Conformational dynamics of a neurotransmitter:sodium symporter in a lipid bilayer

Membrane Interactions, Ligand-Dependent Dynamics, and Stability of Cytochrome P4503A4 in Lipid Nanodiscs

(2016) Nicholas A. Treuheit et al.   BIOCHEMISTRY

Lipids modulate the conformational dynamics of a secondary multidrug transporter

(2016) Chloé Martens et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

A conserved leucine occupies the empty substrate site of LeuT in the Na+-free return state

(2016) Lina Malinauskaite et al.   Nature Communications

Lipids modulate the conformational dynamics of a secondary multidrug transporter

(2016) Chloé Martens et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

The Environment Shapes the Inner Vestibule of LeuT

(2016) Azmat Sohail et al.   PLoS Computational Biology

Asymmetric Preorganization of Inverted Pair Residues in the Sodium-Calcium Exchanger

(2016) Moshe Giladi et al.   Scientific Reports

Properties of an Inward-Facing State of LeuT: Conformational Stability and Substrate Release

(2015) Julie Grouleff et al.   BIOPHYSICAL JOURNAL

Mechanism of the Association between Na+Binding and Conformations at the Intracellular Gate in Neurotransmitter:Sodium Symporters

(2015) Sebastian Stolzenberg et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Two Na+Sites Control Conformational Change in a Neurotransmitter Transporter Homolog

(2015) Sotiria Tavoulari et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Energy landscape of LeuT from molecular simulations

(2015) Mert Gur et al.   JOURNAL OF CHEMICAL PHYSICS

How amide hydrogens exchange in native proteins

(2015) Filip Persson et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Conformational states of the full-length glucagon receptor

(2015) Linlin Yang et al.   Nature Communications

A Conformational Investigation of Propeptide Binding to the Integral Membrane Protein γ-Glutamyl Carboxylase Using Nanodisc Hydrogen Exchange Mass Spectrometry

(2014) Christine H. Parker et al.   BIOCHEMISTRY

Functional Dynamics of Hexameric Helicase Probed by Hydrogen Exchange and Simulation

(2014) Gaël Radou et al.   BIOPHYSICAL JOURNAL

Conformational dynamics of ligand-dependent alternating access in LeuT

(2014) Kelli Kazmier et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Activity-regulating structural changes and autoantibody epitopes in transglutaminase 2 assessed by hydrogen/deuterium exchange

(2014) Rasmus Iversen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Complete Mapping of Substrate Translocation Highlights the Role of LeuT N-terminal Segment in Regulating Transport Cycle

(2014) Mary Hongying Cheng et al.   PLoS Computational Biology

Use of Electron Paramagnetic Resonance To Solve Biochemical Problems

(2013) Indra D. Sahu et al.   BIOCHEMISTRY

Radioligand Binding to Nanodisc-Reconstituted Membrane Transporters Assessed by the Scintillation Proximity Assay

(2013) Mahmoud L. Nasr et al.   BIOCHEMISTRY

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Analysis of Overlapped and Noisy Hydrogen/Deuterium Exchange Mass Spectra

(2013) Miklos Guttman et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

DEER Distance Measurements on Proteins

(2012) Gunnar Jeschke   Annual Review of Physical Chemistry

Biological insights from hydrogen exchange mass spectrometry

(2012) Sheila S. Jaswal   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Ion-Controlled Conformational Dynamics in the Outward-Open Transition from an Occluded State of LeuT

(2012) Chunfeng Zhao et al.   BIOPHYSICAL JOURNAL

Partial cooperative unfolding in proteins as observed by hydrogen exchange mass spectrometry

(2012) John R. Engen et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

(2012) Robert B. Best et al.   Journal of Chemical Theory and Computation

X-ray structures of LeuT in substrate-free outward-open and apo inward-open states

(2012) Harini Krishnamurthy et al.   NATURE

Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context

(2012) Hui Wang et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Experimental conditions can obscure the second high-affinity site in LeuT

(2012) Matthias Quick et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

A Two-Stage Model for Lipid Modulation of the Activity of Integral Membrane Proteins

(2012) Martín M. Dodes Traian et al.   PLoS One

GRIFFIN: A Versatile Methodology for Optimization of Protein−Lipid Interfaces for Membrane Protein Simulations

(2011) René Staritzbichler et al.   Journal of Chemical Theory and Computation

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

(2011) Naveen Michaud-Agrawal et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Substrate-modulated gating dynamics in a Na+-coupled neurotransmitter transporter homologue

(2011) Yongfang Zhao et al.   NATURE

SLC6 Neurotransmitter Transporters: Structure, Function, and Regulation

(2011) A. S. Kristensen et al.   PHARMACOLOGICAL REVIEWS

Fine Details of IGF-1R Activation, Inhibition, and Asymmetry Determined by Associated Hydrogen /Deuterium-Exchange and Peptide Mass Mapping

(2011) Damian Houde et al.   STRUCTURE

Ligand-Dependent Perturbation of the Conformational Ensemble for the GPCR β2 Adrenergic Receptor Revealed by HDX

(2011) Graham M. West et al.   STRUCTURE

Conformational Analysis of Membrane Proteins in Phospholipid Bilayer Nanodiscs by Hydrogen Exchange Mass Spectrometry

(2010) Christine M. Hebling et al.   ANALYTICAL CHEMISTRY

Membrane Cholesterol Modulates the Outward Facing Conformation of the Dopamine Transporter and Alters Cocaine Binding

(2010) Weimin C. Hong et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The Utility of Hydrogen/Deuterium Exchange Mass Spectrometry in Biopharmaceutical Comparability Studies

(2010) Damian Houde et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

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

Single-molecule dynamics of gating in a neurotransmitter transporter homologue

(2010) Yongfang Zhao et al.   NATURE

Neurotransmitter/sodium symporter orthologue LeuT has a single high-affinity substrate site

(2010) Chayne L. Piscitelli et al.   NATURE

Maltose–neopentyl glycol (MNG) amphiphiles for solubilization, stabilization and crystallization of membrane proteins

(2010) Pil Seok Chae et al.   NATURE METHODS

Ion/substrate-dependent conformational dynamics of a bacterial homolog of neurotransmitter:sodium symporters

(2010) Derek P Claxton et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Molecular Basis of Alternating Access Membrane Transport by the Sodium-Hydantoin Transporter Mhp1

(2010) T. Shimamura et al.   SCIENCE

Characterization of IgG1 Conformation and Conformational Dynamics by Hydrogen/Deuterium Exchange Mass Spectrometry

(2009) Damian Houde et al.   ANALYTICAL CHEMISTRY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Fluoxetine (Prozac) Binding to Serotonin Transporter Is Modulated by Chloride and Conformational Changes

(2009) S. Tavoulari et al.   JOURNAL OF NEUROSCIENCE

Characterization of Membrane−Protein Interactions for the Leucine Transporter fromAquifex aeolicusby Molecular Dynamics Calculations†

(2009) Diego A. Pantano et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Close Encounters of the Oily Kind: Regulation of Transporters by Lipids

(2009) C. B. Divito et al.   MOLECULAR INTERVENTIONS

The Rocking Bundle: A Mechanism for Ion-Coupled Solute Flux by Symmetrical Transporters

(2009) Lucy R. Forrest et al.   PHYSIOLOGY

Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation

(2009) M. Quick et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

An Intracellular Interaction Network Regulates Conformational Transitions in the Dopamine Transporter

(2008) Julie Kniazeff et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

The neuronal glycine transporter GLYT2 associates with membrane rafts: functional modulation by lipid environment

(2008) Enrique Núñez et al.   JOURNAL OF NEUROCHEMISTRY

A practical guide to single-molecule FRET

(2008) Rahul Roy et al.   NATURE METHODS

Mechanism for alternating access in neurotransmitter transporters

(2008) L. R. Forrest et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A Competitive Inhibitor Traps LeuT in an Open-to-Out Conformation

(2008) S. K. Singh et al.   SCIENCE