Ligand-bound S = 1/2 FeMo-cofactor of nitrogenase: hyperfine interaction analysis and implication for the central ligand X identity (Q42529551)

1 November 2017

Ligand-bound S = 1/2 FeMo-cofactor of nitrogenase: hyperfine interaction analysis and implication for the central ligand X identity (English)

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1 November 2017

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Vladimir Pelmenschikov

object named as

Vladimir Pelmenschikov

series ordinal

1

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author name string

David A Case

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2

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1 November 2017

Louis Noodleman

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3

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1 November 2017

language of work or name

English

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publication date

26 June 2008

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1 November 2017

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1 November 2017

47

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1 November 2017

14

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1 November 2017

6162-6172

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Alkyne substrate interaction within the nitrogenase MoFe protein

1 November 2017

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

How many metals does it take to fix N2? A mechanistic overview of biological nitrogen fixation

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Breaking the N2 triple bond: insights into the nitrogenase mechanism

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Nitrogenase MoFe-protein at 1.16 A resolution: a central ligand in the FeMo-cofactor

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Binding modes for the first coupled electron and proton addition to FeMoco of nitrogenase

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Iron-Sulfur Clusters: Nature's Modular, Multipurpose Structures

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Isolation of an iron-molybdenum cofactor from nitrogenase

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Novel metal cluster in the iron-molybdenum cofactor of nitrogenase. Spectroscopic evidence

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Testing if the interstitial atom, X, of the nitrogenase molybdenum-iron cofactor is N or C: ENDOR, ESEEM, and DFT studies of the S = 3/2 resting state in multiple environments

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Ammonia production at the FeMo cofactor of nitrogenase: results from density functional theory.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Electron inventory, kinetic assignment (E(n)), structure, and bonding of nitrogenase turnover intermediates with C2H2 and CO.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Substrate interactions with the nitrogenase active site

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

The mechanism of nitrogenase. Computed details of the site and geometry of binding of alkyne and alkene substrates and intermediates

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

An organometallic intermediate during alkyne reduction by nitrogenase.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Localization of a catalytic intermediate bound to the FeMo-cofactor of nitrogenase

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Chemical activity of the nitrogenase FeMo cofactor with a central nitrogen ligand: density functional study

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Density functional theory calculations and exploration of a possible mechanism of N2 reduction by nitrogenase

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Density functional study of the electric hyperfine interactions and the redox-structural correlations in the cofactor of nitrogenase. Analysis of general trends in (57)Fe isomer shifts

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Structural, spectroscopic, and redox consequences of a central ligand in the FeMoco of nitrogenase: a density functional theoretical study

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

FeMo cofactor of nitrogenase: energetics and local interactions in the protein environment

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

FeMo cofactor of nitrogenase: a density functional study of states M(N), M(OX), M(R), and M(I).

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

The Interstitial Atom of the Nitrogenase FeMo-Cofactor: ENDOR and ESEEM Show It Is Not an Exchangeable Nitrogen

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2535911

Modeling a central ligand in the nitrogenase FeMo cofactor

1 December 2018

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12 December 2020

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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12 December 2020

Mechanistic significance of the preparatory migration of hydrogen atoms around the FeMo-co active site of nitrogenase

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12 December 2020

The correlation of redox potential, HOMO energy, and oxidation state in metal sulfide clusters and its application to determine the redox level of the FeMo-co active-site cluster of nitrogenase

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12 December 2020

Model for Acetylene Reduction by Nitrogenase Derived from Density Functional Theory

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12 December 2020

The consequences of an interstitial N atom in the FeMo cofactor of nitrogenase

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12 December 2020

Identifiers

DOI

10.1021/IC7022743

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1 November 2017

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1 November 2017

PubMed publication ID

18578487

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