(Q37852767)

English

Density functional theory analysis of structure, energetics, and spectroscopy for the Mn-Fe active site of Chlamydia trachomatis ribonucleotide reductase in four oxidation states

scientific article published on August 2010

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scholarly article

1 reference

Europe PubMed Central

24 August 2017

Density functional theory analysis of structure, energetics, and spectroscopy for the Mn-Fe active site of Chlamydia trachomatis ribonucleotide reductase in four oxidation states (English)

1 reference

Europe PubMed Central

24 August 2017

Chlamydia trachomatis

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density functional theory

1 reference

based on heuristic

inferred from title

author name string

Wen-Ge Han

1

1 reference

Europe PubMed Central

24 August 2017

Debra Ann Giammona

2

1 reference

Europe PubMed Central

24 August 2017

Donald Bashford

3

1 reference

Europe PubMed Central

24 August 2017

Louis Noodleman

4

1 reference

Europe PubMed Central

24 August 2017

language of work or name

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publication date

1 August 2010

1 reference

Europe PubMed Central

24 August 2017

Inorganic Chemistry

1 reference

Europe PubMed Central

24 August 2017

49

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Europe PubMed Central

24 August 2017

16

1 reference

Europe PubMed Central

24 August 2017

7266-7281

1 reference

Europe PubMed Central

24 August 2017

A Mycobacterium tuberculosis ligand-binding Mn/Fe protein reveals a new cofactor in a remodeled R2-protein scaffold

1 reference

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6 September 2017

Structural Model Studies for the High-Valent Intermediate Q of Methane Monooxygenase from Broken-Symmetry Density Functional Calculations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2919573

6 September 2017

Density functional theory study of the manganese-containing ribonucleotide reductase from Chlamydia trachomatis: why manganese is needed in the active complex

1 reference

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6 September 2017

Redox intermediates of the Mn-Fe Site in subunit R2 of Chlamydia trachomatis ribonucleotide reductase: an X-ray absorption and EPR study

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2919573

6 September 2017

Formation and function of the Manganese(IV)/Iron(III) cofactor in Chlamydia trachomatis ribonucleotide reductase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2919573

6 September 2017

Structural analysis of the Mn(IV)/Fe(III) cofactor of Chlamydia trachomatis ribonucleotide reductase by extended X-ray absorption fine structure spectroscopy and density functional theory calculations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2919573

6 September 2017

Branched activation- and catalysis-specific pathways for electron relay to the manganese/iron cofactor in ribonucleotide reductase from Chlamydia trachomatis

1 reference

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6 September 2017

Rapid and quantitative activation of Chlamydia trachomatis ribonucleotide reductase by hydrogen peroxide

1 reference

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6 September 2017

A manganese(IV)/iron(IV) intermediate in assembly of the manganese(IV)/iron(III) cofactor of Chlamydia trachomatis ribonucleotide reductase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2919573

6 September 2017

The active form of Chlamydia trachomatis ribonucleotide reductase R2 protein contains a heterodinuclear Mn(IV)/Fe(III) cluster with S = 1 ground state

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2919573

6 September 2017

A manganese(IV)/iron(III) cofactor in Chlamydia trachomatis ribonucleotide reductase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2919573

6 September 2017

Seven clues to the origin and structure of class-I ribonucleotide reductase intermediate X.

1 reference

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6 September 2017

The radical site in chlamydial ribonucleotide reductase defines a new R2 subclass

1 reference

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6 September 2017

Structural and mutational studies of the carboxylate cluster in iron-free ribonucleotide reductase R2.

1 reference

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6 September 2017

Mechanistic studies on the hydroxylation of methane by methane monooxygenase.

1 reference

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6 September 2017

Mechanisms of metalloenzymes studied by quantum chemical methods

1 reference

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6 September 2017

Density functional study of the mechanism of a tyrosine phosphatase: I. Intermediate formation

1 reference

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6 September 2017

Geometric and electronic structure/function correlations in non-heme iron enzymes

1 reference

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6 September 2017

Generalized Gradient Approximation Made Simple

1 reference

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6 September 2017

Crystal structure of the hydroxylase component of methane monooxygenase from Methylosinus trichosporium OB3b

1 reference

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6 September 2017

The three-dimensional structure of mammalian ribonucleotide reductase protein R2 reveals a more-accessible iron-radical site than Escherichia coli R2

1 reference

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6 September 2017

Crystal structure of reduced protein R2 of ribonucleotide reductase: the structural basis for oxygen activation at a dinuclear iron site

1 reference

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6 September 2017

Electrostatic calculations of side-chain pK(a) values in myoglobin and comparison with NMR data for histidines

1 reference

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6 September 2017

Structure and function of the Escherichia coli ribonucleotide reductase protein R2

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2919573

6 September 2017

The redox centers of ribonucleotide reductase of Escherichia coli

1 reference

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6 September 2017

Quantum cluster size and solvent polarity effects on the geometries and Mössbauer properties of the active site model for ribonucleotide reductase intermediate X: a density functional theory study

1 reference

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14 September 2017

DFT calculations of comparative energetics and ENDOR/Mössbauer properties for two protonation states of the iron dimer cluster of ribonucleotide reductase intermediate X.

1 reference

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1 reference

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Experimental and DFT studies: novel structural modifications greatly enhance the solvent sensitivity of live cell imaging dyes

1 reference

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23 June 2018

Spectroscopic and electronic structure studies of intermediate X in ribonucleotide reductase R2 and two variants: a description of the FeIV-oxo bond in the FeIII-O-FeIV dimer

1 reference

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23 June 2018

Geometry of the soluble methane monooxygenase catalytic diiron center in two oxidation states.

1 reference

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23 June 2018

Identification of the stable free radical tyrosine residue in ribonucleotide reductase.

1 reference

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23 June 2018

Mössbauer and EPR studies of the binuclear iron center in ribonucleotide reductase from Escherichia coli. A new iron-to-protein stoichiometry

1 reference

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23 June 2018

Mechanism of assembly of the tyrosyl radical-dinuclear iron cluster cofactor of ribonucleotide reductase.

1 reference

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23 June 2018

Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin

1 reference

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23 June 2018

Identification of protonated oxygenic ligands of ribonucleotide reductase intermediate X.

1 reference

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Structural model studies for the peroxo intermediate P and the reaction pathway from P-->Q of methane monooxygenase using broken-symmetry density functional calculations

1 reference

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1 September 2018

Density functional theory study of Fe(IV) d-d optical transitions in active-site models of class I ribonucleotide reductase intermediate X with vertical self-consistent reaction field methods

1 reference

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1 September 2018

DFT calculations of 57Fe Mössbauer isomer shifts and quadrupole splittings for iron complexes in polar dielectric media: applications to methane monooxygenase and ribonucleotide reductase

1 reference

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1 September 2018

Active site structure of class I ribonucleotide reductase intermediate X: a density functional theory analysis of structure, energetics, and spectroscopy

1 reference

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1 September 2018

Rapid-freeze-quench magnetic circular dichroism of intermediate X in ribonucleotide reductase: new structural insight

1 reference

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1 reference

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1 September 2018

Determination by X-ray absorption spectroscopy of the Fe-Fe separation in the oxidized form of the hydroxylase of methane monooxygenase alone and in the presence of MMOD.

1 reference

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Density functional theory of biologically relevant metal centers.

1 reference

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1 September 2018

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1 reference

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Desaturation reactions catalyzed by soluble methane monooxygenase

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Energetics of oxidized and reduced methane monooxygenase active site clusters in the protein environment

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The iron-oxygen reconstitution reaction in protein R2-Tyr-177 mutants of mouse ribonucleotide reductase. Epr and electron nuclear double resonance studies on a new transient tryptophan radical

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Identifiers

10.1021/IC902051T

1 reference

Europe PubMed Central

24 August 2017

1 reference

Europe PubMed Central

24 August 2017

1 reference

Europe PubMed Central

24 August 2017

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