Metallochaperones and metalloregulation in bacteria

DA Capdevila, KA Edmonds… - Essays in biochemistry, 2017 - portlandpress.com
Bacterial transition metal homoeostasis or simply 'metallostasis' describes the process by
which cells control the intracellular availability of functionally required metal cofactors, from …

Solution NMR spectroscopy for the study of enzyme allostery

GP Lisi, JP Loria - Chemical reviews, 2016 - ACS Publications
Allostery is a ubiquitous biological regulatory process in which distant binding sites within a
protein or enzyme are functionally and thermodynamically coupled. Allosteric interactions …

Rational design of particle mesh Ewald compatible Lennard-Jones parameters for+ 2 metal cations in explicit solvent

P Li, BP Roberts, DK Chakravorty… - Journal of chemical …, 2013 - ACS Publications
Metal ions play significant roles in biological systems. Accurate molecular dynamics (MD)
simulations on these systems require a validated set of parameters. Although there are more …

Recent developments in copper and zinc homeostasis in bacterial pathogens

JJ Braymer, DP Giedroc - Current opinion in chemical biology, 2014 - Elsevier
Highlights•The 'fight over copper and zinc'at the host–pathogen interface is
discussed.•Proteins involved in copper and zinc trafficking and sensing are …

NMR and computational methods for molecular resolution of allosteric pathways in enzyme complexes

KW East, E Skeens, JY Cui, HB Belato, B Mitchell… - Biophysical …, 2020 - Springer
Allostery is a ubiquitous biological mechanism in which a distant binding site is coupled to
and drastically alters the function of a catalytic site in a protein. Allostery provides a high …

Recent advances in computational methods for biosensor design

Z Khoshbin, MR Housaindokht… - Biotechnology and …, 2021 - Wiley Online Library
Biosensors are analytical tools with a great application in healthcare, food quality control,
and environmental monitoring. They are of considerable interest to be designed by using …

[HTML][HTML] Molecular simulations of metal-coupled protein folding

W Li, J Wang, J Zhang, W Wang - Current opinion in structural biology, 2015 - Elsevier
Highlights•Key interaction features due to metal binding in metalloproteins were
discussed.•Progress on molecular simulations of metalloprotein folding with diverse models …

AsIII Selectively Induces a Disorder-to-Order Transition in the Metalloid Binding Region of the AfArsR Protein

A Tóth, K Sajdik, B Gyurcsik, ZH Nafaee… - Journal of the …, 2024 - ACS Publications
Arsenic is highly toxic and a significant threat to human health, but certain bacteria have
developed defense mechanisms initiated by AsIII binding to AsIII-sensing proteins of the …

Functional role of solvent entropy and conformational entropy of metal binding in a dynamically driven allosteric system

DA Capdevila, KA Edmonds… - Journal of the …, 2018 - ACS Publications
Allostery is a regulatory phenomenon whereby ligand binding to one site influences the
binding of the same or a different ligand to another site on a macromolecule. The physical …

Tuning site-specific dynamics to drive allosteric activation in a pneumococcal zinc uptake regulator

DA Capdevila, F Huerta, KA Edmonds, MT Le, H Wu… - Elife, 2018 - elifesciences.org
MarR (multiple antibiotic resistance repressor) family proteins are bacterial repressors that
regulate transcription in response to a wide range of chemical signals. Although specific …