Computational modeling of realistic cell membranes
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …
Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation
The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …
cell, where key processes such as selective transport of material and exchange of …
High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane
INTRODUCTION The mitochondrial adenosine triphosphate (ATP) synthase is the enzyme
responsible for the synthesis of more than 90% of the ATP produced by mammalian cells …
responsible for the synthesis of more than 90% of the ATP produced by mammalian cells …
CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues
Abstract CHARMM-GUI, http://www. charmm-gui. org, is a web-based graphical user
interface to prepare molecular simulation systems and input files to facilitate the usage of …
interface to prepare molecular simulation systems and input files to facilitate the usage of …
Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
Membrane transporters of the RND superfamily confer multidrug resistance to pathogenic
bacteria, and are essential for cholesterol metabolism and embryonic development in …
bacteria, and are essential for cholesterol metabolism and embryonic development in …
An embedded lipid in the multidrug transporter LmrP suggests a mechanism for polyspecificity
Multidrug efflux pumps present a challenge to the treatment of bacterial infections, making it
vitally important to understand their mechanism of action. Here, we investigate the nature of …
vitally important to understand their mechanism of action. Here, we investigate the nature of …
Structure of the c10 ring of the yeast mitochondrial ATP synthase in the open conformation
J Symersky, V Pagadala, D Osowski, A Krah… - Nature structural & …, 2012 - nature.com
The proton pore of the F1Fo ATP synthase consists of a ring of c subunits, which rotates,
driven by downhill proton diffusion across the membrane. An essential carboxylate side …
driven by downhill proton diffusion across the membrane. An essential carboxylate side …
Asymmetric drug binding in an ATP-loaded inward-facing state of an ABC transporter
Substrate efflux by ATP-binding cassette (ABC) transporters, which play a major role in
multidrug resistance, entails the ATP-powered interconversion between transporter …
multidrug resistance, entails the ATP-powered interconversion between transporter …
Bedaquiline inhibits the yeast and human mitochondrial ATP synthases
Bedaquiline (BDQ, Sirturo) has been approved to treat multidrug resistant forms of
Mycobacterium tuberculosis. Prior studies suggested that BDQ was a selective inhibitor of …
Mycobacterium tuberculosis. Prior studies suggested that BDQ was a selective inhibitor of …
Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Abstract Na+/Ca2+ exchangers use the Na+ electrochemical gradient across the plasma
membrane to extrude intracellular Ca2+ and play a central role in Ca2+ homeostasis. Here …
membrane to extrude intracellular Ca2+ and play a central role in Ca2+ homeostasis. Here …