... of the Biochemical Society 2020 enzyme structure enzyme-substrate interactions isotope labelling magic angle spinning molecular docking protein dynamics Enzyme catalysis is required for the vast majority of biochemical reactions to attain rates compatible with the time scales of living organisms...

... crystal structures of biological molecules were solved. Martin Karplus [ 1 ] provides a view into the history of molecular dynamics and experimental approaches to characterize macromolecular motions including how early efforts to simulate protein dynamics led to the realization that X-ray data capture...

... on behalf of the Biochemical Society 2018 allosteric regulation fractals protein conformation protein dynamics Allostery is a process that regulates the activity of enzymes via binding a modulator at a distal site, sterically different from the chemically active site. It is now well...

... of the Biochemical Society 2016 ABC proteins EPR spectroscopy membrane transport protein dynamics spin labelling Membrane transporter proteins comprise a wide variety of proteins which underpin a diverse range of functions–from the import of vital solutes to the efflux of a multitude of drugs...

... Correspondence may be addressed to either author (email Fraser.MacMillan@uea.ac.uk and thomas.stockner@meduniwien.ac.at ) 1 6 2015 © 2015 Authors; published by Portland Press Limited 2015 EPR MD simulations ABCB1 MsbA DEER PELDOR modelling protein dynamics Knowledge...

...-translational modifications. A powerful tool to study the regulation of membrane signalling enzymes and complexes is hydrogen deuterium exchange–MS (HDX–MS), a technique that allows for the interrogation of protein dynamics upon membrane binding and recruitment. This review will highlight the theory...

...Kristina Lorenzen; Tony Pawson In recent years, HDX-MS (hydrogen–deuterium exchange coupled to MS) on biomolecules has evolved from a niche technique to a powerful method in the investigation of protein dynamics. Protein kinases, in particular, represent an area of active study using this technique...

...-relieving mutations. 1 To whom correspondence should be addressed (email melacin@mcmaster.ca ). 13 11 2013 © The Authors Journal compilation © 2014 Biochemical Society 2014 allostery cAMP cGMP covariance NMR protein dynamics singular value decomposition (SVD...

... To whom correspondence should be addressed (email pau.bernado@cbs.cnrs.fr ). 12 6 2012 © The Authors Journal compilation © 2012 Biochemical Society 2012 intrinsically disordered protein integrative method nuclear magnetic resonance (NMR) protein dynamics small-angle X-ray...

... applications, these investigations provide fundamental insights into protein dynamics. Upon photon absorption, the free p -HBI chromophore undergoes strong twisting around the methylene bridge linking its two cyclic moieties, potentially leading to cis – trans isomerization and accounting for the lack...

...David R. Glowacki; Jeremy N. Harvey; Adrian J. Mulholland One of the most controversial questions in enzymology today is whether protein dynamics are significant in enzyme catalysis. A particular issue in these debates is the unusual temperature-dependence of some kinetic isotope effects for enzyme...

...-ordinating residues. Consequently, the Ca 2+ binding event of CBD1 has to be relayed to the membrane part of the exchanger by other means such as altered protein dynamics or changes in domain orientation. The NMR studies also showed that binding of Ca 2+ reduces the flexibility of the Ca 2+ -binding loops...

... directly activated by cAMP (Epac) nuclear magnetic resonance (NMR) protein dynamics cAMP is an ancient second messenger that controls a multitude of essential cellular processes by binding to downstream receptors. In eukaryotes, two ubiquitous cAMP receptors are PKA (protein kinase...

... and substrate in a reactive configuration from which hydride is transferred by quantum mechanical tunnelling. In the present paper, we review results from experiments that probe the influence of protein dynamics on the chemical step of the reaction catalysed by TmDHFR (DHFR from Thermotoga maritima...

... ]. Throughout the last decade, significant advances have been made in our understanding of the catalytic mechanism of POR, illustrating why it is an excellent model system for studying the role of protein dynamics in enzyme catalysis [ 1 ]. In the present review, we focus on the role of conformational changes...

... that we have spearheaded from our work on quantum mechanical tunnelling effects linked to protein dynamics for H-transfer reactions, we review our recent progress in mapping macroscopic kinetic descriptors to an atomistic understanding of dynamics linked to biological H-tunnelling reactions. 22 6...

... protein (GFP) photobleaching protein dynamics single-molecule enzymology The detection of single catalytic turnovers of a single enzyme molecule using fluorescence methods was reported more than a decade ago [ 1 , 2 ]. The crucial advance that was necessary for single fluorophore detection...

..., dehydration, application of cross-linking agents, embedment in trehalose amorphous matrices etc. could suppress the ET (electron transfer) between Q A and Q B (see [ 3 , 15 , 16 ] and references cited therein). This review is focused on protein dynamics modes that might govern the ET to Q B in the RC...