Density functional theory investigations of NiN2S2 reactivity as a function of nitrogen donor type and N-H...S hydrogen bonding inspired by nickel-containing superoxide dismutase (Q83841444)

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scientific article published on 25 May 2006

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English	Density functional theory investigations of NiN2S2 reactivity as a function of nitrogen donor type and N-H...S hydrogen bonding inspired by nickel-containing superoxide dismutase	scientific article published on 25 May 2006

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scholarly article

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16724228%20AND%20SRC:MED&resulttype=core&format=json

28 January 2020

Density functional theory investigations of NiN2S2 reactivity as a function of nitrogen donor type and N-H...S hydrogen bonding inspired by nickel-containing superoxide dismutase (English)

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16724228%20AND%20SRC:MED&resulttype=core&format=json

28 January 2020

density functional theory

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Craig A Grapperhaus

2

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28 January 2020

author name string

C S Mullins

1

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28 January 2020

P M Kozlowski

3

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28 January 2020

publication date

25 May 2006

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28 January 2020

Journal of Biological Inorganic Chemistry

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28 January 2020

11

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28 January 2020

5

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28 January 2020

617-625

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28 January 2020

https://scigraph.springernature.com/pub.10.1007/s00775-006-0109-6

0 references

Structure of fully reduced bovine copper zinc superoxide dismutase at 1.15 A

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Electronic structure control of the nucleophilicity of transition metal-thiolate complexes: an experimental and theoretical study

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

H-bonding interactions and control of thiolate nucleophilicity and specificity in model complexes of zinc metalloproteins.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Nickel-containing superoxide dismutase

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Local molecular properties and their use in predicting reactivity

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Unique reactivity of a tetradentate N(2)S(2) complex of nickel: intermediates in the production of sulfur oxygenates.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A nickel superoxide dismutase maquette that reproduces the spectroscopic and functional properties of the metalloenzyme

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Discontinuum between a thiolate and a thiol ligand

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Unraveling the structure and mechanism of acetyl-coenzyme A synthase

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Theoretical Study of the Oxidation of Nickel Thiolate Complexes by O(2)

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystal structure of nickel-containing superoxide dismutase reveals another type of active site

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Superoxide radical and superoxide dismutases

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

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Modeling carbon monoxide dehydrogenase/acetyl-CoA synthase (CODH/ACS): a trinuclear nickel complex employing deprotonated amides and bridging thiolates

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Expression, reconstitution, and mutation of recombinant Streptomycescoelicolor NiSOD.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

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S K-edge X-ray absorption spectroscopic investigation of the Ni-containing superoxide dismutase active site: new structural insight into the mechanism

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthesis and oxygenation of a nickel(II) and zinc(II) dithiolate: an experimental and theoretical comparison.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Superoxide dismutases: active sites that save, but a protein that kills

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Transition-metal systems in biochemistry studied by high-accuracy quantum chemical methods

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Nickel Superoxide Dismutase Structure and Mechanism†

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

N-H...S hydrogen bonds in a ferredoxin model

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A Unique Mononuclear Nickel Disulfonato Complex Obtained by Oxidation of a Mononuclear Nickel Dithiolate Complex

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Spectroscopic and computational studies of Ni superoxide dismutase: electronic structure contributions to enzymatic function

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Iron(III) [bond] Salen complexes as enzyme models: mechanistic study of oxo(salen)iron complexes oxygenation of organic sulfides

1 reference

https://pubmed.ncbi.nlm.nih.gov/16724228

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/S00775-006-0109-6

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16724228%20AND%20SRC:MED&resulttype=core&format=json

28 January 2020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16724228%20AND%20SRC:MED&resulttype=core&format=json

28 January 2020

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