Structure of HI-6*sarin-acetylcholinesterase determined by X-ray crystallography and molecular dynamics simulation: reactivator mechanism and design (Q21090062)

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

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English	Structure of HI-6*sarin-acetylcholinesterase determined by X-ray crystallography and molecular dynamics simulation: reactivator mechanism and design	scientific article	Structure of HI-6•Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design

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scholarly article

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Structure of HI-6*sarin-acetylcholinesterase determined by X-ray crystallography and molecular dynamics simulation: reactivator mechanism and design (English)

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molecular dynamics simulation

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X-ray crystallography

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molecular design

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Gunter Schneider

5

object named as

Gunter Schneider

author given names

Gunter

author last names

Schneider

1 reference

16 August 2022

6

object named as

Yuan-Ping Pang

author given names

Yuan-Ping

author last names

Pang

1 reference

16 August 2022

author name string

Fredrik Ekström

1

author given names

Fredrik

author last names

Ekström

1 reference

16 August 2022

Andreas Hörnberg

2

author given names

Andreas

author last names

Hörnberg

1 reference

16 August 2022

Elisabet Artursson

3

author given names

Elisabet

author last names

Artursson

1 reference

16 August 2022

Lars-Gunnar Hammarström

4

author given names

Lars-Gunnar

author last names

Hammarström

1 reference

16 August 2022

language of work or name

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publication date

2009

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4

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e5957

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6

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copyright license

Creative Commons Attribution 4.0 International

18 June 2009

1 reference

April 2022 Public Data File from Crossref

copyright status

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Novel nerve-agent antidote design based on crystallographic and mass spectrometric analyses of tabun-conjugated acetylcholinesterase in complex with antidotes

1 reference

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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

1 reference

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Freeze-frame inhibitor captures acetylcholinesterase in a unique conformation

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1 reference

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"Back door" opening implied by the crystal structure of a carbamoylated acetylcholinesterase

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Free R value: a novel statistical quantity for assessing the accuracy of crystal structures

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

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Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteins

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1 reference

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1 reference

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1 reference

https://pubmed.ncbi.nlm.nih.gov/19536291

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Identifiers

10.1371/JOURNAL.PONE.0005957

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2009PLoSO...4.5957E

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