Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters
Published 2017 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters
Authors
Keywords
-
Journal
Scientific Reports
Volume 7, Issue 1, Pages -
Publisher
Springer Nature
Online
2017-08-08
DOI
10.1038/s41598-017-08747-8
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Computational modelling of efflux pumps and their inhibitors
- (2017) Venkata Krishnan Ramaswamy et al. Essays in Biochemistry
- Evidence of a Substrate-Discriminating Entrance Channel in the Lower Porter Domain of the Multidrug Resistance Efflux Pump AcrB
- (2016) Sabine Schuster et al. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
- Insights into the Inhibitory Mechanism of D13-9001 to the Multidrug Transporter AcrB through Molecular Dynamics Simulations
- (2016) Zhicheng Zuo et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives
- (2016) Hanno Sjuts et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- A Fluorescent Microplate Assay Quantifies Bacterial Efflux and Demonstrates Two Distinct Compound Binding Sites in AcrB
- (2015) Ramkumar Iyer et al. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
- The Challenge of Efflux-Mediated Antibiotic Resistance in Gram-Negative Bacteria
- (2015) Xian-Zhi Li et al. CLINICAL MICROBIOLOGY REVIEWS
- Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning
- (2015) Chad W. Hopkins et al. Journal of Chemical Theory and Computation
- ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
- (2015) James A. Maier et al. Journal of Chemical Theory and Computation
- Molecular architecture of the bacterial tripartite multidrug efflux pump focusing on the adaptor bridging model
- (2015) Saemee Song et al. JOURNAL OF MICROBIOLOGY
- The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins
- (2015) Dima Kozakov et al. Nature Protocols
- AcrB drug-binding pocket substitution confers clinically relevant resistance and altered substrate specificity
- (2015) Jessica M. A. Blair et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Stepwise substrate translocation mechanism revealed by free energy calculations of doxorubicin in the multidrug transporter AcrB
- (2015) Zhicheng Zuo et al. Scientific Reports
- Architecture and roles of periplasmic adaptor proteins in tripartite efflux assemblies
- (2015) Martyn F. Symmons et al. Frontiers in Microbiology
- Mechanism of coupling drug transport reactions located in two different membranes
- (2015) Helen I. Zgurskaya et al. Frontiers in Microbiology
- Structural basis of RND-type multidrug exporters
- (2015) Akihito Yamaguchi et al. Frontiers in Microbiology
- Switch-Loop Flexibility Affects Transport of Large Drugs by the Promiscuous AcrB Multidrug Efflux Transporter
- (2014) Hi-jea Cha et al. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
- Molecular Mechanism of MBX2319 Inhibition of Escherichia coli AcrB Multidrug Efflux Pump and Comparison with Other Inhibitors
- (2014) Attilio V. Vargiu et al. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
- β-Lactam Selectivity of Multidrug Transporters AcrB and AcrD Resides in the Proximal Binding Pocket
- (2014) Naoki Kobayashi et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Lipid14: The Amber Lipid Force Field
- (2014) Callum J. Dickson et al. Journal of Chemical Theory and Computation
- MLP Tools: a PyMOL plugin for using the molecular lipophilicity potential in computer-aided drug design
- (2014) Nils Oberhauser et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Structure of the AcrAB–TolC multidrug efflux pump
- (2014) Dijun Du et al. NATURE
- Molecular mechanisms of antibiotic resistance
- (2014) Jessica M. A. Blair et al. NATURE REVIEWS MICROBIOLOGY
- UniProt: a hub for protein information
- (2014) NUCLEIC ACIDS RESEARCH
- rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids
- (2014) Sergio Ruiz-Carmona et al. PLoS Computational Biology
- Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
- (2014) Thomas Eicher et al. eLife
- RND Efflux Pumps: Structural Information Translated into Function and Inhibition Mechanisms
- (2013) Paolo Ruggerone et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Structural basis for the inhibition of bacterial multidrug exporters
- (2013) Ryosuke Nakashima et al. NATURE
- MOLECULAR DYNAMICS COMPUTER SIMULATIONS OF MULTIDRUG RND EFFLUX PUMPS
- (2013) Paolo Ruggerone et al. Computational and Structural Biotechnology Journal
- Porter domain opening and closing motions in the multi-drug efflux transporter AcrB
- (2012) Nadine Fischer et al. BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
- Recognition of Imipenem and Meropenem by the RND-Transporter MexB Studied by Computer Simulations
- (2012) Francesca Collu et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Multidrug binding properties of the AcrB efflux pump characterized by molecular dynamics simulations
- (2012) A. V. Vargiu et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- 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
- Essential dynamics: foundation and applications
- (2012) Isabella Daidone et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Vestibules Are Part of the Substrate Path in the Multidrug Efflux Transporter AcrB of Escherichia coli
- (2011) F. Husain et al. JOURNAL OF BACTERIOLOGY
- Functionality Mapping on Internal Surfaces of Multidrug Transporter AcrB Based on Molecular Theory of Solvation: Implications for Drug Efflux Pathway
- (2011) Takashi Imai et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Role of Water during the Extrusion of Substrates by the Efflux Transporter AcrB
- (2011) Robert Schulz et al. JOURNAL OF PHYSICAL CHEMISTRY B
- 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
- Fast, scalable generation of high-quality protein multiple sequence alignments using Clustal Omega
- (2011) F. Sievers et al. Molecular Systems Biology
- Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
- (2011) Ryosuke Nakashima et al. NATURE
- OPM database and PPM web server: resources for positioning of proteins in membranes
- (2011) Mikhail A. Lomize et al. NUCLEIC ACIDS RESEARCH
- 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
- Functional Rotation of the Transporter AcrB: Insights into Drug Extrusion from Simulations
- (2010) Robert Schulz et al. PLoS Computational Biology
- MolProbity: all-atom structure validation for macromolecular crystallography
- (2009) Vincent B. Chen et al. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
- Assembly and transport mechanism of tripartite drug efflux systems
- (2009) Rajeev Misra et al. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
- Regulation and physiological function of multidrug efflux pumps in Escherichia coli and Salmonella
- (2009) Kunihiko Nishino et al. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
- Drug transport mechanism of the AcrB efflux pump
- (2009) Klaas M. Pos BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
- The assembled structure of a complete tripartite bacterial multidrug efflux pump
- (2009) M. F. Symmons et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Multidrug efflux transporter, AcrB—the pumping mechanism
- (2008) S MURAKAMI 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
- CHARMM-GUI: A web-based graphical user interface for CHARMM
- (2008) Sunhwan Jo et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now