4.6 Article

Substrate binding accelerates the conformational transitions and substrate dissociation in multidrug efflux transporter AcrB

Related references

Note: Only part of the references are listed.
Article Multidisciplinary Sciences

Structure of the AcrAB-TolC multidrug efflux pump

Dijun Du et al.

NATURE (2014)

Article Biochemistry & Molecular Biology

Some Ligands Enhance the Efflux of Other Ligands by the Escherichia coli Multidrug Pump AcrB

Alfred D. Kinana et al.

BIOCHEMISTRY (2013)

Article Biochemistry & Molecular Biology

Porter domain opening and closing motions in the multi-drug efflux transporter AcrB

Nadine Fischer et al.

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES (2013)

Article Chemistry, Multidisciplinary

Drug Uptake Pathways of Multidrug Transporter AcrB Studied by Molecular Simulations and Site-Directed Mutagenesis Experiments

Xin-Qiu Yao et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)

Article Multidisciplinary Sciences

Structures of intermediate transport states of ZneA, a Zn(II)/proton antiporter

John Edward Pak et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)

Review Biochemistry & Molecular Biology

MOLECULAR DYNAMICS COMPUTER SIMULATIONS OF MULTIDRUG RND EFFLUX PUMPS

Paolo Ruggerone et al.

COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (2013)

Article Chemistry, Medicinal

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

K. Vanommeslaeghe et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)

Article Chemistry, Medicinal

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

K. Vanommeslaeghe et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)

Article Chemistry, Multidisciplinary

Recognition of Imipenem and Meropenem by the RND-Transporter MexB Studied by Computer Simulations

Francesca Collu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

Article Biochemistry & Molecular Biology

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

Zhiwei Feng et al.

MOLECULAR BIOSYSTEMS (2012)

Article Multidisciplinary Sciences

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

Attilio V. Vargiu et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)

Article Multidisciplinary Sciences

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

Thomas Eicher et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)

Article Chemistry, Physical

Role of Water during the Extrusion of Substrates by the Efflux Transporter AcrB

Robert Schulz et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2011)

Article Chemistry, Multidisciplinary

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

Attilio V. Vargiu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

Article Multidisciplinary Sciences

Crystal structure of the CusBA heavy-metal efflux complex of Escherichia coli

Chih-Chia Su et al.

NATURE (2011)

Article Multidisciplinary Sciences

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

Ryosuke Nakashima et al.

NATURE (2011)

Article Biochemistry & Molecular Biology

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

Nadine Fischer et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2011)

Article Microbiology

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

Siew Ping Lim et al.

ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2010)

Article Biochemistry & Molecular Biology

The Conformational Transition Pathway of ATP Binding Cassette Transporter MsbA Revealed by Atomistic Simulations

Jing-Wei Weng et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2010)

Article Chemistry, Multidisciplinary

CHARMM General Force Field: A Force Field for Drug-Like Molecules Compatible with the CHARMM All-Atom Additive Biological Force Fields

K. Vanommeslaeghe et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)

Article Biochemistry & Molecular Biology

Substrate path in the AcrB multidrug efflux pump of Escherichia coli

Fasahath Husain et al.

MOLECULAR MICROBIOLOGY (2010)

Article Biochemical Research Methods

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

Robert Schulz et al.

PLOS COMPUTATIONAL BIOLOGY (2010)

Review Biochemistry & Molecular Biology

Drug transport mechanism of the AcrB efflux pump

Klaas M. Pos

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2009)

Article Chemistry, Multidisciplinary

AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility

Garrett M. Morris et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)

Article Multidisciplinary Sciences

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

Keiji Nagano et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)

Article Biochemistry & Molecular Biology

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

Markus A. Seeger et al.

NATURE STRUCTURAL & MOLECULAR BIOLOGY (2008)

Review Multidisciplinary Sciences

Multiple molecular mechanisms for multidrug resistance transporters

Christopher F. Higgins

NATURE (2007)

Article Biochemistry & Molecular Biology

Drug export pathway of multidrug exporter AcrB revealed by DARPin inhibitors

Gaby Sennhauser et al.

PLOS BIOLOGY (2007)

Review Biochemical Research Methods

Setting up and running molecular dynamics simulations of membrane proteins

Christian Kandt et al.

METHODS (2007)

Article Multidisciplinary Sciences

Crystal structures of a multidrug transporter reveal a functionally rotating mechanism

Satoshi Murakami et al.

NATURE (2006)

Article Multidisciplinary Sciences

Structural asymmetry of AcrB trimer suggests a peristaltic pump mechanism

Markus A. Seeger et al.

SCIENCE (2006)

Article Biochemical Research Methods

Targeted molecular dynamics study of C-loop closure and channel gating in nicotinic receptors

Xiaolin Cheng et al.

PLOS COMPUTATIONAL BIOLOGY (2006)

Article Biochemistry & Molecular Biology

Conformational flexibility in the multidrug efflux system protein AcrA

J Mikolosko et al.

STRUCTURE (2006)

Review Chemistry, Multidisciplinary

Scalable molecular dynamics with NAMD

JC Phillips et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)

Article Chemistry, Physical

Targeted molecular dynamics of an open-state KcsA channel

M Compoint et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Biochemistry & Molecular Biology

AcrA, AcrB, and TolC of Escherichia coli form a stable intermembrane multidrug efflux complex

EB Tikhonova et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2004)

Article Biophysics

The unfolding action of GroEL on a protein substrate

A van der Vaart et al.

BIOPHYSICAL JOURNAL (2004)

Article Multidisciplinary Sciences

Crystal structure of bacterial multidrug efflux transporter AcrB

S Murakami et al.

NATURE (2002)

Article Multidisciplinary Sciences

Conformational pathways in the gating of Escherichia coli mechanosensitive channel

YF Kong et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)