How structural elements evolving from bacterial to human SLC6 transporters enabled new functional properties

Thermodynamic Coupling Function Analysis of Allosteric Mechanisms in the Human Dopamine Transporter

(2018) Michael V. LeVine et al.   BIOPHYSICAL JOURNAL

The N Terminus Specifies the Switch between Transport Modes of the Human Serotonin Transporter

(2017) Carina Kern et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Atypical dopamine efflux caused by 3,4-methylenedioxypyrovalerone (MDPV) via the human dopamine transporter

(2017) Aparna Shekar et al.   JOURNAL OF CHEMICAL NEUROANATOMY

Complete protein–protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling

(2017) Nuria Plattner et al.   Nature Chemistry

Membrane cholesterol access into a G-protein-coupled receptor

(2017) Ramon Guixà-González et al.   Nature Communications

Direct PIP2 binding mediates stable oligomer formation of the serotonin transporter

(2017) Andreas Anderluh et al.   Nature Communications

A Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter

(2017) Asghar M. Razavi et al.   Scientific Reports

Dynamic and Kinetic Elements of µ-Opioid Receptor Functional Selectivity

(2017) Abhijeet Kapoor et al.   Scientific Reports

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

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

Dopamine Transporter Amino and Carboxyl Termini Synergistically Contribute to Substrate and Inhibitor Affinities

(2016) Carolyn G. Sweeney et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Stochastic steps in secondary active sugar transport

(2016) Joshua L. Adelman et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Functional mechanisms of neurotransmitter transporters regulated by lipid–protein interactions of their terminal loops

(2015) George Khelashvili et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

(2015) Robert T. McGibbon et al.   BIOPHYSICAL JOURNAL

Computational characterization of structural dynamics underlying function in active membrane transporters

(2015) Jing Li et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

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

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

Reciprocal Phosphorylation and Palmitoylation Control Dopamine Transporter Kinetics

(2015) Amy E. Moritz et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Monoamine neurotransmitter disorders—clinical advances and future perspectives

(2015) Joanne Ng et al.   Nature Reviews Neurology

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

Molecular Mechanism of Dopamine Transport by Human Dopamine Transporter

(2015) Mary Hongying Cheng et al.   STRUCTURE

Rare Autism-Associated Variants Implicate Syntaxin 1 (STX1 R26Q) Phosphorylation and the Dopamine Transporter (hDAT R51W) in Dopamine Neurotransmission and Behaviors

(2015) Etienne Cartier et al.   EBioMedicine

Structure and Regulatory Interactions of the Cytoplasmic Terminal Domains of Serotonin Transporter

(2014) Cristina Fenollar-Ferrer et al.   BIOCHEMISTRY

Complex Pathways in Folding of Protein G Explored by Simulation and Experiment

(2014) Lisa J. Lapidus et al.   BIOPHYSICAL JOURNAL

Dopamine transporter deficiency syndrome: phenotypic spectrum from infancy to adulthood

(2014) Joanne Ng et al.   BRAIN

Markov state models of biomolecular conformational dynamics

(2014) John D Chodera et al.   CURRENT OPINION IN STRUCTURAL 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

Missense dopamine transporter mutations associate with adult parkinsonism and ADHD

(2014) Freja H. Hansen et al.   JOURNAL OF CLINICAL INVESTIGATION

PIP2 regulates psychostimulant behaviors through its interaction with a membrane protein

(2014) Peter J Hamilton et al.   Nature Chemical Biology

A mechanism for intracellular release of Na+ by neurotransmitter/sodium symporters

(2014) Lina Malinauskaite et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

The rare DAT coding variant Val559 perturbs DA neuron function, changes behavior, and alters in vivo responses to psychostimulants

(2014) M. A. Mergy et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

SLC6A3 coding variant Ala559Val found in two autism probands alters dopamine transporter function and trafficking

(2014) E Bowton et al.   Translational Psychiatry

Membrane lipids are key modulators of the endocannabinoid-hydrolase FAAH

(2013) Enrico Dainese et al.   BIOCHEMICAL JOURNAL

Identification of slow molecular order parameters for Markov model construction

(2013) Guillermo Pérez-Hernández et al.   JOURNAL OF CHEMICAL PHYSICS

Improvements in Markov State Model Construction Reveal Many Non-Native Interactions in the Folding of NTL9

(2013) Christian R. Schwantes et al.   Journal of Chemical Theory and Computation

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

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

De novo mutation in the dopamine transporter gene associates dopamine dysfunction with autism spectrum disorder

(2013) P J Hamilton et al.   MOLECULAR PSYCHIATRY

X-ray structure of dopamine transporter elucidates antidepressant mechanism

(2013) Aravind Penmatsa et al.   NATURE

Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways

(2013) Kai J. Kohlhoff et al.   Nature Chemistry

Amphetamine actions at the serotonin transporter rely on the availability of phosphatidylinositol-4,5-bisphosphate

(2013) F. Buchmayer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Mechanisms of dopamine transporter regulation in normal and disease states

(2013) Roxanne A. Vaughan et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

The solute carrier 6 family of transporters

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

Phosphorylation of Dopamine Transporter Serine 7 Modulates Cocaine Analog Binding

(2012) Amy E. Moritz et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Dopamine Transporter Phosphorylation Site Threonine 53 Regulates Substrate Reuptake and Amphetamine-stimulated Efflux

(2012) James D. Foster et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Attention Deficit/Hyperactivity Disorder-Derived Coding Variation in the Dopamine Transporter Disrupts Microdomain Targeting and Trafficking Regulation

(2012) D. Sakrikar et al.   JOURNAL OF NEUROSCIENCE

Slow Unfolded-State Structuring in Acyl-CoA Binding Protein Folding Revealed by Simulation and Experiment

(2012) Vincent A. Voelz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Evaluating the Effects of Cutoffs and Treatment of Long-range Electrostatics in Protein Folding Simulations

(2012) Stefano Piana et al.   PLoS One

Simple few-state models reveal hidden complexity in protein folding

(2012) K. A. Beauchamp et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Slow dynamics in protein fluctuations revealed by time-structure based independent component analysis: The case of domain motions

(2011) Yusuke Naritomi et al.   JOURNAL OF CHEMICAL PHYSICS

Markov models of molecular kinetics: Generation and validation

(2011) Jan-Hendrik Prinz et al.   JOURNAL OF CHEMICAL PHYSICS

MSMBuilder2: Modeling Conformational Dynamics on the Picosecond to Millisecond Scale

(2011) Kyle A. Beauchamp et al.   Journal of Chemical Theory and Computation

Flotillin-1 is essential for PKC-triggered endocytosis and membrane microdomain localization of DAT

(2011) M Laura Cremona et al.   NATURE NEUROSCIENCE

How Addictive Drugs Disrupt Presynaptic Dopamine Neurotransmission

(2011) David Sulzer   NEURON

The N Terminus of Monoamine Transporters Is a Lever Required for the Action of Amphetamines

(2010) Sonja Sucic et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Dysregulation of Dopamine Transporters via Dopamine D2 Autoreceptors Triggers Anomalous Dopamine Efflux Associated with Attention-Deficit Hyperactivity Disorder

(2010) E. Bowton et al.   JOURNAL OF NEUROSCIENCE

Molecular Simulation ofab InitioProtein Folding for a Millisecond Folder NTL9(1−39)

(2010) Vincent A. Voelz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Everything you wanted to know about Markov State Models but were afraid to ask

(2010) Vijay S. Pande et al.   METHODS

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

Reactive flux and folding pathways in network models of coarse-grained protein dynamics

(2009) Alexander Berezhkovskii et al.   JOURNAL OF CHEMICAL PHYSICS

ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

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

Anomalous Dopamine Release Associated with a Human Dopamine Transporter Coding Variant

(2008) M. S. Mazei-Robison et al.   JOURNAL OF NEUROSCIENCE

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

Syntaxin 1A Interaction with the Dopamine Transporter Promotes Amphetamine-Induced Dopamine Efflux

(2008) F. Binda et al.   MOLECULAR PHARMACOLOGY