Two‐Color Valence‐to‐Core X‐ray Emission Spectroscopy Tracks Cofactor Protonation State in a Class I Ribonucleotide Reductase

[1]  K. Davis,et al.  Model of the Oxygen Evolving Complex Which Is Highly Predisposed to O-O Bond Formation. , 2018, The journal of physical chemistry letters.

[2]  C. Pollock,et al.  Evidence for a Di-μ-oxo Diamond Core in the Mn(IV)/Fe(IV) Activation Intermediate of Ribonucleotide Reductase from Chlamydia trachomatis. , 2017, Journal of the American Chemical Society.

[3]  K. D. Finkelstein,et al.  Dual-array valence emission spectrometer (DAVES): A new approach for hard x-ray photon-in photon-out spectroscopies , 2016 .

[4]  J. Stubbe,et al.  Composition and Structure of the Inorganic Core of Relaxed Intermediate X(Y122F) of Escherichia coli Ribonucleotide Reductase. , 2015, Journal of the American Chemical Society.

[5]  C. Pollock,et al.  Insights into the geometric and electronic structure of transition metal centers from valence-to-core X-ray emission spectroscopy. , 2015, Accounts of chemical research.

[6]  R. Banerjee,et al.  Structure of the key species in the enzymatic oxidation of methane to methanol , 2015, Nature.

[7]  C. Pollock,et al.  Study of Iron Dimers Reveals Angular Dependence of Valence-to-Core X-ray Emission Spectra , 2014, Inorganic chemistry.

[8]  F. Neese,et al.  Kβ Mainline X-ray Emission Spectroscopy as an Experimental Probe of Metal–Ligand Covalency , 2014, Journal of the American Chemical Society.

[9]  D. Sokaras,et al.  Experimental and computational X-ray emission spectroscopy as a direct probe of protonation states in oxo-bridged Mn(IV) dimers relevant to redox-active metalloproteins. , 2013, Inorganic chemistry.

[10]  C. Krebs,et al.  Geometric and electronic structure of the Mn(IV)Fe(III) cofactor in class Ic ribonucleotide reductase: correlation to the class Ia binuclear non-heme iron enzyme. , 2013, Journal of the American Chemical Society.

[11]  Patrick L. Holland,et al.  Experimentally quantifying small-molecule bond activation using valence-to-core X-ray emission spectroscopy. , 2013, Journal of the American Chemical Society.

[12]  S. DeBeer,et al.  Manganese nitride complexes in oxidation states III, IV, and V: synthesis and electronic structure. , 2012, Journal of the American Chemical Society.

[13]  K. Wieghardt,et al.  Bis(imino)pyridine iron dinitrogen compounds revisited: differences in electronic structure between four- and five-coordinate derivatives. , 2012, Inorganic chemistry.

[14]  Frank Neese,et al.  X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor , 2011, Science.

[15]  Frank Neese,et al.  Manganese Kβ X-ray emission spectroscopy as a probe of metal-ligand interactions. , 2011, Inorganic chemistry.

[16]  J. Stubbe,et al.  Class I ribonucleotide reductases: metallocofactor assembly and repair in vitro and in vivo. , 2011, Annual review of biochemistry.

[17]  B. Weckhuysen,et al.  Protonation of the oxygen axial ligand in galactose oxidase model compounds as seen with high resolution X-ray emission experiments and FEFF simulations. , 2011, Physical chemistry chemical physics : PCCP.

[18]  D. Bashford,et al.  Density functional theory analysis of structure, energetics, and spectroscopy for the Mn-Fe active site of Chlamydia trachomatis ribonucleotide reductase in four oxidation states. , 2010, Inorganic chemistry.

[19]  Frank Neese,et al.  Probing valence orbital composition with iron Kbeta X-ray emission spectroscopy. , 2010, Journal of the American Chemical Society.

[20]  Uwe Bergmann,et al.  X-ray emission spectroscopy to study ligand valence orbitals in Mn coordination complexes. , 2009, Journal of the American Chemical Society.

[21]  Uwe Bergmann,et al.  Direct detection of oxygen ligation to the Mn(4)Ca cluster of photosystem II by X-ray emission spectroscopy. , 2009, Angewandte Chemie.

[22]  C. Krebs,et al.  Formation and function of the Manganese(IV)/Iron(III) cofactor in Chlamydia trachomatis ribonucleotide reductase. , 2008, Biochemistry.

[23]  C. Krebs,et al.  Structural 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. , 2008, Journal of the American Chemical Society.

[24]  C. Krebs,et al.  A manganese(IV)/iron(IV) intermediate in assembly of the manganese(IV)/iron(III) cofactor of Chlamydia trachomatis ribonucleotide reductase. , 2007, Biochemistry.

[25]  C. Krebs,et al.  The active form of Chlamydia trachomatis ribonucleotide reductase R2 protein contains a heterodinuclear Mn(IV)/Fe(III) cluster with S = 1 ground state. , 2007, Journal of the American Chemical Society.

[26]  C. Krebs,et al.  A Manganese(IV)/Iron(III) Cofactor in Chlamydia trachomatis Ribonucleotide Reductase , 2007, Science.

[27]  Michelle C. Y. Chang,et al.  Radical initiation in the class I ribonucleotide reductase: long-range proton-coupled electron transfer? , 2003, Chemical reviews.

[28]  J D Lipscomb,et al.  An Fe2IVO2 Diamond Core Structure for the Key Intermediate Q of Methane Monooxygenase , 1997, Science.

[29]  W. H. Armstrong,et al.  High-resolution manganese X-ray fluorescence spectroscopy. Oxidation-state and spin-state sensitivity , 1994 .

[30]  Frank Neese,et al.  The ORCA program system , 2012 .

[31]  Uwe Bergmann,et al.  High resolution 1s core hole X-ray spectroscopy in 3d transition metal complexes—electronic and structural information , 2005 .