Polyunsaturated fatty acids inhibit a pentameric ligand-gated ion channel through one of two binding sites

State-dependent protein-lipid interactions of a pentameric ligand-gated ion channel in a neuronal membrane

(2021) Marc A. Dämgen et al.   PLoS Computational Biology

Spontaneous lipid binding to the nicotinic acetylcholine receptor in a native membrane

(2021) Liam Sharp et al.   JOURNAL OF CHEMICAL PHYSICS

Identification of PUFA interaction sites on the cardiac potassium channel KCNQ1

(2021) Samira Yazdi et al.   JOURNAL OF GENERAL PHYSIOLOGY

Regulation of a pentameric ligand-gated ion channel by a semiconserved cationic lipid-binding site

(2021) Akshay Sridhar et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Structure and function at the lipid–protein interface of a pentameric ligand-gated ion channel

(2021) Pramod Kumar et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer

(2020) Pramod Kumar et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Scalable molecular dynamics on CPU and GPU architectures with NAMD

(2020) James C. Phillips et al.   JOURNAL OF CHEMICAL PHYSICS

Site-specific effects of neurosteroids on GABAA receptor activation and desensitization

(2020) Yusuke Sugasawa et al.   eLife

Boundary lipids of the nicotinic acetylcholine receptor: Spontaneous partitioning via coarse-grained molecular dynamics simulation

(2019) Liam Sharp et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

The Molecular Determinants of Neurosteroid Binding in the GABA(A) Receptor

(2019) Yusuke Sugasawa et al.   JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY

Ceramides bind VDAC2 to trigger mitochondrial apoptosis

(2019) Shashank Dadsena et al.   Nature Communications

Pitfalls of the Martini Model

(2019) Riccardo Alessandri et al.   Journal of Chemical Theory and Computation

A lipid site shapes the agonist response of a pentameric ligand-gated ion channel

(2019) Camille M. Hénault et al.   Nature Chemical Biology

Direct binding of phosphatidylglycerol at specific sites modulates desensitization of a ligand-gated ion channel

(2019) Ailing Tong et al.   eLife

How lipids contribute to ion channel function, a fat perspective on direct and indirect interactions

(2018) Julio F Cordero-Morales et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Mapping two neurosteroid-modulatory sites in the prototypic pentameric ligand-gated ion channel GLIC

(2018) Wayland W. L. Cheng et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The dual-gate model for pentameric ligand-gated ion channels activation and desensitization

(2018) Marc Gielen et al.   JOURNAL OF PHYSIOLOGY-LONDON

Common binding sites for cholesterol and neurosteroids on a pentameric ligand-gated ion channel

(2018) Melissa M. Budelier et al.   BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS

Photoaffinity labeling with cholesterol analogues precisely maps a cholesterol-binding site in voltage-dependent anion channel-1

(2017) Melissa M. Budelier et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Crystal structure and dynamics of a lipid-induced potential desensitized-state of a pentameric ligand-gated channel

(2017) Sandip Basak et al.   eLife

Polyunsaturated fatty acids inhibit Kv1.4 by interacting with positively charged extracellular pore residues

(2016) N. E. Farag et al.   AMERICAN JOURNAL OF PHYSIOLOGY-CELL PHYSIOLOGY

Common Anesthetic-binding Site for Inhibition of Pentameric Ligand-gated Ion Channels

(2016) Monica N. Kinde et al.   ANESTHESIOLOGY

Docosahexaenoic acid: one molecule diverse functions

(2016) Michio Hashimoto et al.   CRITICAL REVIEWS IN BIOTECHNOLOGY

TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action

(2016) Yuan Gao et al.   NATURE

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

(2016) Jing Huang et al.   NATURE METHODS

Atomic determinants of BK channel activation by polyunsaturated fatty acids

(2016) Yutao Tian et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Molecular Basis of Polyunsaturated Fatty Acid Interactions with the Shaker Voltage-Gated Potassium Channel

(2016) Samira Yazdi et al.   PLoS Computational Biology

Fatty Acid Regulation of Voltage- and Ligand-Gated Ion Channel Function

(2016) Silvia S. Antollini et al.   Frontiers in Physiology

Bayesian Deconvolution of Mass and Ion Mobility Spectra: From Binary Interactions to Polydisperse Ensembles

(2015) Michael T. Marty et al.   ANALYTICAL CHEMISTRY

Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations

(2015) Tsjerk A. Wassenaar et al.   Journal of Chemical Theory and Computation

Conformational Changes Underlying Desensitization of the Pentameric Ligand-Gated Ion Channel ELIC

(2015) Monica N. Kinde et al.   STRUCTURE

Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC

(2015) Qiang Chen et al.   Scientific Reports

Fat & fabulous: Bifunctional lipids in the spotlight

(2014) Per Haberkant et al.   BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

(2014) Emilia L. Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Phosphatidic acid modulation of Kv channel voltage sensor function

(2014) Richard K Hite et al.   eLife

In Vivo Profiling and Visualization of Cellular Protein-Lipid Interactions Using Bifunctional Fatty Acids

(2013) Per Haberkant et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Selective reduction of excitatory hippocampal sharp waves by docosahexaenoic acid and its methyl ester analog ex-vivo

(2013) Ameer Y. Taha et al.   BRAIN RESEARCH

Perspective on the Martini model

(2013) Siewert J. Marrink et al.   CHEMICAL SOCIETY REVIEWS

Multisite Binding of a General Anesthetic to the Prokaryotic PentamericErwinia chrysanthemiLigand-gated Ion Channel (ELIC)

(2013) Radovan Spurny et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Proteome-wide mapping of cholesterol-interacting proteins in mammalian cells

(2013) Jonathan J Hulce et al.   NATURE METHODS

Macroscopic Kinetics of Pentameric Ligand Gated Ion Channels: Comparisons between Two Prokaryotic Channels and One Eukaryotic Channel

(2013) Kurt T. Laha et al.   PLoS One

Secondary anionic phospholipid binding site and gating mechanism in Kir2.1 inward rectifier channels

(2013) Sun-Joo Lee et al.   Nature Communications

Improved Parameters for the Martini Coarse-Grained Protein Force Field

(2012) Djurre H. de Jong et al.   Journal of Chemical Theory and Computation

Dual-Mode Phospholipid Regulation of Human Inward Rectifying Potassium Channels

(2011) Wayland W.L. Cheng et al.   BIOPHYSICAL JOURNAL

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

Structural basis of PIP2 activation of the classical inward rectifier K+ channel Kir2.2

(2011) Scott B. Hansen et al.   NATURE

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition

(2009) Xavier Periole et al.   Journal of Chemical Theory and Computation

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Lipoelectric Modification of Ion Channel Voltage Gating by Polyunsaturated Fatty Acids

(2008) Sara I. Börjesson et al.   BIOPHYSICAL JOURNAL

Dose-dependent anticonvulsant effects of linoleic and α-linolenic polyunsaturated fatty acids on pentylenetetrazol induced seizures in rats

(2008) Ameer Y. Taha et al.   EPILEPSIA

Modulation of Nicotinic Acetylcholine Receptor Conformational State by Free Fatty Acids and Steroids

(2008) Gaspar A. Fernández Nievas et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

X-ray structure of a prokaryotic pentameric ligand-gated ion channel

(2008) Ricarda J. C. Hilf et al.   NATURE