92. https://doi.org/10.1016/j.bbamem.2018.10.006

Nisin is a lanthionine antimicrobial effective against diverse Gram-positive bacteria and is used as a food preservative worldwide. Its action is mediated by pyrophosphate recognition of the bacterial cell wall receptors lipid II and undecaprenyl pyr... Read More about Molecular recognition of lipopolysaccaride by the lantibiotic nisin.

To boil an egg: substrate binding affects critical stability in thermal unfolding of proteins (2018)
Journal Article
Hussain, R., Hughes, C. S., Jávorfi, T., Siligardi, G., Williams, P., & Bonev, B. B. (2018). To boil an egg: substrate binding affects critical stability in thermal unfolding of proteins. Journal of Physical Chemistry B, 122(8), 2213-2218. https://doi.org/10.1021/acs.jpcb.7b10643

Thermal unfolding of proteins is used extensively in screening of drug candidates because molecular interactions with ligands and substrates affect strongly protein stability, transition temperature, and cooperativity. We use synchrotron radiation ci... Read More about To boil an egg: substrate binding affects critical stability in thermal unfolding of proteins.

Docking and molecular dynamics simulations of the ternary complex nisin2:lipid II (2016)
Journal Article
Mulholland, S., Turpin, E. R., Bonev, B. B., & Hirst, J. (2016). Docking and molecular dynamics simulations of the ternary complex nisin2:lipid II. Scientific Reports, 6(21185), https://doi.org/10.1038/srep21185

Lanthionine antibiotics are an important class of naturally-occurring antimicrobial peptides. The best-known, nisin, is a commercial food preservative. However, structural and mechanistic details on nisin/lipid II membrane complexes are currently lac... Read More about Docking and molecular dynamics simulations of the ternary complex nisin2:lipid II.

New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations (2014)
Journal Article
Turpin, E. R., Mulholland, S., Teale, A. M., Bonev, B. B., & Hirst, J. D. (2014). New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations. RSC Advances, 4(89), 48621-48631. https://doi.org/10.1039/c4ra09897h

Lantibiotics are an important class of naturally occurring antimicrobial peptides containing unusual dehydrated amino acid residues. In order to enable molecular dynamics simulations of lantibiotics, we have developed empirical force field parameters... Read More about New CHARMM force field parameters for dehydrated amino acid residues, the key to lantibiotic molecular dynamics simulations.