Structures of recombinant native and E202Q mutant human acetylcholinesterase complexed with the snake-venom toxin fasciculin-II
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The synaptic acetylcholinesterase tetramer assembles around a polyproline II helixHuman butyrylcholinesterase produced in insect cells: huprine-based affinity purification and crystal structureCrystal structure of human butyrylcholinesterase and of its complexes with substrate and productsHuprine derivatives as sub-nanomolar human acetylcholinesterase inhibitors: from rational design to validation by X-ray crystallographyCrystal structures of human cholinesterases in complex with huprine W and tacrine: elements of specificity for anti-Alzheimer's drugs targeting acetyl- and butyryl-cholinesteraseA wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulationsAn integrated approach with new strategies for QSAR models and lead optimization.Selective and irreversible inhibitors of aphid acetylcholinesterases: steps toward human-safe insecticides.Dual binding site and selective acetylcholinesterase inhibitors derived from integrated pharmacophore models and sequential virtual screening.First principles calculations of thermodynamics and kinetic parameters and molecular dynamics simulations of acetylcholinesterase reactivators: can mouse data provide new insights into humans?Template-based de novo design for type II kinase inhibitors and its extented application to acetylcholinesterase inhibitors.Crystal structure of snake venom acetylcholinesterase in complex with inhibitory antibody fragment Fab410 bound at the peripheral site: evidence for open and closed states of a back door channel.Synthesis and in silico evaluation of 1N-methyl-1S-methyl-2-nitroethylene (NMSM) derivatives against Alzheimer disease: to understand their interacting mechanism with acetylcholinesterase.Oximes: inhibitors of human recombinant acetylcholinesterase. A structure-activity relationship (SAR) studyHigh-throughput immuno-profiling of mamba (Dendroaspis) venom toxin epitopes using high-density peptide microarrays.Predicting affinity- and specificity-enhancing mutations at protein-protein interfaces.How does curcumin work with poor bioavailability? Clues from experimental and theoretical studies.Computational Studies on Acetylcholinesterases.Multitarget drug design strategy in Alzheimer's disease: focus on cholinergic transmission and amyloid-β aggregation.The three-finger toxin fold: a multifunctional structural scaffold able to modulate cholinergic functions.Novel multitarget-directed tacrine derivatives as potential candidates for the treatment of Alzheimer's disease.Reaction pathways and free energy profiles for cholinesterase-catalyzed hydrolysis of 6-monoacetylmorphine.Recent developments in structural studies on acetylcholinesterase.Chemical and pharmacological studies on enantiomerically pure p-methoxytacripyrines, promising multi-target-directed ligands for the treatment of Alzheimer's disease.The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complexControlled concealment of exposed clearance and immunogenic domains by site-specific polyethylene glycol attachment to acetylcholinesterase hypolysine mutants.Nanosecond dynamics of acetylcholinesterase near the active center gorge.Structural insights into substrate traffic and inhibition in acetylcholinesteraseWeak conservation of structural features in the interfaces of homologous transient protein-protein complexes.Reversibly bound and covalently attached ligands induce conformational changes in the omega loop, Cys69-Cys96, of mouse acetylcholinesterase.Conserved structural determinants in three-fingered protein domains.Discriminating of ATP competitive Src kinase inhibitors and decoys using self-organizing map and support vector machine.Hydrolysis of acetylthiocoline, o-nitroacetanilide and o-nitrotrifluoroacetanilide by fetal bovine serum acetylcholinesterase.Discovery of a butyrylcholinesterase-specific probe via a structure-based design strategy.On the Influence of the Protonation States of Active Site Residues on AChE Reactivation: A QM/MM Approach.The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studies.Resorcinol-, catechol- and saligenin-based bronchodilating β2-agonists as inhibitors of human cholinesterase activity.7-Methoxytacrine-adamantylamine heterodimers as cholinesterase inhibitors in Alzheimer's disease treatment--synthesis, biological evaluation and molecular modeling studies.Molecular docking and receptor-specific 3D-QSAR studies of acetylcholinesterase inhibitors.Interaction of metal chelators with different molecular forms of acetylcholinesterase and its significance in Alzheimer's disease treatment.
P2860
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P2860
Structures of recombinant native and E202Q mutant human acetylcholinesterase complexed with the snake-venom toxin fasciculin-II
description
im November 2000 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в листопаді 2000
@uk
name
Structures of recombinant nati ...... nake-venom toxin fasciculin-II
@en
Structures of recombinant nati ...... nake-venom toxin fasciculin-II
@nl
type
label
Structures of recombinant nati ...... nake-venom toxin fasciculin-II
@en
Structures of recombinant nati ...... nake-venom toxin fasciculin-II
@nl
prefLabel
Structures of recombinant nati ...... nake-venom toxin fasciculin-II
@en
Structures of recombinant nati ...... nake-venom toxin fasciculin-II
@nl
P2093
P1476
Structures of recombinant nati ...... nake-venom toxin fasciculin-II
@en
P2093
Arie Lazar
Avigdor Shafferman
Baruch Velan
Chanoch Kronman
Gitay Kryger
Israel Silman
Joel L. Sussman
Lilly Toker
Michal Harel
P304
P356
10.1107/S0907444900010659
P50
P577
2000-11-01T00:00:00Z