A practical guide to protein dynamics from 15N spin relaxation in solution

S Morin - Progress in nuclear magnetic resonance spectroscopy, 2011 - Elsevier
It is now well accepted that structures alone cannot explain protein function and biochemical
data. Indeed, dynamics on different timescales play an important role in their function. Many …

Evolution of drug resistance: insight on TEM β-lactamases structure and activity and β-lactam antibiotics

AC Pimenta, R Fernandes… - Mini reviews in medicinal …, 2014 - ingentaconnect.com
Since the discovery of the first penicillin bacterial resistance to β-lactam antibiotics has
spread and evolved promoting new resistances to pathogens. The most common …

A triple mutant in the Ω-loop of TEM-1 β-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis

V Stojanoski, DC Chow, L Hu, B Sankaran… - Journal of Biological …, 2015 - ASBMB
β-Lactamases are bacterial enzymes that hydrolyze β-lactam antibiotics. TEM-1 is a
prevalent plasmid-encoded β-lactamase in Gram-negative bacteria that efficiently catalyzes …

relaxGUI: a new software for fast and simple NMR relaxation data analysis and calculation of ps-ns and μs motion of proteins

M Bieri, EJ d'Auvergne, PR Gooley - Journal of biomolecular NMR, 2011 - Springer
Investigation of protein dynamics on the ps-ns and μs-ms timeframes provides detailed
insight into the mechanisms of enzymes and the binding properties of proteins. Nuclear …

Conformational dynamics of the helix 10 region as an allosteric site in class A β-lactamase inhibitory binding

L Huang, PK So, YW Chen, YC Leung… - Journal of the American …, 2020 - ACS Publications
β-Lactamase inhibitory protein (BLIP) can effectively inactivate class A β-lactamases, but
with very different degrees of potency. Understanding the different roles of BLIP in class A β …

Defining the architecture of KPC-2 Carbapenemase: identifying allosteric networks to fight antibiotics resistance

I Galdadas, S Lovera, G Pérez-Hernández… - Scientific Reports, 2018 - nature.com
The rise of multi-drug resistance in bacterial pathogens is one of the grand challenges
facing medical science. A major concern is the speed of development of β-lactamase …

Applications of NMR and computational methodologies to study protein dynamics

C Narayanan, K Bafna, LD Roux, PK Agarwal… - Archives of biochemistry …, 2017 - Elsevier
Overwhelming evidence now illustrates the defining role of atomic-scale protein flexibility in
biological events such as allostery, cell signaling, and enzyme catalysis. Over the years …

Synergistic applications of MD and NMR for the study of biological systems

O Fisette, P Lagüe, S Gagné… - BioMed Research …, 2012 - Wiley Online Library
Modern biological sciences are becoming more and more multidisciplinary. At the same
time, theoretical and computational approaches gain in reliability and their field of …

Maintenance of native-like protein dynamics may not be required for engineering functional proteins

SMC Gobeil, CM Clouthier, J Park, D Gagné… - Chemistry & biology, 2014 - cell.com
Proteins are dynamic systems, and understanding dynamics is critical for fully understanding
protein function. Therefore, the question of whether laboratory engineering has an impact on …

Machine learning classification model for functional binding modes of TEM-1 β-lactamase

F Wang, L Shen, H Zhou, S Wang, X Wang… - Frontiers in molecular …, 2019 - frontiersin.org
TEM family of enzymes is one of the most commonly encountered β-lactamases groups with
different catalytic capabilities against various antibiotics. Despite the studies investigating …