(Q37585480)

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Density functional study for the bridged dinuclear center based on a high-resolution X-ray crystal structure of ba3 cytochrome c oxidase from Thermus thermophilus

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

Density functional study for the bridged dinuclear center based on a high-resolution X-ray crystal structure of ba3 cytochrome c oxidase from Thermus thermophilus (English)

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

X-ray crystallography

0 references

crystal structure

1 reference

based on heuristic

inferred from title

Thermus thermophilus

object named as

Thermus thermophilus

1 reference

based on heuristic

inferred from title

author name string

Wen-Ge Han Du

1

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

Louis Noodleman

2

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

language of work or name

0 references

publication date

21 November 2013

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

Inorganic Chemistry

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

52

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

24

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

14072-14088

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

Ligand Access to the Active Site in Thermus thermophilus ba 3 and Bovine Heart aa 3 Cytochrome Oxidases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Mobility of Xe Atoms within the Oxygen Diffusion Channel of Cytochrome ba 3 Oxidase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Exploring the proton pump and exit pathway for pumped protons in cytochrome ba3 from Thermus thermophilus

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Proton transfer in ba(3) cytochrome c oxidase from Thermus thermophilus

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

The rate-limiting step in O(2) reduction by cytochrome ba(3) from Thermus thermophilus

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Spectroscopic elucidation of a new heme/copper dioxygen structure type: implications for O···O bond rupture in cytochrome c oxidase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Electronic structure of a low-spin heme/Cu peroxide complex: spin-state and spin-topology contributions to reactivity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

High Resolution Structure of the ba3 Cytochrome c Oxidase from Thermus thermophilus in a Lipidic Environment

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

A combined quantum chemical and crystallographic study on the oxidized binuclear center of cytochrome c oxidase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

High resolution crystal structure of Paracoccus denitrificans cytochrome c oxidase: new insights into the active site and the proton transfer pathways

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Combined Microspectrophotometric and Crystallographic Examination of Chemically Reduced and X-ray Radiation-Reduced Forms of Cytochrome ba 3 Oxidase from Thermus thermophilus : Structure of the Reduced Form of the Enzyme †

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Crystallographic studies of Xe and Kr binding within the large internal cavity of cytochrome ba3 from Thermus thermophilus: structural analysis and role of oxygen transport channels in the heme-Cu oxidases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Identification of conserved lipid/detergent-binding sites in a high-resolution structure of the membrane protein cytochrome c oxidase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Resonance Raman characterization of the P intermediate in the reaction of bovine cytochrome c oxidase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Synthetic models for heme-copper oxidases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Cytochrome c oxidase--structure, function, and physiology of a redox-driven molecular machine

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Structure and mechanism of the aberrant ba3-cytochrome c oxidase from Thermus thermophilus

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Examination of the reaction of fully reduced cytochrome oxidase with hydrogen peroxide by flow-flash spectroscopy

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Mass spectrometric determination of dioxygen bond splitting in the "peroxy" intermediate of cytochrome c oxidase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Dioxygen activation and bond cleavage by mixed-valence cytochrome c oxidase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Redox-coupled crystal structural changes in bovine heart cytochrome c oxidase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Structure at 2.7 A resolution of the Paracoccus denitrificans two-subunit cytochrome c oxidase complexed with an antibody FV fragment

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Energy-dependent reversal of the cytochrome oxidase reaction

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Properties of a copper-containing cytochrome ba3: a second terminal oxidase from the extreme thermophile Thermus thermophilus

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Primary intermediate in the reaction of oxygen with fully reduced cytochrome c oxidase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Oxygen activation and the conservation of energy in cell respiration

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Functional intermediates in reaction of cytochrome oxidase with oxygen

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

23 August 2017

Active site intermediates in the reduction of O(2) by cytochrome oxidase, and their derivatives

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

6 September 2017

Functional proton transfer pathways in the heme-copper oxidase superfamily

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

6 September 2017

The mechanism for proton pumping in cytochrome c oxidase from an electrostatic and quantum chemical perspective

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

6 September 2017

Cytochrome c oxidase: Intermediates of the catalytic cycle and their energy-coupled interconversion

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

6 September 2017

Proton-coupled electron transfer in cytochrome oxidase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

6 September 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

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=3925067

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

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

14 September 2017

DFT calculations for intermediate and active states of the diiron center with a tryptophan or tyrosine radical in Escherichia coli ribonucleotide reductase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

25 June 2018

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

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

25 June 2018

Toward a chemical mechanism of proton pumping by the B-type cytochrome c oxidases: application of density functional theory to cytochrome ba3 of Thermus thermophilus

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

25 June 2018

The effect of pH and temperature on the reaction of fully reduced and mixed-valence cytochrome c oxidase with dioxygen

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

25 June 2018

Mössbauer properties of the diferric cluster and the differential iron(II)-binding affinity of the iron sites in protein R2 of class Ia Escherichia coli ribonucleotide reductase: a DFT/electrostatics study

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

1 September 2018

Binding of CO, NO, and O2 to heme by density functional and multireference ab initio calculations.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

1 September 2018

A theoretical study on nitric oxide reductase activity in a ba(3)-type heme-copper oxidase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

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

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

1 September 2018

A novel cryoprotection scheme for enhancing the diffraction of crystals of recombinant cytochrome ba3 oxidase from Thermus thermophilus

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3925067

1 September 2018

Proton pumping mechanism in cytochrome c oxidase

1 reference

https://pubmed.ncbi.nlm.nih.gov/24262070

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Performance of CASPT2 and DFT for Relative Spin-State Energetics of Heme Models

1 reference

https://pubmed.ncbi.nlm.nih.gov/24262070

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Reaction of hydrogen peroxide with the rapid form of resting cytochrome oxidase

1 reference

https://pubmed.ncbi.nlm.nih.gov/24262070

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure of CuB in the Binuclear Heme-Copper Center of the Cytochrome aa3-Type Quinol Oxidase from Bacillus subtilis: An ENDOR and EXAFS Study

1 reference

https://pubmed.ncbi.nlm.nih.gov/24262070

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A resonance Raman band assignable to the O-O stretching mode in the resting oxidized state of bovine heart cytochrome c oxidase

1 reference

https://pubmed.ncbi.nlm.nih.gov/24262070

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Electron transfer among the CuA-, heme b- and a3-centers of Thermus thermophilus cytochrome ba3

1 reference

https://pubmed.ncbi.nlm.nih.gov/24262070

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Observation of a novel transient ferryl complex with reduced CuB in cytochrome c oxidase

1 reference

https://pubmed.ncbi.nlm.nih.gov/24262070

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Heme/Copper Terminal Oxidases

1 reference

https://pubmed.ncbi.nlm.nih.gov/24262070

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/IC401858S

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

release_377zs5qm5fcjdmrewvfeuyorai

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https://api.fatcat.wiki/v0/release/377zs5qm5fcjdmrewvfeuyorai

24 November 2022

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mapped directly with Wikidata item

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

21 August 2017

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