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Conformational landscapes of rigid and flexible molecules explored with variable temperature ion mobility-mass spectrometry

Measurements of the conformations adopted by isolated proteins at low temperatures show remarkable plasticity including substantial cold induced restructuring and complex frozen conformational landscapes for disordered proteins in the absence of solvent.

Xudong Wang
Emma Norgate
Perdita E. Barran
ResearchOpen Access06 May 2025
Nature Communications

Volume: 16, P: 1-13
Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits

Paramagnetic heterometallic rings have long been considered as possible qubits within a quantum information processing system. Here, the authors employ supramolecular chemistry to fabricate multiple rings around multi-armed threads, as an important step towards generating useful qubit arrays.

Antonio Fernandez
Jesus Ferrando-Soria
Richard E.P. Winpenny
ResearchOpen Access08 Jan 2016
Nature Communications

Volume: 7, P: 1-6
Mass spectrometry locates local and allosteric conformational changes that occur on cofactor binding

The decarboxylate enzyme Fdc1 requires a prenylated flavin mononucleotide co-factor for activity. Here, the authors use a variety of mass spectrometric techniques to observe the structural changes in this protein in response to co-factor binding.

Rebecca Beveridge
Lukasz G. Migas
Perdita E. Barran
ResearchOpen Access15 Jul 2016
Nature Communications

Volume: 7, P: 1-9
Metabolomics of sebum reveals lipid dysregulation in Parkinson’s disease

Studies of metabolites in neurodegeneration have not yet used sebum as a source fluid. Here the authors demonstrate the potential of metabolomics of sebum samples from individuals with Parkinson’s disease and controls.

Eleanor Sinclair
Drupad K. Trivedi
Perdita Barran
ResearchOpen Access11 Mar 2021
Nature Communications

Volume: 12, P: 1-9
Formation and characterization of polymetallic {Cr_xM_y} rings in vacuo

Polymetallic rings are formed via the collision-induced dissociation of larger complexes. Ion mobility mass spectrometry can be used to determine whether the formed polymetallic complexes are cyclic or acyclic.

Niklas Geue
Grigore A. Timco
Perdita E. Barran
ResearchOpen Access04 Sept 2023
Nature Synthesis

Volume: 2, P: 926-936
Classification of Parkinson’s disease and isolated REM sleep behaviour disorder: delineating progression markers from the sebum volatilome

Caitlin Walton-Doyle
Beatrice Heim
Drupad K. Trivedi
ResearchOpen Access15 Jul 2025
npj Parkinson's Disease

Volume: 11, P: 1-7
How storage post sampling influences the stability of sebum when used for mass spectrometry metabolomics analysis?

Caitlin Walton-Doyle
Eleanor Sinclair
Perdita Barran
ResearchOpen Access17 Sept 2024
Scientific Reports

Volume: 14, P: 1-8
Direct analysis of biotransformations with mass spectrometry—DiBT-MS

Engineering enzymes capable of performing chemical transformations requires high-throughput assays to screen activity. In this protocol, reactions in cell lysates are analyzed directly by desorption electrospray ionization (DESI) mass spectrometry.

Ruth Knox
Rachel Smith
Perdita E. Barran
Protocols21 Apr 2025
Nature Protocols

P: 1-19
Horner–Wadsworth–Emmons olefination of proteins and glycoproteins

Aldehyde-bearing proteins are shown to be suitable substrates for Horner–Wadsworth–Emmons reactions. Applying this process to proteins and glycoproteins enables site-specific bioconjugation with tunable reaction kinetics.

Antonio Angelastro
Alexey Barkhanskiy
Sabine L. Flitsch
ResearchOpen Access14 Jun 2024
Nature Synthesis

Volume: 3, P: 976-985
Uncoupling conformational states from activity in an allosteric enzyme

Active and inactive state ATP-phosphoribosyltransferases (ATP-PRTs) are believed to have different conformations. Here the authors show that in both states, ATP-PRT has a similar structural arrangement, suggesting that dynamic alterations are involved in ATP-PRT regulation by allosteric modulators.

João P. Pisco
Cesira de Chiara
Luiz Pedro S. de Carvalho
ResearchOpen Access07 Aug 2017
Nature Communications

Volume: 8, P: 1-10
Deciphering the safeguarding role of cysteine residues in p53 against H₂O₂-induced oxidation using high-resolution native mass spectrometry

Transcription factor p53 is sensitive and selective to a broad variety of cellular environments, with oxidative stress demonstrated to weaken p53-DNA binding for certain promoters, but the precise mechanisms by which the physiologically relevant DNA-p53 tetramer complex senses cellular stresses caused by H₂O₂ remain unknown. Here, native mass spectrometry and ion mobility–mass spectrometry are coupled with chemical labelling and H₂O₂-induced oxidation to probe the mechanism of redox regulation of the p53-p21 complex.

Manuel David Peris-Díaz
Artur Krężel
Perdita Barran
ResearchOpen Access15 Jan 2025
Communications Chemistry

Volume: 8, P: 1-14
The photochemical mechanism of a B₁₂-dependent photoreceptor protein

Coenzyme B12 traditionally acts as cofactor to light-independent metabolic enzymes in bacteria and humans. Here, Kutta et al.present a time-resolved photochemical description of a B12-dependent photoreceptor protein, which represents a mechanistic foundation for B12 photobiology.

Roger J. Kutta
Samantha J. O. Hardman
Alex R. Jones
ResearchOpen Access12 Aug 2015
Nature Communications

Volume: 6, P: 1-11
New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition

The Fdc1 protein from Aspergillus niger (which is homologous to the UbiD enzyme) uses a new prenylated flavin cofactor to achieve 1,3-dipolar cycloaddition chemistry and catalyse the reversible decarboxylation of aromatic carboxylic acids.

Karl A. P. Payne
Mark D. White
David Leys
Research17 Jun 2015
Nature

Volume: 522, P: 497-501
Large-scale phenotyping of patients with long COVID post-hospitalization reveals mechanistic subtypes of disease

Openshaw and colleagues find myeloid inflammation and complement activation signatures in patients with long COVID who were previously hospitalized.

Felicity Liew
Claudia Efstathiou
J. Eunice Zhang
ResearchOpen Access08 Apr 2024
Nature Immunology

Volume: 25, P: 607-621
Baseline proteomics characterisation of the emerging host biomanufacturing organism Halomonas bluephagenesis

Matthew Russell
Andrew Currin
Nigel S. Scrutton
ResearchOpen Access13 Aug 2022
Scientific Data

Volume: 9, P: 1-9
Bile salts enhance the susceptibility of the peach allergenic lipid transfer protein, Pru p 3, to in vitro gastrointestinal proteolysis

Kai Wang
Judit Gali-Moya
E. N. Clare Mills
ResearchOpen Access13 Sept 2023
Scientific Reports

Volume: 13, P: 1-11
An integrated analysis and comparison of serum, saliva and sebum for COVID-19 metabolomics

Matt Spick
Holly-May Lewis
Melanie J. Bailey
ResearchOpen Access13 Jul 2022
Scientific Reports

Volume: 12, P: 1-12
An automated Design-Build-Test-Learn pipeline for enhanced microbial production of fine chemicals

Pablo Carbonell et al. present an automated pipeline for the discovery and optimization of biosynthetic pathways for microbial production of fine chemicals. They apply their pipeline to the production of the flavonoid (2S)-pinocembrin in Escherichia coli and show improvement of the pathway by 500-fold.

Pablo Carbonell
Adrian J. Jervis
Nigel S. Scrutton
ResearchOpen Access08 Jun 2018
Communications Biology

Volume: 1, P: 1-10
Consequences of point mutations in melanoma-associated antigen 4 (MAGE-A4) protein: Insights from structural and biophysical studies

Yoshio Hagiwara
Lina Sieverling
Penka V. Nikolova
ResearchOpen Access28 Apr 2016
Scientific Reports

Volume: 6, P: 1-12

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Conformational landscapes of rigid and flexible molecules explored with variable temperature ion mobility-mass spectrometry

Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits

Mass spectrometry locates local and allosteric conformational changes that occur on cofactor binding

Metabolomics of sebum reveals lipid dysregulation in Parkinson’s disease

Formation and characterization of polymetallic {Cr_xM_y} rings in vacuo

Classification of Parkinson’s disease and isolated REM sleep behaviour disorder: delineating progression markers from the sebum volatilome

How storage post sampling influences the stability of sebum when used for mass spectrometry metabolomics analysis?

Direct analysis of biotransformations with mass spectrometry—DiBT-MS

Horner–Wadsworth–Emmons olefination of proteins and glycoproteins

Uncoupling conformational states from activity in an allosteric enzyme

Deciphering the safeguarding role of cysteine residues in p53 against H₂O₂-induced oxidation using high-resolution native mass spectrometry

The photochemical mechanism of a B₁₂-dependent photoreceptor protein

New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition

Large-scale phenotyping of patients with long COVID post-hospitalization reveals mechanistic subtypes of disease

Baseline proteomics characterisation of the emerging host biomanufacturing organism Halomonas bluephagenesis

Bile salts enhance the susceptibility of the peach allergenic lipid transfer protein, Pru p 3, to in vitro gastrointestinal proteolysis

An integrated analysis and comparison of serum, saliva and sebum for COVID-19 metabolomics

An automated Design-Build-Test-Learn pipeline for enhanced microbial production of fine chemicals

Consequences of point mutations in melanoma-associated antigen 4 (MAGE-A4) protein: Insights from structural and biophysical studies

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