Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesterase (Q41833021)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19924840%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

title

Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesterase (English)

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12 February 2020

1

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12 February 2020

author name string

Yingkai Zhang

series ordinal

2

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12 February 2020

Chang-Guo Zhan

series ordinal

3

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language of work or name

English

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publication date

1 December 2009

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Journal of Physical Chemistry B

12 February 2020

published in

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12 February 2020

volume

113

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issue

50

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12 February 2020

page(s)

16226-16236

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Most efficient cocaine hydrolase designed by virtual screening of transition states

12 February 2020

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6 June 2018

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Crystal structures of acetylcholinesterase in complex with organophosphorus compounds suggest that the acyl pocket modulates the aging reaction by precluding the formation of the trigonal bipyramidal transition state

6 June 2018

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6 June 2018

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Molecular dynamics simulation of cocaine binding with human butyrylcholinesterase and its mutants

6 June 2018

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6 June 2018

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Catalytic mechanism and energy barriers for butyrylcholinesterase-catalyzed hydrolysis of cocaine

6 June 2018

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Modeling evolution of hydrogen bonding and stabilization of transition states in the process of cocaine hydrolysis catalyzed by human butyrylcholinesterase

6 June 2018

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Computational redesign of human butyrylcholinesterase for anticocaine medication

6 June 2018

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6 June 2018

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Acetylcholinesterase active centre and gorge conformations analysed by combinatorial mutations and enantiomeric phosphonates

6 June 2018

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Neurobehavioural effects among workers occupationally exposed to organophosphorous pesticides

6 June 2018

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Role of the catalytic triad and oxyanion hole in acetylcholinesterase catalysis: an ab initio QM/MM study

6 June 2018

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Functional and structural changes due to a serine to alanine mutation in the active-site flap of enolase

6 June 2018

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The potential for toxic effects of chronic, low-dose exposure to organophosphates

6 June 2018

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Structures of recombinant native and E202Q mutant human acetylcholinesterase complexed with the snake-venom toxin fasciculin-II

6 June 2018

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A foodborne outbreak of organophosphate poisoning

6 June 2018

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Role of a Buried Acid Group in the Mechanism of Action of Chymotrypsin

6 June 2018

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6 June 2018

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Atomic Structure of Acetylcholinesterase from Torpedo californica : A Prototypic Acetylcholine-Binding Protein

6 June 2018

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6 June 2018

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18 August 2018

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18 August 2018

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18 August 2018

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18 August 2018

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18 August 2018

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18 August 2018

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18 August 2018

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18 August 2018

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18 August 2018

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18 August 2018

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Dimethylphosphoryl-inhibited human cholinesterases: inhibition, reactivation, and aging kinetics.

18 August 2018

1 reference

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18 August 2018

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Open "back door" in a molecular dynamics simulation of acetylcholinesterase.

18 August 2018

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Self-poisoning with pesticides in India

18 August 2018

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12 December 2020

Catalytic mechanism and metal specificity of bacterial peptide deformylase: a density functional theory QM/MM study

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12 December 2020

Unexpected deacetylation mechanism suggested by a density functional theory QM/MM study of histone-deacetylase-like protein

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Mutant acetylcholinesterases as potential detoxification agents for organophosphate poisoning

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12 December 2020

Fatal intentional poisoning cases admitted to the University Hospitals of Leuven, Belgium from 1993 to 1996

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Study proves Iraq used nerve gas

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Improved pseudobonds for combined ab initio quantum mechanical/molecular mechanical methods

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12 December 2020

Identifiers

DOI

10.1021/JP9055335

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19924840%20AND%20SRC:MED&resulttype=core&format=json

release_3ltttwypbffwxomrguox7rifs4

12 February 2020

Fatcat ID

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Fatcat

https://api.fatcat.wiki/v0/release/3ltttwypbffwxomrguox7rifs4

24 November 2022

mapped directly with Wikidata item

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12 February 2020

PubMed publication ID

19924840

1 reference