Conformational Dynamics on the Extracellular Side of LeuT Controlled by Na+and K+Ions and the Protonation State of Glu290

Role of Annular Lipids in the Functional Properties of Leucine Transporter LeuT Proteomicelles

(2016) Michael V. LeVine et al.   BIOCHEMISTRY

Computational approaches to detect allosteric pathways in transmembrane molecular machines

(2016) Sebastian Stolzenberg et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Allosteric Mechanisms of Molecular Machines at the Membrane: Transport by Sodium-Coupled Symporters

(2016) Michael V. LeVine et al.   CHEMICAL REVIEWS

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

(2016) Lina Malinauskaite et al.   Nature Communications

Spontaneous Inward Opening of the Dopamine Transporter Is Triggered by PIP2-Regulated Dynamics of the N-Terminus

(2015) George Khelashvili et al.   ACS Chemical Neuroscience

Substrate-induced Unlocking of the Inner Gate Determines the Catalytic Efficiency of a Neurotransmitter:Sodium Symporter

(2015) Christian B. Billesbølle et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

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

X-ray structures of Drosophila dopamine transporter in complex with nisoxetine and reboxetine

(2015) Aravind Penmatsa et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Octopamine mediates starvation-induced hyperactivity in adultDrosophila

(2015) Zhe Yang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computational modeling of the N-terminus of the human dopamine transporter and its interaction with PIP2-containing membranes

(2015) George Khelashvili et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

X-ray structures of Drosophila dopamine transporter in complex with nisoxetine and reboxetine

(2015) Aravind Penmatsa et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Microseconds Simulations Reveal a New Sodium-binding Site and the Mechanism of Sodium-coupled Substrate Uptake by LeuT

(2014) Elia Zomot et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The Second Sodium Site in the Dopamine Transporter Controls Cation Permeation and Is Regulated by Chloride

(2014) Lars Borre et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Conformational dynamics of ligand-dependent alternating access in LeuT

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

Conformational cycle and ion-coupling mechanism of the Na+/hydantoin transporter Mhp1

(2014) K. Kazmier 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

NbIT - A New Information Theory-Based Analysis of Allosteric Mechanisms Reveals Residues that Underlie Function in the Leucine Transporter LeuT

(2014) Michael V. LeVine et al.   PLoS Computational Biology

Coupled Global and Local Changes Direct Substrate Translocation by Neurotransmitter-Sodium Symporter Ortholog LeuT

(2013) Mary Hongying Cheng et al.   BIOPHYSICAL JOURNAL

The cost of living in the membrane: A case study of hydrophobic mismatch for the multi-segment protein LeuT

(2013) Sayan Mondal et al.   CHEMISTRY AND PHYSICS OF LIPIDS

Simulations of Anionic Lipid Membranes: Development of Interaction-Specific Ion Parameters and Validation Using NMR Data

(2013) Richard M. Venable et al.   JOURNAL OF PHYSICAL CHEMISTRY B

How LeuT shapes our understanding of the mechanisms of sodium-coupled neurotransmitter transporters

(2013) Aravind Penmatsa et al.   JOURNAL OF PHYSIOLOGY-LONDON

The Membrane Protein LeuT in Micellar Systems: Aggregation Dynamics and Detergent Binding to the S2 Site

(2013) George Khelashvili et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

X-ray structure of dopamine transporter elucidates antidepressant mechanism

(2013) Aravind Penmatsa et al.   NATURE

Ligand Induced Conformational Changes of the Human Serotonin Transporter Revealed by Molecular Dynamics Simulations

(2013) Heidi Koldsø et al.   PLoS One

Transient formation of water-conducting states in membrane transporters

(2013) J. Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Chloride binding site of neurotransmitter sodium symporters

(2013) A. K. Kantcheva et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Mutational Analysis of the High-Affinity Zinc Binding Site Validates a Refined Human Dopamine Transporter Homology Model

(2013) Thomas Stockner et al.   PLoS Computational Biology

The Molecular Mechanism of Ion-Dependent Gating in Secondary Transporters

(2013) Chunfeng Zhao et al.   PLoS Computational Biology

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

(2012) Chunfeng Zhao et al.   BIOPHYSICAL JOURNAL

The solute carrier 6 family of transporters

(2012) Stefan Bröer et al.   BRITISH JOURNAL OF PHARMACOLOGY

Substrate binds in the S1 site of the F253A mutant of LeuT, a neurotransmitter sodium symporter homologue

(2012) Hui Wang et al.   EMBO REPORTS

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

The Role of Local Hydration and Hydrogen-Bonding Dynamics in Ion and Solute Release from Ion-Coupled Secondary Transporters

(2011) Chunfeng Zhao et al.   BIOCHEMISTRY

Insights into transport mechanism from LeuT engineered to transport tryptophan

(2011) Chayne L Piscitelli et al.   EMBO 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

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

(2011) Yongfang Zhao et al.   NATURE

The Substrate-Driven Transition to an Inward-Facing Conformation in the Functional Mechanism of the Dopamine Transporter

(2011) Jufang Shan et al.   PLoS One

Reconstructing a Chloride-binding Site in a Bacterial Neurotransmitter Transporter Homologue

(2010) Sotiria Tavoulari et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

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

Molecular Simulations of Dodecyl-β-maltoside Micelles in Water: Influence of the Headgroup Conformation and Force Field Parameters

(2010) Stéphane Abel 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

Substrate-dependent proton antiport in neurotransmitter:sodium symporters

(2010) Yongfang Zhao et al.   Nature Chemical Biology

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

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

Modeling and Dynamics of the Inward-Facing State of a Na+/Cl− Dependent Neurotransmitter Transporter Homologue

(2010) Saher Afshan Shaikh et al.   PLoS Computational Biology

Ion-Releasing State of a Secondary Membrane Transporter

(2009) Jing Li et al.   BIOPHYSICAL JOURNAL

CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes

(2009) Sunhwan Jo et al.   BIOPHYSICAL JOURNAL

ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

(2009) M. J. Harvey et al.   Journal of Chemical Theory and Computation

A Closer Look at Amphetamine-Induced Reverse Transport and Trafficking of the Dopamine and Norepinephrine Transporters

(2009) S. D. Robertson et al.   MOLECULAR NEUROBIOLOGY

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

Sodium-Coupled Neurotransmitter Transporters

(2008) Baruch I. Kanner et al.   CHEMICAL REVIEWS

Anton, a special-purpose machine for molecular dynamics simulation

(2008) David E. Shaw et al.   COMMUNICATIONS OF THE ACM

An Intracellular Interaction Network Regulates Conformational Transitions in the Dopamine Transporter

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

The Mechanism of a Neurotransmitter:Sodium Symporter—Inward Release of Na+ and Substrate Is Triggered by Substrate in a Second Binding Site

(2008) Lei Shi et al.   MOLECULAR CELL

A Juxtamembrane Mutation in the N Terminus of the Dopamine Transporter Induces Preference for an Inward-Facing Conformation

(2008) B. Guptaroy et al.   MOLECULAR PHARMACOLOGY

The binding sites for cocaine and dopamine in the dopamine transporter overlap

(2008) Thijs Beuming et al.   NATURE NEUROSCIENCE

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

(2008) S. K. Singh et al.   SCIENCE

Substrate Binding and Formation of an Occluded State in the Leucine Transporter

(2007) Leyla Celik et al.   BIOPHYSICAL JOURNAL