An embedded lipid in the multidrug transporter LmrP suggests a mechanism for polyspecificity

Structural insight into substrate and inhibitor discrimination by human P-glycoprotein

(2019) Amer Alam et al.   SCIENCE

Multidrug efflux pumps: structure, function and regulation

(2018) Dijun Du et al.   NATURE REVIEWS MICROBIOLOGY

molecular mechanisms of AcrB-mediated multidrug export

(2018) martijn zwama et al.   RESEARCH IN MICROBIOLOGY

LmrP from Lactoccoccus lactis: a tractable model to understand secondary multidrug transport in MFS

(2018) Aurélie Roth et al.   RESEARCH IN MICROBIOLOGY

Outward open conformation of a Major Facilitator Superfamily multidrug/H+ antiporter provides insights into switching mechanism

(2018) Kumar Nagarathinam et al.   Nature Communications

Lipids modulate the conformational dynamics of a secondary multidrug transporter

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

Lipids modulate the conformational dynamics of a secondary multidrug transporter

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

Probing the Lipid Annular Belt by Gas-Phase Dissociation of Membrane Proteins in Nanodiscs

(2015) Michael T. Marty et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Role of the Detergent Micelle in Preserving the Structure of Membrane Proteins in the Gas Phase

(2015) Eamonn Reading et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Substrate-bound structure of the E. coli multidrug resistance transporter MdfA

(2015) Jie Heng et al.   CELL RESEARCH

Structural basis of RND-type multidrug exporters

(2015) Akihito Yamaguchi et al.   Frontiers in Microbiology

Sodium recognition by the Na+/Ca2+exchanger in the outward-facing conformation

(2014) Fabrizio Marinelli et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Protonation drives the conformational switch in the multidrug transporter LmrP

(2013) Matthieu Masureel et al.   Nature Chemical Biology

DEER Distance Measurements on Proteins

(2012) Gunnar Jeschke   Annual Review of Physical Chemistry

The Multidrug Transporter LmrP Protein Mediates Selective Calcium Efflux

(2012) Theresia A. Schaedler et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges

(2012) K. Vanommeslaeghe et al.   Journal of Chemical Information and Modeling

Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing

(2012) K. Vanommeslaeghe et al.   Journal of Chemical Information and Modeling

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

Basic Residues R260 and K357 Affect the Conformational Dynamics of the Major Facilitator Superfamily Multidrug Transporter LmrP

(2012) Wei Wang et al.   PLoS One

Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop

(2012) T. Eicher et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Overview of theCCP4 suite and current developments

(2011) Martyn D. Winn et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

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

Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket

(2011) Ryosuke Nakashima et al.   NATURE

Experimental phasing withSHELXC/D/E: combining chain tracing with density modification

(2010) George M. Sheldrick   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

XDS

(2010) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

A flexible cation binding site in the multidrug major facilitator superfamily transporter LmrP is associated with variable proton coupling

(2010) Theresia A. Schaedler et al.   FASEB JOURNAL

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 replacement withMOLREP

(2009) Alexei Vagin et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

CHARMM: The biomolecular simulation program

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

Selenomethionine incorporation in proteins expressed inLactococcus lactis

(2009) Ronnie P.-A. Berntsson et al.   PROTEIN SCIENCE

Structure of P-Glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

(2009) S. G. Aller et al.   SCIENCE

On the energy-dependence of Hoechst 33342 transport by the ABC transporter LmrA

(2007) Henrietta Venter et al.   BIOCHEMICAL PHARMACOLOGY