Molecular Motions as a Drug Target: Mechanistic Simulations of Anthrax Toxin Edema Factor Function Led to the Discovery of Novel Allosteric Inhibitors

Protein dynamics and conformational selection in bidirectional signal transduction

(2012) Ruth Nussinov et al.   BMC BIOLOGY

Noninvasive Imaging Technologies Reveal Edema Toxin as a Key Virulence Factor in Anthrax

(2011) Fabien Dumetz et al.   AMERICAN JOURNAL OF PATHOLOGY

Impact of divalent metal ions on regulation of adenylyl cyclase isoforms by forskolin analogs

(2011) Miriam Erdorf et al.   BIOCHEMICAL PHARMACOLOGY

Nucleotidyl Cyclase Activity of Soluble Guanylyl Cyclase α1β1

(2011) Kerstin Y. Beste et al.   BIOCHEMISTRY

Structure-Based Design of a Heptavalent Anthrax Toxin Inhibitor

(2011) Amit Joshi et al.   BIOMACROMOLECULES

Structure-based redesign of an edema toxin inhibitor

(2011) Deliang Chen et al.   BIOORGANIC & MEDICINAL CHEMISTRY

New Developments in Vaccines, Inhibitors of Anthrax Toxins, and Antibiotic Therapeutics for Bacillus anthracis

(2011) J. M. Beierlein et al.   CURRENT MEDICINAL CHEMISTRY

New insights into the biological effects of anthrax toxins: linking cellular to organismal responses

(2011) Annabel Guichard et al.   MICROBES AND INFECTION

Inhibition of the adenylyl cyclase toxin, edema factor, from Bacillus anthracis by a series of 18 mono- and bis-(M)ANT-substituted nucleoside 5′-triphosphates

(2011) Hesham Taha et al.   NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY

Drug discovery and the human kinome: Recent trends

(2011) Richard Eglen et al.   PHARMACOLOGY & THERAPEUTICS

Pre-existing soft modes of motion uniquely defined by native contact topology facilitate ligand binding to proteins

(2011) Lidio Meireles et al.   PROTEIN SCIENCE

Mechanism of reactant and product dissociation from the anthrax edema factor: A locally enhanced sampling and steered molecular dynamics study

(2011) Leandro Martínez et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Efficacy of a capsule conjugate vaccine against inhalational anthrax in rabbits and monkeys

(2011) Donald J. Chabot et al.   VACCINE

The Potential Contributions of Lethal and Edema Toxins to the Pathogenesis of Anthrax Associated Shock

(2011) Caitlin W. Hicks et al.   Toxins

Global Dynamics of Proteins: Bridging Between Structure and Function

(2010) Ivet Bahar et al.   Annual Review of Biophysics

Cytidylyl and Uridylyl Cyclase Activity ofBacillus anthracisEdema Factor andBordetella pertussisCyaA

(2010) Martin Göttle et al.   BIOCHEMISTRY

Activation of the Edema Factor of Bacillus anthracis by Calmodulin: Evidence of an Interplay between the EF-Calmodulin Interaction and Calcium Binding

(2010) Elodie Laine et al.   BIOPHYSICAL JOURNAL

Tinkering outside the kinase ATP box: allosteric (type IV) and bivalent (type V) inhibitors of protein kinases

(2010) Kurt J Cox et al.   Future Medicinal Chemistry

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

(2010) E. Laine et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Development of a highly efficacious vaccinia-based dual vaccine against smallpox and anthrax, two important bioterror entities

(2010) T. J. Merkel et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Dynamics and Energetics: A Consensus Analysis of the Impact of Calcium on EF-CaM Protein Complex

(2009) Elodie Laine et al.   BIOPHYSICAL JOURNAL

Anthrax toxins: A weapon to systematically dismantle the host immune defenses

(2009) Jean-Nicolas Tournier et al.   MOLECULAR ASPECTS OF MEDICINE

The role of dynamic conformational ensembles in biomolecular recognition

(2009) David D Boehr et al.   Nature Chemical Biology

ATP conformations and ion binding modes in the active site of anthrax edema factor: A computational analysis

(2009) Leandro Martínez et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Novel inhibitors of anthrax edema factor

(2008) Deliang Chen et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Efficacy of a Vaccine Based on Protective Antigen and Killed Spores against Experimental Inhalational Anthrax

(2008) Y. P. Gauthier et al.   INFECTION AND IMMUNITY

Molecular Analysis of the Interaction of Anthrax Adenylyl Cyclase Toxin, Edema Factor, with 2'(3')-O-(N-(methyl)anthraniloyl)-Substituted Purine and Pyrimidine Nucleotides

(2008) H. M. Taha et al.   MOLECULAR PHARMACOLOGY

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

(2008) Elodie Laine et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS