The X-ray Structure of a Transition State Analog Complex Reveals the Molecular Origins of the Catalytic Power and Substrate Specificity of Acetylcholinesterase
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ENZO: a web tool for derivation and evaluation of kinetic models of enzyme catalyzed reactionsStructure of acetylcholinesterase complexed with (-)-galanthamine at 2.3 A resolutionThree-dimensional structure of a complex of galanthamine (Nivalin) with acetylcholinesterase from Torpedo californica: implications for the design of new anti-Alzheimer drugsObservation of an arsenic adduct in an acetyl esterase crystal structureCrystal structure of human butyrylcholinesterase and of its complexes with substrate and productsStructure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine AMolecular recognition of rosmarinic acid from Salvia sclareoides extracts by acetylcholinesterase: a new binding site detected by NMR spectroscopy.Rate-determining step of butyrylcholinesterase-catalyzed hydrolysis of benzoylcholine and benzoylthiocholine. Volumetric study of wild-type and D70G mutant behavior.Functional characteristics of the oxyanion hole in human acetylcholinesterase.Molecular interactions of 4-acetoxy-plakinamine B with peripheral anionic and other catalytic subsites of the aromatic gorge of acetylcholinesterase: computational and structural insights.Synthesis and in silico evaluation of 1N-methyl-1S-methyl-2-nitroethylene (NMSM) derivatives against Alzheimer disease: to understand their interacting mechanism with acetylcholinesterase.Targeted oxidation of Torpedo californica acetylcholinesterase by singlet oxygen: identification of N-formylkynurenine tryptophan derivatives within the active-site gorge of its complex with the photosensitizer methylene blueHuprines for Alzheimer's disease drug development.Acetylcholinesterase complexes with the natural product inhibitors dihydrotanshinone I and territrem B: binding site assignment from inhibitor competition and validation through crystal structure determination.Novel multitarget-directed tacrine derivatives as potential candidates for the treatment of Alzheimer's disease.Extensive Ace2 duplication and multiple mutations on Ace1 and Ace2 are related with high level of organophosphates resistance in Aphis gossypii.Molecular docking and 3D-QSAR studies of 2-substituted 1-indanone derivatives as acetylcholinesterase inhibitors.Inhibition of acetylcholinesterase by physostigmine analogs: conformational mobility of cysteine loop due to the steric effect of the alkyl chain.Nanosecond dynamics of the mouse acetylcholinesterase cys69-cys96 omega loop.Interaction kinetics of reversible inhibitors and substrates with acetylcholinesterase and its fasciculin 2 complex.Probing the active center gorge of acetylcholinesterase by fluorophores linked to substituted cysteines.Structural insights into substrate traffic and inhibition in acetylcholinesteraseThioflavin T is a fluorescent probe of the acetylcholinesterase peripheral site that reveals conformational interactions between the peripheral and acylation sites.Nantenine as an acetylcholinesterase inhibitor: SAR, enzyme kinetics and molecular modeling investigations.Stereoselective inhibition of butyrylcholinesterase by enantiomers of exo- and endo-2-norbornyl-N-n-butylcarbamates.Synthesis of imperatorin analogs and their evaluation as acetylcholinesterase and butyrylcholinesterase inhibitors.Reversibly bound and covalently attached ligands induce conformational changes in the omega loop, Cys69-Cys96, of mouse acetylcholinesterase.High activity of human butyrylcholinesterase at low pH in the presence of excess butyrylthiocholine.Inhibitors tethered near the acetylcholinesterase active site serve as molecular rulers of the peripheral and acylation sites.Structural bioinformatics and QSAR analysis applied to the acetylcholinesterase and bispyridinium aldoximes.Ortho effects in quantitative structure-activity relationships for acetylcholinesterase inhibition by aryl carbamates.Synthesis of α-oxycarbanilinophosphonates and their anticholinesterase activities: the most potent derivative is bound to the peripheral site of acetylcholinesterase.A cleft type receptor which combines an oxyanion hole with electrostatic interactions.Electrostatic influence on the kinetics of ligand binding to acetylcholinesterase. Distinctions between active center ligands and fasciculin.Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.Synthesis, Molecular Modeling, and Evaluation of Novel Sulfonylhydrazones as Acetylcholinesterase Inhibitors for Alzheimer's Disease.Why is Aged Acetylcholinesterase So Difficult to Reactivate?Elaborate ligand-based modeling coupled with QSAR analysis and in silico screening reveal new potent acetylcholinesterase inhibitors.Molecular docking and receptor-specific 3D-QSAR studies of acetylcholinesterase inhibitors.Inhibition of AChE: structure-activity relationship among conformational transition of Trp84 and biomolecular rate constant.
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The X-ray Structure of a Transition State Analog Complex Reveals the Molecular Origins of the Catalytic Power and Substrate Specificity of Acetylcholinesterase
description
im Januar 1996 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в січні 1996
@uk
name
The X-ray Structure of a Trans ...... ficity of Acetylcholinesterase
@en
The X-ray Structure of a Trans ...... ficity of Acetylcholinesterase
@nl
type
label
The X-ray Structure of a Trans ...... ficity of Acetylcholinesterase
@en
The X-ray Structure of a Trans ...... ficity of Acetylcholinesterase
@nl
prefLabel
The X-ray Structure of a Trans ...... ficity of Acetylcholinesterase
@en
The X-ray Structure of a Trans ...... ficity of Acetylcholinesterase
@nl
P2093
P356
P1476
The X-ray Structure of a Trans ...... ficity of Acetylcholinesterase
@en
P2093
Daniel M. Quinn
Haridasan K. Nair
Israel Silman
Joel L. Sussman
Michal Harel
P304
P356
10.1021/JA952232H
P407
P577
1996-01-01T00:00:00Z