Geometric and electronic structure contributions to function in non-heme iron enzymes.
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Excited state potential energy surfaces and their interactions in Fe(IV)=O active sitesThe rate-limiting step of O2 activation in the α-ketoglutarate oxygenase factor inhibiting hypoxia inducible factor.Enzyme Substrate Complex of the H200C Variant of Homoprotocatechuate 2,3-Dioxygenase: Mössbauer and Computational Studies.Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction ReactivityMono- and binuclear non-heme iron chemistry from a theoretical perspective.Protein effects in non-heme iron enzyme catalysis: insights from multiscale models.Structure/function correlations over binuclear non-heme iron active sitesSpectroscopic analyses of 2-oxoglutarate-dependent oxygenases: TauD as a case study.The facial triad in the α-ketoglutarate dependent oxygenase FIH: A role for sterics in linking substrate binding to O2 activation.Nuclear Resonance Vibrational Spectroscopic Definition of Peroxy Intermediates in Nonheme Iron Sites.Activation of Dioxygen by Iron and Manganese Complexes: A Heme and Nonheme Perspective.Rate-Determining Attack on Substrate Precedes Rieske Cluster Oxidation during Cis-Dihydroxylation by Benzoate DioxygenaseO2 Activation by Non-Heme Iron Enzymes.Multi-scale modeling of electronic spectra of three aromatic amino acids: importance of conformational averaging and explicit solute-solvent interactions.How Are Substrate Binding and Catalysis Affected by Mutating Glu127 and Arg161 in Prolyl-4-hydroxylase? A QM/MM and MD Study.Spectroscopic and Reactivity Comparisons of a Pair of bTAML Complexes with FeV═O and FeIV═O Units.In-crystal reaction cycle of a toluene-bound diiron hydroxylase.Ethane C-H bond activation on the Fe(iv)-oxo species in a Zn-based cluster of metal-organic frameworks: a density functional theory study.Controlled ligand distortion and its consequences for structure, symmetry, conformation and spin-state preferences of iron(II) complexes.Demonstration of the heterolytic O-O bond cleavage of putative nonheme iron(II)-OOH(R) complexes for Fenton and enzymatic reactions.Assembly of a mononuclear ferrous site using a bulky aldehyde-imidazole ligand.Detection of Indistinct Fe-N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy.Spin-State-Controlled Photodissociation of Iron(III) Azide to an Iron(V) Nitride Complex.A mononuclear manganese(iii)-hydroperoxo complex: synthesis by activating dioxygen and reactivity in electrophilic and nucleophilic reactions.An Efficient Iron(III)-Catalyzed Aerobic Oxidation of Aldehydes in Water for the Green Preparation of Carboxylic Acids.Resolving Electronic Transitions in Synthetic Fluorescent Protein Chromophores by Magnetic Circular Dichroism.Exchangeable proton ENDOR as a probe of the redox-active iron center in activated bleomycin and ferric bleomycin.Evidence that oxidative dephosphorylation by the nonheme Fe(II), α-ketoglutarate:UMP oxygenase occurs by stereospecific hydroxylation.NRVS Studies of the Peroxide Shunt Intermediate in a Rieske Dioxygenase and Its Relation to the Native FeII O2 Reaction.
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P2860
Geometric and electronic structure contributions to function in non-heme iron enzymes.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
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artigo científico
@pt
bilimsel makale
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scientific article published on 26 September 2013
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Geometric and electronic structure contributions to function in non-heme iron enzymes.
@en
Geometric and electronic structure contributions to function in non-heme iron enzymes.
@nl
type
label
Geometric and electronic structure contributions to function in non-heme iron enzymes.
@en
Geometric and electronic structure contributions to function in non-heme iron enzymes.
@nl
prefLabel
Geometric and electronic structure contributions to function in non-heme iron enzymes.
@en
Geometric and electronic structure contributions to function in non-heme iron enzymes.
@nl
P2093
P2860
P356
P1476
Geometric and electronic structure contributions to function in non-heme iron enzymes.
@en
P2093
Kenneth M Light
Martin Srnec
Shaun D Wong
P2860
P304
P356
10.1021/AR400149M
P577
2013-09-26T00:00:00Z