Use of allostery to identify inhibitors of calmodulin-induced activation of Bacillus anthracis edema factor. (Q33953010)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20534570%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

title

Use of allostery to identify inhibitors of calmodulin-induced activation of Bacillus anthracis edema factor (English)

1 reference

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5 February 2020

1 reference

6

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5 February 2020

Thérèse Malliavin

7

1 reference

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5 February 2020

Daniel Ladant

8

1 reference

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5 February 2020

author name string

Elodie Laine

1

1 reference

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5 February 2020

Christophe Goncalves

2

1 reference

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5 February 2020

Johanna C Karst

3

1 reference

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5 February 2020

Aurélien Lesnard

4

1 reference

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5 February 2020

Sylvain Rault

5

1 reference

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5 February 2020

Arnaud Blondel

9

1 reference

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5 February 2020

language of work or name

English

0 references

publication date

7 June 2010

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20534570%20AND%20SRC:MED&resulttype=core&format=json

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

5 February 2020

published in

1 reference

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5 February 2020

volume

107

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5 February 2020

issue

25

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5 February 2020

page(s)

11277-11282

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Trapping moving targets with small molecules

5 February 2020

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5 July 2018

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5 July 2018

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5 July 2018

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Novel inhibitors of anthrax edema factor

5 July 2018

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Protein-protein docking and analysis reveal that two homologous bacterial adenylyl cyclase toxins interact with calmodulin differently

5 July 2018

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Allostery: absence of a change in shape does not imply that allostery is not at play

5 July 2018

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Flexible ligand docking to multiple receptor conformations: a practical alternative

5 July 2018

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Allosteric effects in the marginally stable von Hippel-Lindau tumor suppressor protein and allostery-based rescue mutant design

5 July 2018

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The conformational plasticity of calmodulin upon calcium complexation gives a model of its interaction with the oedema factor of Bacillus anthracis.

5 July 2018

1 reference

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Comparative performance of several flexible docking programs and scoring functions: enrichment studies for a diverse set of pharmaceutically relevant targets

5 July 2018

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Lead optimization via high-throughput molecular docking

5 July 2018

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Conformational proofreading: the impact of conformational changes on the specificity of molecular recognition

5 July 2018

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A Ras-induced conformational switch in the Ras activator Son of sevenless

5 July 2018

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LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation

5 July 2018

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Ensemble-based convergence analysis of biomolecular trajectories

5 July 2018

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Crystal structure, catalytic mechanism, and mitogenic properties of Trypanosoma cruzi proline racemase

5 July 2018

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High-throughput assays for promiscuous inhibitors.

5 July 2018

1 reference

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Target flexibility in molecular recognition

5 July 2018

1 reference

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Structural basis for the interaction of Bordetella pertussis adenylyl cyclase toxin with calmodulin

5 July 2018

1 reference

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Calcium-independent calmodulin binding and two-metal-ion catalytic mechanism of anthrax edema factor.

5 July 2018

1 reference

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Comprehensive identification of "druggable" protein ligand binding sites.

5 July 2018

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Docking and scoring in virtual screening for drug discovery: methods and applications

5 July 2018

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Is allostery an intrinsic property of all dynamic proteins?

5 July 2018

1 reference

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Comparative evaluation of eight docking tools for docking and virtual screening accuracy

5 July 2018

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Discovery of a small molecule that inhibits the interaction of anthrax edema factor with its cellular activator, calmodulin

5 July 2018

1 reference

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Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

5 July 2018

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Selective inhibition of anthrax edema factor by adefovir, a drug for chronic hepatitis B virus infection

5 July 2018

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Improved protein-ligand docking using GOLD

5 July 2018

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Physiological calcium concentrations regulate calmodulin binding and catalysis of adenylyl cyclase exotoxins

5 July 2018

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Escaping free-energy minima

5 July 2018

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5 July 2018

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Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin

5 July 2018

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5 July 2018

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5 July 2018

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Characterization of the calmodulin-binding and of the catalytic domains of Bordetella pertussis adenylate cyclase

5 July 2018

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Langevin dynamics of peptides: the frictional dependence of isomerization rates of N-acetylalanyl-N'-methylamide

5 July 2018

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5 July 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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Calcium dependence of the interaction between calmodulin and anthrax edema factor

21 January 2018

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

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Effective atom volumes for implicit solvent models: comparison between Voronoi volumes and minimum fluctuation volumes

21 January 2018

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21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20534570

12 December 2020

inferred from PubMed ID database lookup

The flexibility of the nucleic acids: (II). The calculation of internal energy and applications to mononucleotide repeat DNA

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20534570

12 December 2020

inferred from PubMed ID database lookup

French/European academic compound library initiative

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20534570

12 December 2020

inferred from PubMed ID database lookup

Identifiers

DOI

10.1073/PNAS.0914611107

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/yz6yvjtg5bbjnn47lyhawsv4ru

30 July 2022

release_yz6yvjtg5bbjnn47lyhawsv4ru

ADS bibcode

2010PNAS..10711277L

0 references

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/yz6yvjtg5bbjnn47lyhawsv4ru

30 July 2022

https://api.fatcat.wiki/v0/release/yz6yvjtg5bbjnn47lyhawsv4ru

1 reference

30 July 2022

https://api.fatcat.wiki/v0/release/yz6yvjtg5bbjnn47lyhawsv4ru

PubMed publication ID

1 reference

30 July 2022