(Q30530476)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json

18 February 2020

title

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

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json

molecular dynamics simulation

18 February 2020

main subject

0 references

author

Attilio V Vargiu

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json

18 February 2020

author name string

Hiroshi Nikaido

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json

18 February 2020

language of work or name

English

0 references

publication date

21 November 2012

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json

Proceedings of the National Academy of Sciences of the United States of America

18 February 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json

18 February 2020

volume

109

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json

18 February 2020

issue

50

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json

18 February 2020

page(s)

20637-20642

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json

describes a project that uses

18 February 2020

molecular dynamics simulation

1 reference

based on heuristic

litr

cites work

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

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

20 June 2018

1 reference

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Broad-specificity efflux pumps and their role in multidrug resistance of Gram-negative bacteria

20 June 2018

1 reference

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Structure and mechanism of RND-type multidrug efflux pumps

20 June 2018

1 reference

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

20 June 2018

1 reference

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Substrate path in the AcrB multidrug efflux pump of Escherichia coli.

20 June 2018

1 reference

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Optimized Nile Red efflux assay of AcrAB-TolC multidrug efflux system shows competition between substrates

20 June 2018

1 reference

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Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability. Theory and applications

20 June 2018

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Functional rotation of the transporter AcrB: insights into drug extrusion from simulations

20 June 2018

1 reference

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Quantifying uncertainty and sampling quality in biomolecular simulations

20 June 2018

1 reference

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

20 June 2018

1 reference

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Kinetic parameters of efflux of penicillins by the multidrug efflux transporter AcrAB-TolC of Escherichia coli

20 June 2018

1 reference

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Efflux-mediated drug resistance in bacteria: an update

20 June 2018

1 reference

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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

Multidrug resistance in bacteria

20 June 2018

1 reference

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Covalently linked trimer of the AcrB multidrug efflux pump provides support for the functional rotating mechanism

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

Site-directed mutagenesis reveals putative substrate binding residues in the Escherichia coli RND efflux pump AcrB.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

Flexible ligand docking to multiple receptor conformations: a practical alternative

20 June 2018

1 reference

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

Drug export pathway of multidrug exporter AcrB revealed by DARPin inhibitors

20 June 2018

1 reference

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Scalable molecular dynamics with NAMD

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

A periplasmic drug-binding site of the AcrB multidrug efflux pump: a crystallographic and site-directed mutagenesis study.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

Selected arylpiperazines are capable of reversing multidrug resistance in Escherichia coli overexpressing RND efflux pumps

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

Crystal structure of bacterial multidrug efflux transporter AcrB

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

Identification and characterization of inhibitors of multidrug resistance efflux pumps in Pseudomonas aeruginosa: novel agents for combination therapy

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

Entry into and release of solvents by Escherichia coli in an organic-aqueous two-liquid-phase system and substrate specificity of the AcrAB-TolC solvent-extruding pump

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

Role of the acrAB locus in organic solvent tolerance mediated by expression of marA, soxS, or robA in Escherichia coli

20 June 2018

1 reference

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Multidrug efflux pumps of gram-negative bacteria

20 June 2018

1 reference

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Molecular cloning and characterization of acrA and acrE genes of Escherichia coli

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

Prevalence, resistance mechanisms, and susceptibility of multidrug-resistant bloodstream isolates of Pseudomonas aeruginosa

20 June 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1218348109

Crystal structures of a multidrug transporter reveal a functionally rotating mechanism.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1218348109

Structural asymmetry of AcrB trimer suggests a peristaltic pump mechanism.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1218348109

Site-directed disulfide cross-linking shows that cleft flexibility in the periplasmic domain is needed for the multidrug efflux pump AcrB of Escherichia coli

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1218348109

Altered spectrum of multidrug resistance associated with a single point mutation in the Escherichia coli RND-type MDR efflux pump YhiV (MdtF).

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1218348109

Site-directed mutagenesis reveals amino acid residues in the Escherichia coli RND efflux pump AcrB that confer macrolide resistance

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1218348109

Effect of the F610A mutation on substrate extrusion in the AcrB transporter: explanation and rationale by molecular dynamics simulations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1218348109

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1218348109

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1218348109

Ligand-transporter interaction in the AcrB multidrug efflux pump determined by fluorescence polarization assay

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1218348109

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1218348109

The hydrophobic-hydrophilic balance of bile salts. Inverse correlation between reverse-phase high performance liquid chromatographic mobilities and micellar cholesterol-solubilizing capacities.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3528587

26 November 2018

Identifiers

DOI

10.1073/PNAS.1218348109

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json

18 February 2020

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json

18 February 2020

PubMed publication ID

23175790

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23175790%20AND%20SRC:MED&resulttype=core&format=json