Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface

Discovery of New Classes of Compounds that Reactivate Acetylcholinesterase Inhibited by Organophosphates

(2015) Francine S. Katz et al.   CHEMBIOCHEM

A comprehensive evaluation of the efficacy of leading oxime therapies in guinea pigs exposed to organophosphorus chemical warfare agents or pesticides

(2014) Christina M. Wilhelm et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Catalytic-site conformational equilibrium in nerve-agent adducts of acetylcholinesterase: Possible implications for the HI-6 antidote substrate specificity

(2013) Elisabet Artursson et al.   BIOCHEMICAL PHARMACOLOGY

Structures of Human Acetylcholinesterase Bound to Dihydrotanshinone I and Territrem B Show Peripheral Site Flexibility

(2013) Jonah Cheung et al.   ACS Medicinal Chemistry Letters

A step toward the reactivation of aged cholinesterases – Crystal structure of ligands binding to aged human butyrylcholinesterase

(2012) Marielle Wandhammer et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Structures of Human Acetylcholinesterase in Complex with Pharmacologically Important Ligands

(2012) Jonah Cheung et al.   JOURNAL OF MEDICINAL CHEMISTRY

Linking Crystallographic Model and Data Quality

(2012) P. A. Karplus et al.   SCIENCE

Overview of theCCP4 suite and current developments

(2011) Martyn D. Winn et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Structural Evidence That Human Acetylcholinesterase Inhibited by Tabun Ages through O-Dealkylation

(2010) Eugénie Carletti et al.   JOURNAL OF MEDICINAL CHEMISTRY

Conformational substates in different crystal forms of the photoactive yellow protein-Correlation with theoretical and experimental flexibility

(2010) Daan M.F. Van Aalten et al.   PROTEIN SCIENCE

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Crystal structures of oxime-bound fenamiphos-acetylcholinesterases: Reactivation involving flipping of the His447 ring to form a reactive Glu334–His447–oxime triad

(2009) Andreas Hörnberg et al.   BIOCHEMICAL PHARMACOLOGY

Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime†

(2009) Benoît Sanson et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure of HI-6•Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design

(2009) Fredrik Ekström et al.   PLoS One

Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation

(2008) Eugénie Carletti et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

RAPIDO: a web server for the alignment of protein structures in the presence of conformational changes

(2008) R. Mosca et al.   NUCLEIC ACIDS RESEARCH