Dioxygen activation in methane monooxygenase: a theoretical study.
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Dioxygen Activation at Non-Heme Diiron Centers: Oxidation of a Proximal Residue in the I100W Variant of Toluene/ o -Xylene Monooxygenase Hydroxylase †Integrated Modeling Program, Applied Chemical Theory (IMPACT)Enzymatic oxidation of methaneA transition path ensemble study reveals a linchpin role for Mg(2+) during rate-limiting ADP release from protein kinase A.Revisiting the mechanism of dioxygen activation in soluble methane monooxygenase from M. capsulatus (Bath): evidence for a multi-step, proton-dependent reaction pathway.Ab initio quantum chemistry: methodology and applicationsIntermediates in the oxygenation of a nonheme diiron(II) complex, including the first evidence for a bound superoxo speciesOxidation reactions performed by soluble methane monooxygenase hydroxylase intermediates H(peroxo) and Q proceed by distinct mechanismsA 2.8 Å Fe-Fe separation in the Fe2(III/IV) intermediate, X, from Escherichia coli ribonucleotide reductaseDioxygen activation in soluble methane monooxygenaseInsights into the different dioxygen activation pathways of methane and toluene monooxygenase hydroxylasesO(2)-evolving chlorite dismutase as a tool for studying O(2)-utilizing enzymes.Evidence for modified mechanisms of chloroethene oxidation in Pseudomonas butanovora mutants containing single amino acid substitutions in the hydroxylase alpha-subunit of butane monooxygenase.The Q, Compound Q is Finally DecipheredProtonation of a peroxodiiron(III) complex and conversion to a diiron(III/IV) intermediate: implications for proton-assisted O-O bond cleavage in nonheme diiron enzymes.Iron complexes of dendrimer-appended carboxylates for activating dioxygen and oxidizing hydrocarbons.Intermediates in dioxygen activation by methane monooxygenase: a QM/MM study.Free energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methodsStructural analysis of the Mn(IV)/Fe(III) cofactor of Chlamydia trachomatis ribonucleotide reductase by extended X-ray absorption fine structure spectroscopy and density functional theory calculations.Geometrical properties of the manganese(iv)/iron(iii) cofactor of Chlamydia trachomatis ribonucleotide reductase unveiled by simulations of XAS spectra.Structural Model Studies for the High-Valent Intermediate Q of Methane Monooxygenase from Broken-Symmetry Density Functional Calculations.Protein effects in non-heme iron enzyme catalysis: insights from multiscale models.Enhancement of C-H Oxidizing Ability in Co-O2 Complexes through an Isolated Heterobimetallic Oxo Intermediate.Successful application of the DBLOC method to the hydroxylation of camphor by cytochrome p450.Mechanistic insights into the reductive dehydroxylation pathway for the biosynthesis of isoprenoids promoted by the IspH enzyme.Characterization of the arene-oxidizing intermediate in ToMOH as a diiron(III) species.Spectroscopic and electronic structure studies of intermediate X in ribonucleotide reductase R2 and two variants: a description of the FeIV-oxo bond in the FeIII-O-FeIV dimer.The prediction of Fe Mössbauer parameters by the density functional theory: a benchmark study.Intermediate P* from soluble methane monooxygenase contains a diferrous cluster.Visualising the carboxylate shift at a bioinspired diiron(II) site in the solid state.Crystal structure of the toluene/o-xylene monooxygenase hydroxylase from Pseudomonas stutzeri OX1. Insight into the substrate specificity, substrate channeling, and active site tuning of multicomponent monooxygenases.Insights into the P-to-Q conversion in the catalytic cycle of methane monooxygenase from a synthetic model system.In-crystal reaction cycle of a toluene-bound diiron hydroxylase.A radical rebound mechanism for the methane oxidation reaction promoted by the dicopper center of a pMMO enzyme: a computational perspective.Dioxygen Activation by Nonheme Diiron Enzymes: Diverse Dioxygen Adducts, High-Valent Intermediates, and Related Model Complexes.An abiotic analogue of the diiron(IV)oxo "diamond core" of soluble methane monooxygenase generated by direct activation of O2 in aqueous Fe(II)/EDTA solutions: thermodynamics and electronic structure.Enzymatic “tricks”: Carboxylate shift and sulfur shift
P2860
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P2860
Dioxygen activation in methane monooxygenase: a theoretical study.
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2004 nî lūn-bûn
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2004年の論文
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2004年学术文章
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2004年学术文章
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name
Dioxygen activation in methane monooxygenase: a theoretical study.
@en
Dioxygen activation in methane monooxygenase: a theoretical study.
@nl
type
label
Dioxygen activation in methane monooxygenase: a theoretical study.
@en
Dioxygen activation in methane monooxygenase: a theoretical study.
@nl
prefLabel
Dioxygen activation in methane monooxygenase: a theoretical study.
@en
Dioxygen activation in methane monooxygenase: a theoretical study.
@nl
P2093
P356
P1476
Dioxygen activation in methane monooxygenase: a theoretical study.
@en
P2093
Benjamin F Gherman
Richard A Friesner
Stephen J Lippard
P304
P356
10.1021/JA036506+
P407
P50
P577
2004-03-01T00:00:00Z