Conformational analysis of complex protein states by hydrogen/deuterium exchange mass spectrometry (HDX-MS): Challenges and emerging solutions

E Trabjerg, ZE Nazari, KD Rand - TrAC Trends in Analytical Chemistry, 2018 - Elsevier
Hydrogen/deuterium exchange mass spectrometry (HDX-MS) has within the last 25 years
evolved to become a well-established technique for analysing the solution-phase …

Integrating experiment and theory to understand TCR-pMHC dynamics

AM Buckle, NA Borg - Frontiers in immunology, 2018 - frontiersin.org
The conformational dynamism of proteins is well established. Rather than having a single
structure, proteins are more accurately described as a conformational ensemble that exists …

miR-34a: a new player in the regulation of T cell function by modulation of NF-κB signaling

M Hart, B Walch-Rückheim, KS Friedmann… - Cell death & …, 2019 - nature.com
NF-κB functions as modulator of T cell receptor-mediated signaling and transcriptional
regulator of miR-34a. Our in silico analysis revealed that miR-34a impacts the NF-κB …

Computational modeling of molecular structures guided by hydrogen-exchange data

D Devaurs, DA Antunes, AJ Borysik - Journal of the American …, 2022 - ACS Publications
Data produced by hydrogen-exchange monitoring experiments have been used in structural
studies of molecules for several decades. Despite uncertainties about the structural …

The deterministic role of 5-mers in microRNA-gene targeting

M Hart, F Kern, C Backes, S Rheinheimer… - RNA biology, 2018 - Taylor & Francis
MiRNAs play a central role in physiological and pathological processes. Both for the
biological understanding and for their clinical application, it is essential to understand the …

Unraveling the allosteric communication mechanisms in T-cell receptor–peptide-loaded major histocompatibility complex dynamics using molecular dynamics …

EN Bingol, O Sercinoglu, P Ozbek - Journal of Chemical …, 2021 - ACS Publications
Antigen presentation by major histocompatibility complex (MHC) proteins to T-cell receptors
(TCRs) plays a crucial role in triggering the adaptive immune response. Most of our …

Probing the conformational dynamics of affinity-enhanced T cell receptor variants upon binding the peptide-bound major histocompatibility complex by Hydrogen …

PS Merkle, E Trabjerg, S Hongjian, M Ferber… - Biochemistry, 2021 - ACS Publications
Binding of the T cell receptor (TCR) to its cognate, peptide antigen-loaded major
histocompatibility complex (pMHC) is a key interaction for triggering T cell activation and …

Structural dynamics and immunogenicity of the recombinant and outer membrane vesicle-embedded Meningococcal antigen NadA

V Calvaresi, L Dello Iacono, S Borghi, E Luzzi… - bioRxiv, 2024 - biorxiv.org
The structure and conformation adopted by protein vaccine antigens significantly influence
the exposure of their antigenic determinants. Structural knowledge of antigens in native state …