Published in J Am Chem Soc on January 10, 2013
L-Edge X-ray Absorption Spectroscopy of Dilute Systems Relevant to Metalloproteins Using an X-ray Free-Electron Laser. J Phys Chem Lett (2013) 0.89
Resonant inelastic X-ray scattering on ferrous and ferric bis-imidazole porphyrin and cytochrome c: nature and role of the axial methionine-Fe bond. J Am Chem Soc (2014) 0.84
Renormalization of myoglobin-ligand binding energetics by quantum many-body effects. Proc Natl Acad Sci U S A (2014) 0.82
Final-State Projection Method in Charge-Transfer Multiplet Calculations: An Analysis of Ti L-Edge Absorption Spectra. J Phys Chem B (2015) 0.80
X-ray absorption spectroscopic investigation of the electronic structure differences in solution and crystalline oxyhemoglobin. Proc Natl Acad Sci U S A (2013) 0.79
Discovery of the magnetic behavior of hemoglobin: A beginning of bioinorganic chemistry. Proc Natl Acad Sci U S A (2015) 0.78
Correlated ligand dynamics in oxyiron picket fence porphyrins: structural and Mössbauer investigations. J Am Chem Soc (2013) 0.78
NO binding kinetics in myoglobin investigated by picosecond Fe K-edge absorption spectroscopy. Proc Natl Acad Sci U S A (2015) 0.76
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Electronic structure and ligand vibrations in FeNO, CoNO, and FeOO porphyrin adducts. Inorg Chem (2013) 0.75
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L-Edge X-ray Absorption Spectroscopic Investigation of {FeNO}(6): Delocalization vs Antiferromagnetic Coupling. J Am Chem Soc (2017) 0.75
Spectroscopic studies of the cytochrome P450 reaction mechanisms. Biochim Biophys Acta (2017) 0.75
The McClure and Weiss models of Fe-O2 bonding for oxyhemes, and the HbO2 + NO reaction. J Biol Inorg Chem (2013) 0.75
K- and L-edge X-ray Absorption Spectroscopy (XAS) and Resonant Inelastic X-ray Scattering (RIXS) Determination of Differential Orbital Covalency (DOC) of Transition Metal Sites. Coord Chem Rev (2017) 0.75
The secondary coordination sphere and axial ligand effects on oxygen reduction reaction by iron porphyrins: a DFT computational study. J Biol Inorg Chem (2016) 0.75
Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers. Struct Dyn (2017) 0.75
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Oxygen activation by the noncoupled binuclear copper site in peptidylglycine alpha-hydroxylating monooxygenase. Reaction mechanism and role of the noncoupled nature of the active site. J Am Chem Soc (2004) 2.01
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Spectroscopic and quantum chemical studies on low-spin FeIV=O complexes: Fe-O bonding and its contributions to reactivity. J Am Chem Soc (2007) 1.74
FeMo cofactor maturation on NifEN. Proc Natl Acad Sci U S A (2006) 1.73
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A [Cu2O]2+ core in Cu-ZSM-5, the active site in the oxidation of methane to methanol. Proc Natl Acad Sci U S A (2009) 1.62
Nitrogenase Fe protein: A molybdate/homocitrate insertase. Proc Natl Acad Sci U S A (2006) 1.60
Spectroscopic and electronic structure studies of the diamagnetic side-on CuII-superoxo complex Cu(O2)[HB(3-R-5-iPrpz)3]: antiferromagnetic coupling versus covalent delocalization. J Am Chem Soc (2003) 1.56
A 1:1 copper-dioxygen adduct is an end-on bound superoxo copper(II) complex which undergoes oxygenation reactions with phenols. J Am Chem Soc (2007) 1.54
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
Crystal structure of TM1367 from Thermotoga maritima at 1.90 A resolution reveals an atypical member of the cyclophilin (peptidylprolyl isomerase) fold. Proteins (2006) 1.51
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
Mechanism of N2O reduction by the mu4-S tetranuclear CuZ cluster of nitrous oxide reductase. J Am Chem Soc (2006) 1.46
O2 activation by binuclear Cu sites: noncoupled versus exchange coupled reaction mechanisms. Proc Natl Acad Sci U S A (2004) 1.46
Dioxygen activation by copper, heme and non-heme iron enzymes: comparison of electronic structures and reactivities. Curr Opin Chem Biol (2005) 1.46
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
Crystal structure of thy1, a thymidylate synthase complementing protein from Thermotoga maritima at 2.25 A resolution. Proteins (2002) 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
CD and MCD of CytC3 and taurine dioxygenase: role of the facial triad in alpha-KG-dependent oxygenases. J Am Chem Soc (2007) 1.41
Structure and reactivity of a mononuclear non-haem iron(III)-peroxo complex. Nature (2011) 1.40
L-edge X-ray absorption spectroscopy of non-heme iron sites: experimental determination of differential orbital covalency. J Am Chem Soc (2003) 1.39
Photoreduction of the active site of the metalloprotein putidaredoxin by synchrotron radiation. Acta Crystallogr D Biol Crystallogr (2007) 1.37
Oxygen activation by the noncoupled binuclear copper site in peptidylglycine alpha-hydroxylating monooxygenase. Spectroscopic definition of the resting sites and the putative CuIIM-OOH intermediate. Biochemistry (2004) 1.36
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
Characterization of isolated nitrogenase FeVco. J Am Chem Soc (2010) 1.29
Comparison of iron-molybdenum cofactor-deficient nitrogenase MoFe proteins by X-ray absorption spectroscopy: implications for P-cluster biosynthesis. J Biol Chem (2004) 1.29
Direct hydrogen-atom abstraction by activated bleomycin: an experimental and computational study. J Am Chem Soc (2006) 1.29
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
Structure of the γ-D-glutamyl-L-diamino acid endopeptidase YkfC from Bacillus cereus in complex with L-Ala-γ-D-Glu: insights into substrate recognition by NlpC/P60 cysteine peptidases. Acta Crystallogr Sect F Struct Biol Cryst Commun (2010) 1.28
Structure-function correlations in oxygen activating non-heme iron enzymes. Chem Commun (Camb) (2005) 1.28
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
Dioxygen activation at a single copper site: structure, bonding, and mechanism of formation of 1:1 Cu-O2 adducts. J Am Chem Soc (2004) 1.24
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
Structural basis of murein peptide specificity of a gamma-D-glutamyl-l-diamino acid endopeptidase. Structure (2009) 1.23
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
Optimization of FeMoco maturation on NifEN. J Am Chem Soc (2009) 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
Crystal structure of a PIN (PilT N-terminus) domain (AF0591) from Archaeoglobus fulgidus at 1.90 A resolution. Proteins (2004) 1.17
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
A functional nitric oxide reductase model. Proc Natl Acad Sci U S A (2008) 1.14
Shall we dance? How a multicopper oxidase chooses its electron transfer partner. Acc Chem Res (2007) 1.14
Crystal structure of the Fic (Filamentation induced by cAMP) family protein SO4266 (gi|24375750) from Shewanella oneidensis MR-1 at 1.6 A resolution. Proteins (2009) 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