Publications

Hydrogen-deuterium exchange mass spectrometry captures distinct dynamics upon substrate and inhibitor binding to a transporter

[Nature Communications] Proton-coupled transporters use transmembrane proton gradients to power active transport of nutrients inside …

Perturbed structural dynamics underlie inhibition and altered efflux of the multidrug resistance pump AcrB

[Nature Communications] Resistance–nodulation–division efflux pumps play a key role in inherent and evolved multidrug resistance in …

Analysis of protein-DNA interactions in chromatin by UV induced cross-linking and mass spectrometry

[Nature Communications] Protein–DNA interactions are key to the functionality and stability of the genome. Identification and mapping …

Deuteros 2.0: Peptide-level significance testing of data from hydrogen deuterium exchange mass spectrometry

Deuteros 2.0 features a repertoire of facilities for back exchange correction, data summarization, peptide-level statistical analysis …

Structural predictions of the functions of membrane proteins from HDX-MS

We describe how the use of computational strategies can aid the interpretation of experimental data and enable visualisation of …

Integrating hydrogen–deuterium exchange mass spectrometry with molecular dynamics simulations to probe lipid-modulated conformational changes in membrane proteins

It has become increasingly evident that direct interactions of membrane proteins with their surrounding lipids play key roles in …

Integrative mass spectrometry-based approaches for modelling macromolecular assemblies

Mass spectrometry (MS)-based strategies have emerged as key elements for structural modelling of proteins and their assemblies.

Crystal structure of human zinc-α2-glycoprotein in complex with fatty acid reveals multiple different modes of lipid binding

A new fatty acid site was revealed for two further DAUDA molecules at the ZAG α3 domains.

Structural basis of Cullin 2 RING E3 ligase regulation by the COP9 signalosome

Here we present structures of the neddylated and deneddylated CSN-CRL2 complexes by combining single-particle cryo-electron microscopy …

Deuteros: software for rapid analysis and visualization of data from differential hydrogen deuterium exchange-mass spectrometry

We present Deuteros which is a standalone software designed to be coupled with Waters DynamX HDX data analysis software, allowing the …

A Mass‐Spectrometry‐Based Modelling Workflow for Accurate Prediction of IgG Antibody Conformations in the Gas Phase

Not to be IgG‐nored - An integrative strategy combining ion mobility mass spectrometry (IM‐MS) with molecular modelling can be used to …

Analyzing Protein Architectures and Protein-Ligand Complexes by Integrative Structural Mass Spectrometry

Mass spectrometry (MS) has emerged as an important tool for the investigation of structure and dynamics of macromolecular assemblies. …

Direct protein-lipid interactions shape the conformational landscape of secondary transporters

Here, we combine hydrogen-deuterium exchange mass spectrometry (HDX-MS) with molecular dynamics (MD) simulations to understand how …

Structural Lipids Enable the Formation of Functional Oligomers of the Eukaryotic Purine Symporter UapA

We investigated the effect of membrane lipids in the structure and transport activity of the purine transporter UapA from Aspergillus …

Surface Accessibility and Dynamics of Macromolecular Assemblies Probed by Covalent Labeling Mass Spectrometry and Integrative Modeling

Here we show that covalent labeling of solvent accessible residues followed by their MS-based identification yields modeling restraints …

Mechanistic Insight into the Assembly of the HerA-NurA Helicase-Nuclease DNA End Resection Complex using Native Mass Spectrometry

By combining hybrid mass spectrometry with cryo-EM, computational and biochemical data, we investigate the oligomeric formation of HerA …

Zinc-induced oligomerization of zinc α2 glycoprotein reveals multiple fatty acid-binding sites

Zinc α2 glycoprotein (ZAG) is an adipokine with a class I MHC protein fold and is associated with obesity and diabetes.