(Q35865029)

10 August 2017

Coupling of hydrogenic tunneling to active-site motion in the hydrogen radical transfer catalyzed by a coenzyme B12-dependent mutase (English)

1 reference

Agnieszka Dybala-Defratyka

10 August 2017

Piotr Paneth

2

0 references

Donald Truhlar

object named as

Donald G Truhlar

series ordinal

4

0 references

series ordinal

1

object named as

Agnieszka Dybala-Defratyka

1 reference

10 August 2017

Ruma Banerjee

3

1 reference

PMC publication ID

1904141

10 August 2017

language of work or name

English

0 references

publication date

20 June 2007

1 reference

10 August 2017

6

1 reference

Proceedings of the National Academy of Sciences of the United States of America

inferred from page(s)

published in

1 reference

10 August 2017

104

1 reference

10 August 2017

26

1 reference

10 August 2017

10774-10779

1 reference

Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions

10 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Quantum catalysis in B12-dependent methylmalonyl-CoA mutase: experimental and computational insights

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

How enzymes work: analysis by modern rate theory and computer simulations

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Radical carbon skeleton rearrangements: catalysis by coenzyme B12-dependent mutases

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

The incorporation of quantum effects in enzyme kinetics modeling

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Quantum mechanical methods for enzyme kinetics

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Radical Shuttling in a Protein: Ribose Pseudorotation Controls Alkyl-Radical Transfer in the Coenzyme B(12) Dependent Enzyme Glutamate Mutase

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

5'-Deoxyadenosine contacts the substrate radical intermediate in the active site of ethanolamine ammonia-lyase: 2H and 13C electron nuclear double resonance studies

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

How a protein generates a catalytic radical from coenzyme B(12): X-ray structure of a diol-dehydratase-adeninylpentylcobalamin complex

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Conformational changes on substrate binding to methylmalonyl CoA mutase and new insights into the free radical mechanism

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Mechanism of hydrogen transfer in the coenzyme B12 dependent dioldehydrase reaction. II

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

The mechanism of action of ethanolamine ammonia-lyase, a B 12 -dependent enzyme. 8. Further studies with compounds labeled with isotopes of hydrogen: identification and some properties of the rate-limiting step

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Active site dynamics in protein molecules: a stochastic boundary molecular-dynamics approach.

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Biochemical catalysis involving coenzyme B-12: a rational stepwise mechanistic interpretation of vicinal interchange rearrangements

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Theory of the statistics of kinetic transitions with application to single-molecule enzyme catalysis.

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Computational insights into the mechanism of radical generation in B12-dependent methylmalonyl-CoA mutase.

24 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Stabilisation of methylene radicals by cob(II)alamin in coenzyme B12 dependent mutases

24 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Theoretical evaluation of the hydrogen kinetic isotope effect on the first step of the methylmalonyl-CoA mutase reaction.

24 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Thiyl radicals in ribonucleotide reductases.

24 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1904141

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

24 September 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Optimization of parameters for semiempirical methods I. Method

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Benchmark Results for Hydrogen Atom Transfer between Carbon Centers and Validation of Electronic Structure Methods for Bond Energies and Barrier Heights

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Canonical Variational Theory for Enzyme Kinetics with the Protein Mean Force and Multidimensional Quantum Mechanical Tunneling Dynamics. Theory and Application to Liver Alcohol Dehydrogenase

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Ensemble-averaged variational transition state theory with optimized multidimensional tunneling for enzyme kinetics and other condensed-phase reactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Exact tunneling calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

A least‐action variational method for calculating multidimensional tunneling probabilities for chemical reactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Vibrationally adiabatic models for reactive tunneling

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Phenomenological manifestations of large-curvature tunneling in hydride-transfer reactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

From Force Fields to Dynamics: Classical and Quantal Paths

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Direct dynamics calculation of the kinetic isotope effect for an organic hydrogen-transfer reaction, including corner-cutting tunneling in 21 dimensions

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Variational transition-state theory

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Structure of the 5,6-Dimethylbenzimidazolylcobamide Coenzyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0702188104

Thermodynamic and kinetic characterization of Co-C bond homolysis catalyzed by coenzyme B(12)-dependent methylmalonyl-CoA mutase

21 January 2018

1 reference

12 December 2020

Probing single-molecule protein conformational dynamics

1 reference

12 December 2020

Does Cob(II)alamin act as a conductor in coenzyme B12 dependent mutases?

1 reference

12 December 2020

Evidence that cobalt-carbon bond homolysis is coupled to hydrogen atom abstraction from substrate in methylmalonyl-CoA mutase

1 reference

12 December 2020

Coupling of cobalt-carbon bond homolysis and hydrogen atom abstraction in adenosylcobalamin-dependent glutamate mutase

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.0702188104

1 reference

10 August 2017

0 references

1 reference

PMC publication ID

1904141

10 August 2017

PubMed publication ID

17581872

1 reference

PMC publication ID

1904141