[HTML][HTML] The structure and regulation of magnesium selective ion channels

J Payandeh, R Pfoh, EF Pai - Biochimica et Biophysica Acta (BBA) …, 2013 - Elsevier
Abstract The magnesium ion (Mg 2+) is the most abundant divalent cation within cells. In
man, Mg 2+-deficiency is associated with diseases affecting the heart, muscle, bone …

Molecular basis of Mg2+ permeation through the human mitochondrial Mrs2 channel

M Li, Y Li, Y Lu, J Li, X Lu, Y Ren, T Wen… - Nature …, 2023 - nature.com
Abstract Mitochondrial RNA splicing 2 (Mrs2), a eukaryotic CorA ortholog, enables Mg2+ to
permeate the inner mitochondrial membrane and plays an important role in mitochondrial …

Mg2+-dependent conformational equilibria in CorA and an integrated view on transport regulation

NT Johansen, M Bonaccorsi, T Bengtsen, AH Larsen… - Elife, 2022 - elifesciences.org
The CorA family of proteins regulates the homeostasis of divalent metal ions in many
bacteria, archaea, and eukaryotic mitochondria, making it an important target in the …

Amphipathic lipid packing sensor motifs: probing bilayer defects with hydrophobic residues

S Vanni, L Vamparys, R Gautier, G Drin, C Etchebest… - Biophysical journal, 2013 - cell.com
Sensing membrane curvature allows fine-tuning of complex reactions that occur at the
surface of membrane-bound organelles. One of the most sensitive membrane curvature …

Sitting at the edge: How biomolecules use hydrophobicity to tune their interactions and function

AJ Patel, P Varilly, SN Jamadagni… - The Journal of …, 2012 - ACS Publications
Water near extended hydrophobic surfaces is like that at a liquid–vapor interface, where
fluctuations in water density are substantially enhanced compared to those in bulk water …

Molecular dynamics simulations of phosphatidylcholine membranes: a comparative force field study

TJ Piggot, A Pineiro, S Khalid - Journal of chemical theory and …, 2012 - ACS Publications
Molecular dynamics simulations provide a route to studying the dynamics of lipid bilayers at
atomistic or near atomistic resolution. Over the past 10 years or so, molecular dynamics …

Conical lipids in flat bilayers induce packing defects similar to that induced by positive curvature

L Vamparys, R Gautier, S Vanni, WFD Bennett… - Biophysical journal, 2013 - cell.com
In biological membranes, changes in lipid composition or mechanical deformations produce
defects in the geometrical arrangement of lipids, thus allowing the adsorption of certain …

Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms

LTF Lai, J Balaraman, F Zhou, D Matthies - Nature Communications, 2023 - nature.com
Abstract Magnesium ions (Mg2+) play an essential role in cellular physiology. In
mitochondria, protein and ATP synthesis and various metabolic pathways are directly …

Automated cryo-EM structure refinement using correlation-driven molecular dynamics

M Igaev, C Kutzner, LV Bock, AC Vaiana, H Grubmüller - Elife, 2019 - elifesciences.org
We present a correlation-driven molecular dynamics (CDMD) method for automated
refinement of atomistic models into cryo-electron microscopy (cryo-EM) maps at resolutions …

Statistical convergence of equilibrium properties in simulations of molecular solutes embedded in lipid bilayers

C Neale, WFD Bennett, DP Tieleman… - Journal of Chemical …, 2011 - ACS Publications
In recent years, atomistic molecular simulations have become a method of choice for
studying the interaction of small molecules, peptides, and proteins with biological …