(Q37353149)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19199636%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

title

Critical role of substrate conformational change in the proton transfer process catalyzed by 4-oxalocrotonate tautomerase (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19199636%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

author

José Javier Ruiz-Pernía

1

1 reference

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21 January 2020

Mireia Garcia-Viloca

2

1 reference

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21 January 2020

Sudeep Bhattacharyya

3

1 reference

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21 January 2020

Donald Truhlar

5

1 reference

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21 January 2020

Iñaki Tuñón

6

1 reference

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21 January 2020

author name string

Jiali Gao

4

1 reference

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21 January 2020

language of work or name

English

0 references

publication date

1 February 2009

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19199636%20AND%20SRC:MED&resulttype=core&format=json

Journal of the American Chemical Society

21 January 2020

published in

1 reference

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21 January 2020

volume

131

1 reference

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21 January 2020

issue

7

1 reference

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21 January 2020

page(s)

2687-2698

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19199636%20AND%20SRC:MED&resulttype=core&format=json

Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection

21 January 2020

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6 September 2017

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6 September 2017

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6 September 2017

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Single-molecule transition-state analysis of RNA folding

6 September 2017

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Catalysis by enzyme conformational change as illustrated by orotidine 5′-monophosphate decarboxylase

6 September 2017

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Conformational dynamics along an enzymatic reaction pathway: thymidylate synthase, "the movie".

6 September 2017

1 reference

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The crystal structure of YdcE, a 4-oxalocrotonate tautomerase homologue from Escherichia coli, confirms the structural basis for oligomer diversity

6 September 2017

1 reference

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The incorporation of quantum effects in enzyme kinetics modeling

6 September 2017

1 reference

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The 4-oxalocrotonate tautomerase family of enzymes: how nature makes new enzymes using a beta-alpha-beta structural motif

6 September 2017

1 reference

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Propagating conformational changes over long (and short) distances in proteins

6 September 2017

1 reference

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Crystal structure at 2.4 A resolution of Borrelia burgdorferi inosine 5'-monophosphate dehydrogenase: evidence of a substrate-induced hinged-lid motion by loop 6

6 September 2017

1 reference

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Crystal structure of 4-oxalocrotonate tautomerase inactivated by 2-oxo-3-pentynoate at 2.4 A resolution: analysis and implications for the mechanism of inactivation and catalysis

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746755

Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746755

4-Oxalocrotonate tautomerase, a 41-kDa homohexamer: backbone and side-chain resonance assignments, solution secondary structure, and location of active site residues by heteronuclear NMR spectroscopy

6 September 2017

1 reference

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Probing the oligomeric structure of an enzyme by electrospray ionization time-of-flight mass spectrometry

6 September 2017

1 reference

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Catalytic role of the amino-terminal proline in 4-oxalocrotonate tautomerase: affinity labeling and heteronuclear NMR studies

6 September 2017

1 reference

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Enzymatic ketonization of 2-hydroxymuconate: specificity and mechanism investigated by the crystal structures of two isomerases

6 September 2017

1 reference

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X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis

6 September 2017

1 reference

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Physically associated enzymes produce and metabolize 2-hydroxy-2,4-dienoate, a chemically unstable intermediate formed in catechol metabolism via meta cleavage in Pseudomonas putida

6 September 2017

1 reference

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4-Oxalocrotonate tautomerase, an enzyme composed of 62 amino acid residues per monomer

6 September 2017

1 reference

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Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution

6 September 2017

1 reference

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Sensitivity of molecular dynamics simulations to the choice of the X-ray structure used to model an enzymatic reaction

14 September 2017

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26 June 2018

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Quantum chemical modeling of enzymatic reactions: the case of 4-oxalocrotonate tautomerase

2 September 2018

1 reference

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Understanding the enzymatic activity of 4-oxalocrotonate tautomerase and its mutant analogues: a computational study.

2 September 2018

1 reference

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Catalytic mechanism and product specificity of the histone lysine methyltransferase SET7/9: an ab initio QM/MM-FE study with multiple initial structures.

2 September 2018

1 reference

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Theoretical and experimental determination on two substrates turned over by 4-oxalocrotonate tautomerase

2 September 2018

1 reference

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Dependence of transition state structure on substrate: the intrinsic C-13 kinetic isotope effect is different for physiological and slow substrates of the ornithine decarboxylase reaction because of different hydrogen bonding structures

2 September 2018

1 reference

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Electrostatic interactions dominate the catalytic contribution of arg39 in 4-oxalocrotonate tautomerase

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746755

Parallel iterative reaction path optimization in ab initio quantum mechanical/molecular mechanical modeling of enzyme reactions.

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746755

Multiple states of the Tyr318Leu mutant of dihydroorotate dehydrogenase revealed by single-molecule kinetics

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746755

The protein backbone makes important contributions to 4-oxalocrotonate tautomerase enzyme catalysis: understanding from theory and experiment

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746755

Reaction-path energetics and kinetics of the hydride transfer reaction catalyzed by dihydrofolate reductase

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746755

Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautomerase

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746755

Hydride transfer catalyzed by xylose isomerase: mechanism and quantum effects

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746755

Substrate Orientation in 4-Oxalocrotonate Tautomerase and Its Effect on QM/MM Energy Profiles

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746755

15N NMR relaxation studies of free and inhibitor-bound 4-oxalocrotonate tautomerase: backbone dynamics and entropy changes of an enzyme upon inhibitor binding

3 December 2018

1 reference

12 December 2020

Hybrid quantum mechanics/molecular mechanics simulations with two-dimensional interpolated corrections: application to enzymatic processes

1 reference

12 December 2020

Activation Free Energy of CatecholO-Methyltransferase. Corrections to the Potential of Mean Force†

1 reference

12 December 2020

4-Oxalocrotonate tautomerase: pH dependence of catalysis and pKa values of active site residues

1 reference

12 December 2020

A theoretical analysis of rate constants and kinetic isotope effects corresponding to different reactant valleys in lactate dehydrogenase

1 reference

12 December 2020

Multiple-site titration and molecular modeling: two rapid methods for computing energies and forces for ionizable groups in proteins

1 reference

12 December 2020

Kinetic, stereochemical, and structural effects of mutations of the active site arginine residues in 4-oxalocrotonate tautomerase

1 reference

12 December 2020

Identifiers

DOI

10.1021/JA8087423

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19199636%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19199636%20AND%20SRC:MED&resulttype=core&format=json

21 January 2020

PubMed publication ID

19199636

1 reference