(Q54437837)

29 May 2018

title

Density functional theory studies of model complexes for molybdenum-dependent nitrate reductase active sites. (English)

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29 May 2018

density functional theory

main subject

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Matthias Hofmann

1

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29 May 2018

publication date

17 July 2007

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29 May 2018

Journal of Biological Inorganic Chemistry

published in

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29 May 2018

volume

12

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29 May 2018

issue

7

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29 May 2018

page(s)

989-1001

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29 May 2018

Synthesis and structures of bis(dithiolene)molybdenum complexes related to the active sites of the DMSO reductase enzyme family

cites work

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12 December 2020

Mechanism of nitrate reduction by Desulfovibrio desulfuricans nitrate reductase--a theoretical investigation

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Electronic structure of bent titanocene complexes with chelated dithiolate ligands

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12 December 2020

Nitrate reduction and the nitrogen cycle in archaea

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Crystal structure of DMSO reductase: redox-linked changes in molybdopterin coordination

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12 December 2020

Reaction systems related to dissimilatory nitrate reductase: nitrate reduction mediated by bis(dithiolene)tungsten complexes

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12 December 2020

The theoretical transition state structure of a model complex bears a striking resemblance to the active site structure of DMSO reductase

1 reference

12 December 2020

Enzymatic and physiological properties of the tungsten-substituted molybdenum TMAO reductase from Escherichia coli

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12 December 2020

Insights into the respiratory electron transfer pathway from the structure of nitrate reductase A

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12 December 2020

Architecture of NarGH reveals a structural classification of Mo-bisMGD enzymes

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12 December 2020

Re-design of Rhodobacter sphaeroides dimethyl sulfoxide reductase. Enhancement of adenosine N1-oxide reductase activity

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12 December 2020

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

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12 December 2020

Tungsten-substituted molybdenum enzymes

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12 December 2020

Trigonal prismatic or not trigonal prismatic? On the mechanisms of oxygen-atom transfer in molybdopterin-based enzymes

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12 December 2020

Structural and redox plasticity in the heterodimeric periplasmic nitrate reductase

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12 December 2020

"Non-VSEPR" Structures and Bonding in d(0) Systems

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12 December 2020

Geometrical control of the active site electronic structure of pyranopterin enzymes by metal-dithiolate folding: aldehyde oxidase

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12 December 2020

Synthetic analogues and reaction systems relevant to the molybdenum and tungsten oxotransferases

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12 December 2020

Evolution of nitrate reductase: molecular and structural variations on a common function

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12 December 2020

Molybdenum in nitrate reductase and nitrite oxidoreductase

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12 December 2020

Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.

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12 December 2020

Chemistry of [Et4N][MoIV(SPh)(PPh3)(mnt)2] as an Analogue of Dissimilatory Nitrate Reductase with Its Inactivation on Substitution of Thiolate by Chloride

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12 December 2020

Mo and W bis-MGD enzymes: nitrate reductases and formate dehydrogenases.

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12 December 2020

A density functional study of oxygen atom transfer reactions between biological oxygen atom donors and molybdenum(IV) bis(dithiolene) complexes

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12 December 2020

Structural basis of eukaryotic nitrate reduction: crystal structures of the nitrate reductase active site

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12 December 2020

Computer Modeling of the Oxygen-atom Transfer Reaction between Hydrogen Sulfite and a Molybdenum(VI) Dioxo Complex

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12 December 2020

The Mononuclear Molybdenum Enzymes.

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12 December 2020

Mutagenesis study on amino acids around the molybdenum centre of the periplasmic nitrate reductase from Ralstonia eutropha

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12 December 2020

Molybdenum enzymes and sulfur metabolism

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12 December 2020

Crystal structure of the first dissimilatory nitrate reductase at 1.9 A solved by MAD methods

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12 December 2020

Effect of tungstate on nitrate reduction by the hyperthermophilic archaeon pyrobaculum aerophilum

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12 December 2020

Dimethylsulfoxide reductase: an enzyme capable of catalysis with either molybdenum or tungsten at the active site

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12 December 2020

10.1007/S00775-007-0271-5

Identifiers

DOI

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29 May 2018

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29 May 2018