(Q42285131)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22280021%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

title

Determinants of reactivity and selectivity in soluble epoxide hydrolase from quantum mechanics/molecular mechanics modeling (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22280021%20AND%20SRC:MED&resulttype=core&format=json

Soluble epoxide hydrolase

21 January 2020

main subject

quantum mechanics

0 references

0 references

author

Adrian J Mulholland

5

1 reference

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21 January 2020

author name string

Richard Lonsdale

1

1 reference

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21 January 2020

Simon Hoyle

2

1 reference

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21 January 2020

Daniel T Grey

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22280021%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

Lars Ridder

4

1 reference

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21 January 2020

language of work or name

English

0 references

publication date

10 February 2012

1 reference

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21 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22280021%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

volume

51

1 reference

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21 January 2020

issue

8

1 reference

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21 January 2020

page(s)

1774-1786

1 reference

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2020

cites work

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Synthesis and structure-activity relationship studies of urea-containing pyrazoles as dual inhibitors of cyclooxygenase-2 and soluble epoxide hydrolase

26 October 2017

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Mutations in salt-bridging residues at the interface of the core and lid domains of epoxide hydrolase StEH1 affect regioselectivity, protein stability and hysteresis.

26 October 2017

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26 October 2017

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26 October 2017

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Directed evolution of an enantioselective epoxide hydrolase: uncovering the source of enantioselectivity at each evolutionary stage

26 October 2017

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26 October 2017

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Active site of epoxide hydrolases revisited: a noncanonical residue in potato StEH1 promotes both formation and breakdown of the alkylenzyme intermediate

26 October 2017

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Conformational effects in enzyme catalysis: reaction via a high energy conformation in fatty acid amide hydrolase

26 October 2017

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Implications for an ionized alkyl-enzyme intermediate during StEH1-catalyzed trans-stilbene oxide hydrolysis

26 October 2017

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Very fast empirical prediction and rationalization of protein pKa values

26 October 2017

1 reference

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Epoxide hydrolases: mechanisms, inhibitor designs, and biological roles

26 October 2017

1 reference

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Structure of human epoxide hydrolase reveals mechanistic inferences on bifunctional catalysis in epoxide and phosphate ester hydrolysis

26 October 2017

1 reference

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The telltale structures of epoxide hydrolases.

26 October 2017

1 reference

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Apparent NAC effect in chorismate mutase reflects electrostatic transition state stabilization

26 October 2017

1 reference

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The soluble epoxide hydrolase encoded by EPXH2 is a bifunctional enzyme with novel lipid phosphate phosphatase activity

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

The N-terminal domain of mammalian soluble epoxide hydrolase is a phosphatase

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

Computer simulations of enzyme catalysis: methods, progress, and insights

26 October 2017

1 reference

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Soluble epoxide hydrolase inhibition lowers arterial blood pressure in angiotensin II hypertension

26 October 2017

1 reference

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Inhibitors of soluble epoxide hydrolase attenuate vascular smooth muscle cell proliferation

26 October 2017

1 reference

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What are the dielectric "constants" of proteins and how to validate electrostatic models?

26 October 2017

1 reference

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Synthetic applications of epoxide hydrolases

26 October 2017

1 reference

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Epoxide hydrolases: biochemistry and molecular biology

26 October 2017

1 reference

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New structural and chemical insight into the catalytic mechanism of epoxide hydrolases

26 October 2017

1 reference

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How important are entropic contributions to enzyme catalysis?

26 October 2017

1 reference

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Targeted disruption of soluble epoxide hydrolase reveals a role in blood pressure regulation

26 October 2017

1 reference

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Biochemical evidence for the involvement of tyrosine in epoxide activation during the catalytic cycle of epoxide hydrolase

26 October 2017

1 reference

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Binding of alkylurea inhibitors to epoxide hydrolase implicates active site tyrosines in substrate activation

26 October 2017

1 reference

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26 October 2017

The Protein Data Bank

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Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase

26 October 2017

1 reference

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The x-ray structure of epoxide hydrolase from Agrobacterium radiobacter AD1. An enzyme to detoxify harmful epoxides

26 October 2017

1 reference

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Asp333, Asp495, and His523 form the catalytic triad of rat soluble epoxide hydrolase

26 October 2017

1 reference

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Properties of cytosolic epoxide hydrolase purified from the liver of untreated and clofibrate-treated mice. Characterization of optimal assay conditions, substrate specificity and effects of modulators on the catalytic activity

26 October 2017

1 reference

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Enzyme-catalyzed detoxication reactions: mechanisms and stereochemistry

26 October 2017

1 reference

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Compound I reactivity defines alkene oxidation selectivity in cytochrome P450cam

26 October 2017

1 reference

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Proton shuttles and phosphatase activity in soluble epoxide hydrolase

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

Testing high-level QM/MM methods for modeling enzyme reactions: acetyl-CoA deprotonation in citrate synthase

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

Temperature and pH dependence of enzyme-catalyzed hydrolysis of trans-methylstyrene oxide. A unifying kinetic model for observed hysteresis, cooperativity, and regioselectivity

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

Substrate-dependent hysteretic behavior in StEH1-catalyzed hydrolysis of styrene oxide derivatives

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

High-level QM/MM modelling predicts an arginine as the acid in the condensation reaction catalysed by citrate synthase

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

Comparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

High-accuracy computation of reaction barriers in enzymes.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

Computational study of phosphatase activity in soluble epoxide hydrolase: high efficiency through a water bridge mediated proton shuttle.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

Catalysis of potato epoxide hydrolase, StEH1.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

Conformational effects in enzyme catalysis: QM/MM free energy calculation of the 'NAC' contribution in chorismate mutase

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

Reaction mechanism of soluble epoxide hydrolase: insights from molecular dynamics simulations

17 August 2018

1 reference

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Quantum mechanical/molecular mechanical free energy simulations of the glutathione S-transferase (M1-1) reaction with phenanthrene 9,10-oxide

17 August 2018

1 reference

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Soluble epoxide hydrolase regulates hydrolysis of vasoactive epoxyeicosatrienoic acids

17 August 2018

1 reference

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Isolation of a putative hydroxyacyl enzyme intermediate of an epoxide hydrolase

17 August 2018

1 reference

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Mechanism of soluble epoxide hydrolase. Formation of an alpha-hydroxy ester-enzyme intermediate through Asp-333.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

Density Functionals with Broad Applicability in Chemistry

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3290109

Insights into the Reaction Mechanism of Soluble Epoxide Hydrolase from Theoretical Active Site Mutants

1 December 2018

1 reference

12 December 2020

Substrate polarization in enzyme catalysis: QM/MM analysis of the effect of oxaloacetate polarization on acetyl-CoA enolization in citrate synthase

1 reference

12 December 2020

Kinetic mechanism of the enantioselective conversion of styrene oxide by epoxide hydrolase from Agrobacterium radiobacter AD1

1 reference

12 December 2020

Molecular determinants of xenobiotic metabolism: QM/MM simulation of the conversion of 1-chloro-2,4-dinitrobenzene catalyzed by M1-1 glutathione S-transferase

1 reference

12 December 2020

Theoretical Study of the Full Reaction Mechanism of Human Soluble Epoxide Hydrolase

1 reference

12 December 2020

The reaction of arachidonic acid epoxides (epoxyeicosatrienoic acids) with a cytosolic epoxide hydrolase

1 reference

12 December 2020

Computational enzymology

1 reference

12 December 2020

Spin-forbidden CO ligand recombination in myoglobin

1 reference

12 December 2020

Tyrosine residues serve as proton donor in the catalytic mechanism of epoxide hydrolase from Agrobacterium radiobacter

1 reference

12 December 2020

Visualization of a covalent intermediate between microsomal epoxide hydrolase, but not cholesterol epoxide hydrolase, and their substrates

1 reference

12 December 2020

Identifiers

DOI

10.1021/BI201722J

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22280021%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22280021%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

PubMed publication ID

22280021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22280021%20AND%20SRC:MED&resulttype=core&format=json