Multidrug binding properties of the AcrB efflux pump characterized by molecular dynamics simulations

Unidirectional peristaltic movement in multisite drug binding pockets of AcrB from molecular dynamics simulations

(2012) Zhiwei Feng et al.   Molecular BioSystems

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

Effect of the F610A Mutation on Substrate Extrusion in the AcrB Transporter: Explanation and Rationale by Molecular Dynamics Simulations

(2011) Attilio V. Vargiu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Three ways in, one way out: Water dynamics in the trans-membrane domains of the inner membrane translocase AcrB

(2011) Nadine Fischer et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Prevalence, Resistance Mechanisms, and Susceptibility of Multidrug-Resistant Bloodstream Isolates of Pseudomonas aeruginosa

(2010) V. H. Tam et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Optimized Nile Red Efflux Assay of AcrAB-TolC Multidrug Efflux System Shows Competition between Substrates

(2010) J. A. Bohnert et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Kinetic Parameters of Efflux of Penicillins by the Multidrug Efflux Transporter AcrAB-TolC of Escherichia coli

(2010) S. P. Lim et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Substrate path in the AcrB multidrug efflux pump of Escherichia coli

(2010) Fasahath Husain et al.   MOLECULAR MICROBIOLOGY

Mechanism of recognition of compounds of diverse structures by the multidrug efflux pump AcrB of Escherichia coli

(2010) Y. Takatsuka et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Drug export and allosteric coupling in a multidrug transporter revealed by molecular simulations

(2010) Xin-Qiu Yao et al.   Nature Communications

Functional Rotation of the Transporter AcrB: Insights into Drug Extrusion from Simulations

(2010) Robert Schulz et al.   PLoS Computational Biology

Multidrug Resistance in Bacteria

(2009) Hiroshi Nikaido   Annual Review of Biochemistry

PLATINUM: a web tool for analysis of hydrophobic/hydrophilic organization of biomolecular complexes

(2009) Timothy V. Pyrkov et al.   BIOINFORMATICS

Efflux-Mediated Drug Resistance in Bacteria

(2009) Xian-Zhi Li et al.   DRUGS

Kinetic behavior of the major multidrug efflux pump AcrB of Escherichia coli

(2009) K. Nagano et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications

(2009) Pedro E. M. Lopes et al.   THEORETICAL CHEMISTRY ACCOUNTS

Site-Directed Mutagenesis Reveals Amino Acid Residues in the Escherichia coli RND Efflux Pump AcrB That Confer Macrolide Resistance

(2008) C. Wehmeier et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Flexible ligand docking to multiple receptor conformations: a practical alternative

(2008) Maxim Totrov et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Site-Directed Mutagenesis Reveals Putative Substrate Binding Residues in the Escherichia coli RND Efflux Pump AcrB

(2008) J. A. Bohnert et al.   JOURNAL OF BACTERIOLOGY

Covalently Linked Trimer of the AcrB Multidrug Efflux Pump Provides Support for the Functional Rotating Mechanism

(2008) Y. Takatsuka et al.   JOURNAL OF BACTERIOLOGY

Engineered disulfide bonds support the functional rotation mechanism of multidrug efflux pump AcrB

(2008) Markus A Seeger et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY