Published in Proc Natl Acad Sci U S A on August 30, 2004
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How Does Tyrosinase Work? Recent Insights from Model Chemistry and Structural Biology This work was supported by the Medicine and Science Center of the University of Mainz (H.D.) and the Deutsche Forschungsgemeinschaft (F.T., R.D.). The authors thank M.Möller for help with the graphical artwork. Angew Chem Int Ed Engl (2000) 0.98
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Description of the ground state wave functions of Ni dithiolenes using sulfur K-edge X-ray absorption spectroscopy. J Am Chem Soc (2003) 1.52
VTVH-MCD and DFT studies of thiolate bonding to [FeNO]7/[FeO2]8 complexes of isopenicillin N synthase: substrate determination of oxidase versus oxygenase activity in nonheme Fe enzymes. J Am Chem Soc (2007) 1.50
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X-ray absorption edge spectroscopy and computational studies on LCuO2 species: Superoxide-Cu(II) versus peroxide-Cu(III) bonding. J Am Chem Soc (2006) 1.45
Nature of the peroxo intermediate of the W48F/D84E ribonucleotide reductase variant: implications for O2 activation by binuclear non-heme iron enzymes. J Am Chem Soc (2004) 1.43
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Spectroscopic and quantum chemical characterization of the electronic structure and bonding in a non-heme FeIV[double bond]O complex. J Am Chem Soc (2004) 1.35
Density-functional investigation on the mechanism of H-atom abstraction by lipoxygenase. J Biol Inorg Chem (2002) 1.34
Description of the ground-state covalencies of the bis(dithiolato) transition-metal complexes from X-ray absorption spectroscopy and time-dependent density-functional calculations. Chemistry (2007) 1.30
Nature of the intermediate formed in the reduction of O(2) to H(2)O at the trinuclear copper cluster active site in native laccase. J Am Chem Soc (2002) 1.30
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Sulfur K-edge X-ray absorption spectroscopy as a probe of ligand-metal bond covalency: metal vs ligand oxidation in copper and nickel dithiolene complexes. J Am Chem Soc (2007) 1.29
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Rapid C-H bond activation by a monocopper(III)-hydroxide complex. J Am Chem Soc (2011) 1.27
Normal mode analysis of Pyrococcus furiosus rubredoxin via nuclear resonance vibrational spectroscopy (NRVS) and resonance raman spectroscopy. J Am Chem Soc (2005) 1.26
Cupric superoxo-mediated intermolecular C-H activation chemistry. J Am Chem Soc (2011) 1.26
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. J Am Chem Soc (2007) 1.26
Synthesis, characterization, and reactivities of manganese(V)-oxo porphyrin complexes. J Am Chem Soc (2007) 1.25
Fe L-edge XAS studies of K4[Fe(CN)6] and K3[Fe(CN)6]: a direct probe of back-bonding. J Am Chem Soc (2006) 1.25
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Spectroscopic and DFT investigation of [M{HB(3,5-iPr2pz)3}(SC6F5)] (M = Mn, Fe, Co, Ni, Cu, and Zn) model complexes: periodic trends in metal-thiolate bonding. Inorg Chem (2005) 1.24
Spectroscopic definition of the ferroxidase site in M ferritin: comparison of binuclear substrate vs cofactor active sites. J Am Chem Soc (2008) 1.24
Elucidation of the Fe(IV)=O intermediate in the catalytic cycle of the halogenase SyrB2. Nature (2013) 1.22
Spectroscopic and density functional studies of the red copper site in nitrosocyanin: role of the protein in determining active site geometric and electronic structure. J Am Chem Soc (2005) 1.21
Electronic structure and reactivity of low-spin Fe(III)-hydroperoxo complexes: comparison to activated bleomycin. J Am Chem Soc (2002) 1.21
Preface: biomimetic inorganic chemistry. Chem Rev (2004) 1.20
Geometric and electronic structure and reactivity of a mononuclear "side-on" nickel(III)-peroxo complex. Nat Chem (2009) 1.19
Substrate activation for O2 reactions by oxidized metal centers in biology. Proc Natl Acad Sci U S A (2007) 1.19
Peroxo-type intermediates in class I ribonucleotide reductase and related binuclear non-heme iron enzymes. J Am Chem Soc (2009) 1.19
Comparison between the geometric and electronic structures and reactivities of [FeNO]7 and [FeO2]8 complexes: a density functional theory study. J Am Chem Soc (2004) 1.18
Contrasting copper-dioxygen chemistry arising from alike tridentate alkyltriamine copper(I) complexes. J Am Chem Soc (2002) 1.16
Spectroscopic and electronic structure studies of the trinuclear Cu cluster active site of the multicopper oxidase laccase: nature of its coordination unsaturation. J Am Chem Soc (2005) 1.16
Toluene and ethylbenzene aliphatic C-H bond oxidations initiated by a dicopper(II)-mu-1,2-peroxo complex. J Am Chem Soc (2009) 1.16
Resonance raman investigation of equatorial ligand donor effects on the Cu(2)O(2)(2+) core in end-on and side-on mu-peroxo-dicopper(II) and bis-mu-oxo-dicopper(III) complexes. J Am Chem Soc (2003) 1.16
Variable-temperature, variable-field magnetic circular dichroism studies of tris-hydroxy- and mu3-oxo-bridged trinuclear Cu(II) complexes: evaluation of proposed structures of the native intermediate of the multicopper oxidases. J Am Chem Soc (2005) 1.15
Shall we dance? How a multicopper oxidase chooses its electron transfer partner. Acc Chem Res (2007) 1.14
A functional nitric oxide reductase model. Proc Natl Acad Sci U S A (2008) 1.14
Spectroscopy and electronic structures of mono- and binuclear high-valent non-heme iron-oxo systems. J Inorg Biochem (2006) 1.13
Ferrous binding to the multicopper oxidases Saccharomyces cerevisiae Fet3p and human ceruloplasmin: contributions to ferroxidase activity. J Am Chem Soc (2004) 1.12
Alteration of the oxygen-dependent reactivity of de novo Due Ferri proteins. Nat Chem (2012) 1.11
Spectroscopy and kinetics of wild-type and mutant tyrosine hydroxylase: mechanistic insight into O2 activation. J Am Chem Soc (2009) 1.11
Electronic structure of the peroxy intermediate and its correlation to the native intermediate in the multicopper oxidases: insights into the reductive cleavage of the o-o bond. J Am Chem Soc (2007) 1.10
Spectroscopic and electronic structure studies of 2,3-dihydroxybiphenyl 1,2-dioxygenase: O2 reactivity of the non-heme ferrous site in extradiol dioxygenases. J Am Chem Soc (2003) 1.10
A combined NRVS and DFT study of Fe(IV)=O model complexes: a diagnostic method for the elucidation of non-heme iron enzyme intermediates. Angew Chem Int Ed Engl (2008) 1.10
Structural basis of the ferrous iron specificity of the yeast ferroxidase, Fet3p. Biochemistry (2006) 1.09
How does single oxygen atom addition affect the properties of an Fe-nitrile hydratase analogue? The compensatory role of the unmodified thiolate. J Am Chem Soc (2006) 1.09
Intramolecular single-turnover reaction in a cytochrome C oxidase model bearing a Tyr244 mimic. J Am Chem Soc (2007) 1.09
A combined quantum and molecular mechanical study of the O2 reductive cleavage in the catalytic cycle of multicopper oxidases. Inorg Chem (2005) 1.08
mu-eta2:eta2-peroxodicopper(II) complex with a secondary diamine ligand: a functional model of tyrosinase. J Am Chem Soc (2006) 1.08
Copper-dioxygen adducts and the side-on peroxo dicopper(II)/bis(mu-oxo) dicopper(III) equilibrium: Significant ligand electronic effects. Inorg Chem (2006) 1.07
Activation of N2O reduction by the fully reduced micro4-sulfide bridged tetranuclear Cu Z cluster in nitrous oxide reductase. J Am Chem Soc (2003) 1.07
Fe L- and K-edge XAS of low-spin ferric corrole: bonding and reactivity relative to low-spin ferric porphyrin. Inorg Chem (2009) 1.06
Spectroscopic characterization of soybean lipoxygenase-1 mutants: the role of second coordination sphere residues in the regulation of enzyme activity. Biochemistry (2003) 1.06
Spectroscopic characterization and O2 reactivity of the trinuclear Cu cluster of mutants of the multicopper oxidase Fet3p. Biochemistry (2002) 1.06
Spectroscopy and bonding in side-on and end-on Cu2(S2) cores: comparison to peroxide analogues. J Am Chem Soc (2003) 1.06
Electronic and spectroscopic studies of the non-heme reduced binuclear iron sites of two ribonucleotide reductase variants: comparison to reduced methane monooxygenase and contributions to O2 reactivity. J Am Chem Soc (2004) 1.05
Sulfur K-edge XAS and DFT calculations on nitrile hydratase: geometric and electronic structure of the non-heme iron active site. J Am Chem Soc (2006) 1.05
Metal and ligand K-edge XAS of organotitanium complexes: metal 4p and 3d contributions to pre-edge intensity and their contributions to bonding. J Am Chem Soc (2005) 1.05
Role of aspartate 94 in the decay of the peroxide intermediate in the multicopper oxidase Fet3p. Biochemistry (2005) 1.05
The two oxidized forms of the trinuclear Cu cluster in the multicopper oxidases and mechanism for the decay of the native intermediate. Proc Natl Acad Sci U S A (2007) 1.05
Sulfur K-edge X-ray absorption spectroscopy and density functional theory calculations on superoxide reductase: role of the axial thiolate in reactivity. J Am Chem Soc (2007) 1.04
N2O reduction by the mu4-sulfide-bridged tetranuclear CuZ cluster active site. Angew Chem Int Ed Engl (2004) 1.04
X-ray absorption spectroscopy and density functional theory studies of [(H3buea)FeIII-X]n- (X = S2-, O2-, OH-): comparison of bonding and hydrogen bonding in oxo and sulfido complexes. J Am Chem Soc (2006) 1.04
Spectroscopic and computational studies of an end-on bound superoxo-Cu(II) complex: geometric and electronic factors that determine the ground state. Inorg Chem (2010) 1.04
Spectroscopic and kinetic studies of PKU-inducing mutants of phenylalanine hydroxylase: Arg158Gln and Glu280Lys. J Am Chem Soc (2003) 1.03
Iron L-edge X-ray absorption spectroscopy of oxy-picket fence porphyrin: experimental insight into Fe-O2 bonding. J Am Chem Soc (2013) 1.03
Fe L-edge X-ray absorption spectroscopy of low-spin heme relative to non-heme Fe complexes: delocalization of Fe d-electrons into the porphyrin ligand. J Am Chem Soc (2007) 1.03
Spectroscopic and electronic structure studies of the mu(4)-sulfide bridged tetranuclear Cu(Z) cluster in N(2)O reductase: molecular insight into the catalytic mechanism. J Am Chem Soc (2002) 1.03
Spectroscopic and computational studies of the de novo designed protein DF2t: correlation to the biferrous active site of ribonucleotide reductase and factors that affect O2 reactivity. J Am Chem Soc (2005) 1.03
Copper(I) complex O(2)-reactivity with a N(3)S thioether ligand: a copper-dioxygen adduct including sulfur ligation, ligand oxygenation, and comparisons with all nitrogen ligand analogues. Inorg Chem (2007) 1.03
Spectroscopic and kinetic studies of perturbed trinuclear copper clusters: the role of protons in reductive cleavage of the O-O bond in the multicopper oxidase Fet3p. J Am Chem Soc (2007) 1.02
Spectroscopic demonstration of a large antisymmetric exchange contribution to the spin-frustrated ground state of a D3 symmetric hydroxy-bridged trinuclear Cu(II) complex: ground-to-excited state superexchange pathways. J Am Chem Soc (2004) 1.02
CD and MCD studies of the effects of component B variant binding on the biferrous active site of methane monooxygenase. Biochemistry (2008) 1.01
CD and MCD studies of the non-heme ferrous active site in (4-hydroxyphenyl)pyruvate dioxygenase: correlation between oxygen activation in the extradiol and alpha-KG-dependent dioxygenases. J Am Chem Soc (2004) 1.01
Sulfur K-edge XAS and DFT calculations on P450 model complexes: effects of hydrogen bonding on electronic structure and redox potentials. J Am Chem Soc (2005) 1.01
Heme-copper-dioxygen complexes: toward understanding ligand-environmental effects on the coordination geometry, electronic structure, and reactivity. Inorg Chem (2010) 1.01
Synthesis, structural, and spectroscopic characterization and reactivities of mononuclear cobalt(III)-peroxo complexes. J Am Chem Soc (2010) 1.01
Thermodynamic equilibrium between blue and green copper sites and the role of the protein in controlling function. Proc Natl Acad Sci U S A (2009) 1.01
Rapid-freeze-quench magnetic circular dichroism of intermediate X in ribonucleotide reductase: new structural insight. J Am Chem Soc (2003) 1.00
Transition-metal ions in zeolites: coordination and activation of oxygen. Inorg Chem (2010) 1.00
Spectroscopic and DFT studies of second-sphere variants of the type 1 copper site in azurin: covalent and nonlocal electrostatic contributions to reduction potentials. J Am Chem Soc (2012) 0.99
Nuclear resonance vibrational spectroscopy on the Fe(IV)=O S=2 non-heme site in TMG3tren: experimentally calibrated insights into reactivity. Angew Chem Int Ed Engl (2011) 0.99
S K-edge X-ray absorption spectroscopic investigation of the Ni-containing superoxide dismutase active site: new structural insight into the mechanism. J Am Chem Soc (2004) 0.99
π-Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivity. Proc Natl Acad Sci U S A (2012) 0.99
Definition of the intermediates and mechanism of the anticancer drug bleomycin using nuclear resonance vibrational spectroscopy and related methods. Proc Natl Acad Sci U S A (2010) 0.99
Intermediates involved in the two electron reduction of NO to N2O by a functional synthetic model of heme containing bacterial NO reductase. J Am Chem Soc (2008) 0.99
Spectroscopy of non-heme iron thiolate complexes: insight into the electronic structure of the low-spin active site of nitrile hydratase. Inorg Chem (2005) 0.99
X-ray absorption spectroscopic and theoretical studies on (L)2[Cu2(S2)n]2+ complexes: disulfide versus disulfide(*1-) bonding. J Am Chem Soc (2007) 0.98