Hodgson, Keith

Publication with MATCHING institution:

He C, DuBois JL, Hedman B, ..., Lippard SJ (2001) A Short Copper-Copper Distance in a (μ-1,2-Peroxo)dicopper(II) Complex
Having a 1,8-Naphthyridine Unit as an Additional Bridge. Angewandte Chemie - International Edition. [IF=2.456, Cited=2, 29712360].
Jeong D, Yan JJ, Noh H, ..., Cho J (2018) Oxidation of Naphthalene with a Manganese(IV) Bis(hydroxo) Complex in the
Presence of Acid. Angewandte Chemie - International Edition. [IF=2.456, Cited=1, 29701293].
Jasniewski AJ, Wilcoxen J, Tanifuji K, ..., Ribbe MW (2019) Spectroscopic Characterization of an Eight-Iron Nitrogenase
Cofactor Precursor that Lacks the "9^th Sulfur". Angewandte Chemie - International Edition. [IF=2.456,
Cited=15, 31411369].
Solomon JB, Tanifuji K, Lee CC, ..., Ribbe MW (2022) Characterization of a Nitrogenase Iron Protein Substituted with a
Synthetic [Fe₄ Se₄ ] Cluster. Angewandte Chemie - International Edition. [IF=2.456, Cited=4, 35218104].
Tanifuji K, Jasniewski AJ, Lee CC, ..., Ribbe MW (2022) Incorporation of an Asymmetric Mo-Fe-S Cluster as an Artificial
Cofactor into Nitrogenase. ChemBioChem. [IF=0.691, Cited=1, 35925843].
Baker ML, Mara MW, Yan JJ, ..., Solomon EI (2017) 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.
Coordination Chemistry Reviews. [IF=3.39, Cited=44, 28970624].
Frank P, Hedman B, Hodgson K (2013) XAS spectroscopy, sulfur, and the brew within blood cells from Ascidia ceratodes.
Journal of Inorganic Biochemistry. [IF=0.935, Cited=6, 24333825].
Frank P, Carlson RMK, Carlson EJ, ..., Hodgson K (2020) Biological sulfur in the blood cells of Ascidia ceratodes: XAS
spectroscopy and a cellular-enzymatic hypothesis for vanadium reduction in the ascidians. Journal of Inorganic
Biochemistry. [IF=0.935, Cited=0, 31945647].
Ha Y, Dille SA, Braun A, ..., Solomon EI (2022) S K-edge XAS of Cu^II, Cu^I, and Zn^II
oxidized Dithiolene complexes: Covalent contributions to structure and the Jahn-Teller effect. Journal of Inorganic
Biochemistry. [IF=0.935, Cited=0, 35202982].
Liu YA, Quechol R, Solomon JB, ..., Hodgson K (2022) Radical SAM-dependent formation of a nitrogenase cofactor core on
NifB. Journal of Inorganic Biochemistry. [IF=0.935, Cited=2, 35550498].
Ha Y, Hu H, Higgins K, ..., Solomon E (2019) The Electronic Structure of the Metal Active Site Determines the Geometric
Structure and Function of the Metalloregulator NikR. Biochemistry. [IF=0.753, Cited=1, 31339709].
Lim H, Baker ML, Cowley RE, ..., Solomon EI (2020) Kβ X-ray Emission Spectroscopy as a Probe of Cu(I) Sites: Application
to the Cu(I) Site in Preprocessed Galactose Oxidase. Inorganic Chemistry. [IF=0.986, Cited=6, 33136386].
Arcos-López T, Qayyum M, Rivillas-Acevedo L, ..., Quintanar L (2016) Spectroscopic and Theoretical Study of Cu(I)
Binding to His111 in the Human Prion Protein Fragment 106-115. Inorganic Chemistry. [IF=0.986, Cited=4, 26930130].
Frank P, Szilagyi RK, Gramlich V, ..., Hodgson K (2017) Spin-Polarization-Induced Preedge Transitions in the Sulfur
K-Edge XAS Spectra of Open-Shell Transition-Metal Sulfates: Spectroscopic Validation of σ-Bond Electron Transfer.
Inorganic Chemistry. [IF=0.986, Cited=0, 28068071].
Lim H, Thomas KE, Hedman B, ..., Solomon EI (2019) X-ray Absorption Spectroscopy as a Probe of Ligand Noninnocence in
Metallocorroles: The Case of Copper Corroles. Inorganic Chemistry. [IF=0.986, Cited=16, 31046257].
Glaser T, Hedman B, Hodgson KO, ..., Solomon EI (2000) Ligand K-edge X-ray absorption spectroscopy: a direct probe of
ligand-metal covalency. Accounts of Chemical Research. [IF=3.533, Cited=96, 11123885].
Wasinger EC, Mitić N, Hedman B, ..., Hodgson KO (2002) X-ray absorption spectroscopic investigation of the resting
ferrous and cosubstrate-bound active sites of phenylalanine hydroxylase. Biochemistry. [IF=0.753, Cited=14, 12009881].
Kjaergaard CH, Qayyum MF, Augustine AJ, ..., Solomon EI (2013) Modified reactivity toward O2 in first shell variants of
Fet3p: geometric and electronic structure requirements for a functioning trinuclear copper cluster. Biochemistry.
[IF=0.753, Cited=3, 23631422].
Corbett MC, Hu Y, Fay AW, ..., Hedman B (2007) Conformational differences between Azotobacter vinelandii nitrogenase
MoFe proteins as studied by small-angle X-ray scattering. Biochemistry. [IF=0.753, Cited=10, 17567155].
Augustine AJ, Kragh ME, Sarangi R, ..., Solomon EI (2008) Spectroscopic studies of perturbed T1 Cu sites in the
multicopper oxidases Saccharomyces cerevisiae Fet3p and Rhus vernicifera laccase: allosteric coupling between the T1 and
trinuclear Cu sites. Biochemistry. [IF=0.753, Cited=27, 18197705].
Bell CB, Calhoun JR, Bobyr E, ..., Solomon EI (2009) Spectroscopic definition of the biferrous and biferric sites in de
novo designed four-helix bundle DFsc peptides: implications for O2 reactivity of binuclear non-heme iron enzymes.
Biochemistry. [IF=0.753, Cited=15, 19090676].
Ryan DE, Grant KB, Nakanishi K, ..., Hodgson K (1996) Reactions between vanadium ions and biogenic reductants of
tunicates: spectroscopic probing for complexation and redox products in vitro. Biochemistry. [IF=0.753, Cited=12, 8679627].
Machonkin TE, Zhang HH, Hedman B, ..., Solomon EI (1998) Spectroscopic and magnetic studies of human ceruloplasmin:
identification of a redox-inactive reduced Type 1 copper site. Biochemistry. [IF=0.753, Cited=32, 9649340].
Segel DJ, Fink AL, Hodgson K, Doniach S (1998) Protein denaturation: a small-angle X-ray scattering study of the
ensemble of unfolded states of cytochrome c. Biochemistry. [IF=0.753, Cited=72, 9730816].
Machonkin TE, Musci G, Zhang HH, ..., Solomon EI (1999) Investigation of the anomalous spectroscopic features of the
copper sites in chicken ceruloplasmin: comparison to human ceruloplasmin. Biochemistry. [IF=0.753, Cited=2, 10460165].
Segel DJ, Eliezer D, Uversky V, ..., Doniach S (1999) Transient dimer in the refolding kinetics of cytochrome c
characterized by small-angle X-ray scattering. Biochemistry. [IF=0.753, Cited=37, 10563821].
Ribbe MW, Hu Y, Hodgson K, Hedman B (2013) Biosynthesis of nitrogenase metalloclusters. Chemical Reviews. [IF=11.712,
Cited=55, 24328215].
Frank P, Hodgson K (2000) Defining chemical species in complex environments using K-edge X-ray absorption spectroscopy:
vanadium in intact blood cells and Henze solution from the tunicate Ascidia ceratodes. Inorganic Chemistry. [IF=0.986,
Cited=12, 11151502].
Musgrave KB, Lim BS, Sung KM, ..., Hodgson K (2000) X-ray spectroscopy of enzyme active site analogues and related
molecules: bis(dithiolene)molybdenum(IV) and -tungsten(IV,VI) complexes with variant terminal ligands. Inorganic
Chemistry. [IF=0.986, Cited=2, 11154582].
Hirsch J, DeBeer George S, Solomon EI, ..., Burstyn JN (2001) Raman and extended X-ray absorption fine structure
characterization of a sulfur-ligated Cu(I) ethylene complex: modeling the proposed ethylene binding site of Arabidopsis
thaliana ETR1. Inorganic Chemistry. [IF=0.986, Cited=6, 11327928].
Mizoguchi TJ, Kuzelka J, Spingler B, ..., Lippard SJ (2001) Synthesis and spectroscopic studies of non-heme diiron(III)
species with a terminal hydroperoxide ligand: models for hemerythrin. Inorganic Chemistry. [IF=0.986, Cited=9, 11511213].
Lee D, DuBois JL, Pierce B, ..., Lippard SJ (2002) Structural and spectroscopic studies of valence-delocalized
diiron(II,III) complexes dupported by carboxylate-only bridging ligands. Inorganic Chemistry. [IF=0.986, Cited=9, 12054996].
Frank P, Ghosh P, Hodgson K, Taube H (2002) Cooperative ligation, back-bonding, and possible pyridine-pyridine
interactions in tetrapyridine-vanadium(II): a visible and X-ray spectroscopic study. Inorganic Chemistry. [IF=0.986,
Cited=2, 12055006].
Wasinger EC, Davis MI, Pau MYM, ..., Solomon EI (2003) Spectroscopic studies of the effect of ligand donor strength on
the Fe-NO bond intradiol dioxygenases. Inorganic Chemistry. [IF=0.986, Cited=9, 12693216].
Jalilehvand F, Lim BS, Holm RH, ..., Hodgson KO (2003) X-ray absorption spectroscopy of a structural analogue of the
oxidized active sites in the sulfite oxidase enzyme family and related molybdenum(V) complexes. Inorganic Chemistry.
[IF=0.986, Cited=3, 12950200].
Szilagyi RK, Frank P, DeBeer George S, ..., Hodgson K (2004) High covalence in CuSO4 and the radicalization of sulfate:
an X-ray absorption and density functional study. Inorganic Chemistry. [IF=0.986, Cited=2, 15606178].
Frank P, Benfatto M, Szilagyi RK, ..., Hodgson K (2005) The solution structure of [Cu(aq)]2+ and its implications for
rack-induced bonding in blue copper protein active sites. Inorganic Chemistry. [IF=0.986, Cited=36, 15762718].
Rudd DJ, Goldsmith CR, Cole AP, ..., Hedman B (2005) X-ray absorption spectroscopic investigation of the spin-transition
character in a series of single-site perturbed iron(II) complexes. Inorganic Chemistry. [IF=0.986, Cited=14, 15732962].
Rudd DJ, Sazinsky MH, Lippard SJ, ..., Hodgson KO (2005) X-ray absorption spectroscopic study of the reduced
hydroxylases of methane monooxygenase and toluene/o-xylene monooxygenase: differences in active site structure and
effects of the coupling proteins MMOB and ToMOD. Inorganic Chemistry. [IF=0.986, Cited=8, 15962961].
Rudd DJ, Sazinsky MH, Merkx M, ..., Hodgson KO (2004) Determination by X-ray absorption spectroscopy of the Fe-Fe
separation in the oxidized form of the hydroxylase of methane monooxygenase alone and in the presence of MMOD. Inorganic
Chemistry. [IF=0.986, Cited=14, 15257585].
Gorelsky SI, Basumallick L, Vura-Weis J, ..., Solomon EI (2005) 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.
Inorganic Chemistry. [IF=0.986, Cited=69, 15998022].
Sarangi R, Benfatto M, Hayakawa K, ..., Hedman B (2005) MXAN analysis of the XANES energy region of a mononuclear copper
complex: applications to bioinorganic systems. Inorganic Chemistry. [IF=0.986, Cited=10, 16363833].
Dey A, Roche CL, Walters MA, ..., Solomon EI (2005) Sulfur K-edge XAS and DFT calculations on [Fe4S4]2+ clusters:
effects of H-bonding and structural distortion on covalency and spin topology. Inorganic Chemistry. [IF=0.986,
Cited=18, 16270973].
Frank P, DeTomaso A, Hedman B, Hodgson K (2006) A new structural motif for biological iron: iron K-edge XAS reveals a
[Fe4-mu-(OR)5(OR)(9-10)] cluster in the ascidian Perophora annectens. Inorganic Chemistry. [IF=0.986, Cited=3, 16676950].
Frank P, George SD, Anxolabéhère-Mallart E, ..., Hodgson K (2006) A systematic resolution of sulfur in reticulated
vitreous carbon using X-ray absorption spectroscopy. Inorganic Chemistry. [IF=0.986, Cited=5, 17112284].
Hatcher LQ, Lee DH, Vance MA, ..., Karlin KD (2006) Dioxygen reactivity of a copper(I) complex with a N3S thioether
chelate; peroxo-dicopper(II) formation including sulfur-ligation. Inorganic Chemistry. [IF=0.986, Cited=16, 17140210].
Dey A, Jeffrey SP, Darensbourg M, ..., Solomon EI (2007) Sulfur K-edge XAS and DFT studies on NiII complexes with
oxidized thiolate ligands: implications for the roles of oxidized thiolates in the active sites of Fe and Co nitrile
hydratase. Inorganic Chemistry. [IF=0.986, Cited=10, 17500514].
Sun N, Liu LV, Dey A, ..., Solomon EI (2010) S K-edge X-ray absorption spectroscopy and density functional theory
studies of high and low spin {FeNO}7 thiolate complexes: exchange stabilization of electron delocalization in {FeNO}7
and {FeO2}8. Inorganic Chemistry. [IF=0.986, Cited=14, 21158471].
Kang P, Bobyr E, Dustman J, ..., Stack TDP (2010) Bis(μ-oxo) dicopper(III) species of the simplest peralkylated diamine:
enhanced reactivity toward exogenous substrates. Inorganic Chemistry. [IF=0.986, Cited=23, 21028910].
Blank MA, Lee CC, Hu Y, ..., Ribbe MW (2011) Structural models of the [Fe4S4] clusters of homologous nitrogenase Fe
proteins. Inorganic Chemistry. [IF=0.986, Cited=17, 21718019].
O'Halloran KP, Zhao C, Ando NS, ..., Hill CL (2012) Revisiting the polyoxometalate-based late-transition-metal-oxo
complexes: the "oxo wall" stands. Inorganic Chemistry. [IF=0.986, Cited=21, 22694272].
Frank P, Benfatto M, Hedman B, Hodgson K (2012) The X-ray absorption spectroscopic model of the copper(II) imidazole
complex ion in liquid aqueous solution: a strongly solvated square pyramid. Inorganic Chemistry. [IF=0.986, Cited=14, 22316238].
Tenderholt AL, Hodgson K, Hodgson KO, ..., Solomon EI (2012) Substrate and metal control of barrier heights for oxo
transfer to Mo and W bis-dithiolene sites. Inorganic Chemistry. [IF=0.986, Cited=9, 22372518].
Lee DH, Hatcher LQ, Vance MA, ..., Karlin KD (2007) 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. Inorganic Chemistry. [IF=0.986, Cited=25, 17580938].
Dey A, Green KN, Jenkins RM, ..., Solomon EI (2007) S K-edge XAS and DFT calculations on square-planar NiII-thiolate
complexes: effects of active and passive H-bonding. Inorganic Chemistry. [IF=0.986, Cited=5, 17949080].
Frank P, Benfatto M, Hedman B, Hodgson K (2008) Solution [Cu(amm)]2+ is a strongly solvated square pyramid: a full
account of the copper K-edge XAS spectrum within single-electron theory. Inorganic Chemistry. [IF=0.986, Cited=16, 18426203].
Tenderholt AL, Szilagyi RK, Holm RH, ..., Solomon EI (2008) Electronic control of the "Bailar twist" in formally d0-d2
molybdenum tris(dithiolene) complexes: a sulfur K-edge X-ray absorption spectroscopy and density functional theory
study. Inorganic Chemistry. [IF=0.986, Cited=17, 18517189].
Sarangi R, Hocking RK, Neidig ML, ..., Hedman B (2008) Geometric structure determination of N694C lipoxygenase: a
comparative near-edge X-ray absorption spectroscopy and extended X-ray absorption fine structure study. Inorganic
Chemistry. [IF=0.986, Cited=5, 18656914].
Hocking RK, DeBeer George S, Gross Z, ..., Solomon EI (2009) Fe L- and K-edge XAS of low-spin ferric corrole: bonding
and reactivity relative to low-spin ferric porphyrin. Inorganic Chemistry. [IF=0.986, Cited=27, 19149467].
Halime Z, Kieber-Emmons MT, Qayyum MF, ..., Karlin KD (2010) Heme-copper-dioxygen complexes: toward understanding
ligand-environmental effects on the coordination geometry, electronic structure, and reactivity. Inorganic Chemistry.
[IF=0.986, Cited=31, 20380465].
Zhang HH, Filipponi A, Di Cicco A, ..., Hodgson K (1996) Multiple-Edge XAS Studies of Synthetic Iron-Copper Bridged
Molecular Assemblies Relevant to Cytochrome c Oxidase. Structure Determination Using Multiple-Scattering Analysis with
Statistical Evaluation of Errors. Inorganic Chemistry. [IF=0.986, Cited=2, 11666681].
DeBeer S, Kiser CN, Mines GA, ..., Gray HB (1999) X-ray Absorption Spectra of the Oxidized and Reduced Forms of C112D
Azurin from Pseudomonas aeruginosa. Inorganic Chemistry. [IF=0.986, Cited=13, 11673945].
Davis MI, Davis MI, Wasinger EC, ..., Solomon EI (1999) Spectroscopic Investigation of Reduced Protocatechuate
3,4-Dioxygenase: Charge-Induced Alterations in the Active Site Iron Coordination Environment. Inorganic Chemistry.
[IF=0.986, Cited=5, 11671125].
Nivorozhkin AL, Segal BM, Musgrave KB, ..., Holm RH (2000) Metallocyclopeptide complexes with MII(S.Cys)4 chromophores.
Inorganic Chemistry. [IF=0.986, Cited=8, 12526490].
Neese F, Hedman B, Hodgson K, Solomon EI (1999) Relationship between the Dipole Strength of Ligand Pre-Edge Transitions
and Metal-Ligand Covalency. Inorganic Chemistry. [IF=0.986, Cited=30, 11671216].
Glaser T, Rose K, Shadle SE, ..., Solomon EI (2001) S K-edge X-ray absorption studies of tetranuclear iron-sulfur
clusters: mu-sulfide bonding and its contribution to electron delocalization. Journal of the American Chemical Society.
[IF=2.573, Cited=30, 11456546].
DeBeer George S, Metz M, Szilagyi RK, ..., Solomon EI (2001) A quantitative description of the ground-state wave
function of Cu(A) by X-ray absorption spectroscopy: comparison to plastocyanin and relevance to electron transfer.
Journal of the American Chemical Society. [IF=2.573, Cited=66, 11403610].
Anxolabéhère-Mallart E, Glaser T, Frank P, ..., Solomon EI (2001) Sulfur K-edge X-ray absorption spectroscopy of 2Fe-2S
ferredoxin: covalency of the oxidized and reduced 2Fe forms and comparison to model complexes. Journal of the American
Chemical Society. [IF=2.573, Cited=26, 11389625].
Lee SK, George SD, Antholine WE, ..., Solomon EI (2002) 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. Journal of the American Chemical Society.
[IF=2.573, Cited=95, 12022853].
Musgrave KB, Laplaza CE, Holm RH, ..., Hodgson KO (2002) Structural characterization of metallopeptides designed as
scaffolds for the stabilization of nickel(II)-Fe(4)S(4) bridged assemblies by X-ray absorption spectroscopy. Journal of
the American Chemical Society. [IF=2.573, Cited=4, 11902899].
Glaser T, Bertini I, Moura JJ, ..., Solomon EI (2001) Protein effects on the electronic structure of the [Fe4S4]2+
cluster in ferredoxin and HiPIP. Journal of the American Chemical Society. [IF=2.573, Cited=24, 11457306].
Chen P, DeBeer George S, Cabrito I, ..., Solomon EI (2002) Electronic structure description of the mu(4)-sulfide bridged
tetranuclear Cu(Z) center in N(2)O reductase. Journal of the American Chemical Society. [IF=2.573, Cited=31, 11817937].
Mirica LM, Vance M, Rudd DJ, ..., Stack TDP (2002) A stabilized mu-eta(2):eta(2) peroxodicopper(II) complex with a
secondary diamine ligand and its tyrosinase-like reactivity. Journal of the American Chemical Society. [IF=2.573,
Cited=16, 12167002].
Kemsley JN, Wasinger EC, Datta S, ..., Solomon EI (2003) Spectroscopic and kinetic studies of PKU-inducing mutants of
phenylalanine hydroxylase: Arg158Gln and Glu280Lys. Journal of the American Chemical Society. [IF=2.573, Cited=20, 12733906].
Davis MI, Wasinger EC, Decker A, ..., Solomon EI (2003) Spectroscopic and electronic structure studies of
2,3-dihydroxybiphenyl 1,2-dioxygenase: O2 reactivity of the non-heme ferrous site in extradiol dioxygenases. Journal of
the American Chemical Society. [IF=2.573, Cited=34, 16220940].
Szilagyi RK, Lim BS, Glaser T, ..., Solomon EI (2003) Description of the ground state wave functions of Ni dithiolenes
using sulfur K-edge X-ray absorption spectroscopy. Journal of the American Chemical Society. [IF=2.573, Cited=62, 15369373].
Kemsley JN, Zaleski KL, Chow MS, ..., Solomon EI (2003) Spectroscopic studies of the interaction of ferrous bleomycin
with DNA. Journal of the American Chemical Society. [IF=2.573, Cited=6, 12952460].
Wasinger EC, de Groot FMF, Hedman B, ..., Solomon EI (2003) L-edge X-ray absorption spectroscopy of non-heme iron sites:
experimental determination of differential orbital covalency. Journal of the American Chemical Society. [IF=2.573,
Cited=76, 14558838].
DeBeer George S, Basumallick L, Szilagyi RK, ..., Solomon EI (2003) Spectroscopic investigation of stellacyanin mutants:
axial ligand interactions at the blue copper site. Journal of the American Chemical Society. [IF=2.573, Cited=34, 16220954].
Szilagyi RK, Bryngelson PA, Maroney MJ, ..., Solomon EI (2004) S K-edge X-ray absorption spectroscopic investigation of
the Ni-containing superoxide dismutase active site: new structural insight into the mechanism. Journal of the American
Chemical Society. [IF=2.573, Cited=27, 15012109].
Del Río D, Sarangi R, Chufán EE, ..., Solomon EI (2005) Geometric and electronic structure of the heme-peroxo-copper
complex [(F8TPP)FeIII-(O22-)-CuII(TMPA)](ClO4). Journal of the American Chemical Society. [IF=2.573, Cited=15, 16117536].
Basumallick L, Sarangi R, DeBeer George S, ..., Solomon EI (2005) Spectroscopic and density functional studies of the
red copper site in nitrosocyanin: role of the protein in determining active site geometric and electronic structure.
Journal of the American Chemical Society. [IF=2.573, Cited=48, 15755175].
Aboelella NW, Kryatov SV, Gherman BF, ..., Tolman WB (2004) Dioxygen activation at a single copper site: structure,
bonding, and mechanism of formation of 1:1 Cu-O2 adducts. Journal of the American Chemical Society. [IF=2.573,
Cited=70, 15612729].
Dey A, Glaser T, Moura JJG, ..., Solomon EI (2004) Ligand K-edge X-ray absorption spectroscopy and DFT calculations on
[Fe3S4]0,+ clusters: delocalization, redox, and effect of the protein environment. Journal of the American Chemical
Society. [IF=2.573, Cited=17, 15612726].
Dey A, Glaser T, Couture MMJ, ..., Solomon EI (2004) Ligand K-edge X-ray absorption spectroscopy of [Fe4S4]1+,2+,3+
clusters: changes in bonding and electronic relaxation upon redox. Journal of the American Chemical Society. [IF=2.573,
Cited=18, 15225075].
Dey A, Okamura Ta, Ueyama N, ..., Solomon EI (2005) Sulfur K-edge XAS and DFT calculations on P450 model complexes:
effects of hydrogen bonding on electronic structure and redox potentials. Journal of the American Chemical Society.
[IF=2.573, Cited=41, 16117545].
Anderson TM, Cao R, Slonkina E, ..., Hill CL (2005) A palladium-oxo complex. Stabilization of this proposed catalytic
intermediate by an encapsulating polytungstate ligand. Journal of the American Chemical Society. [IF=2.573, Cited=16, 16117527].
Dey A, Chow M, Taniguchi K, ..., Solomon EI (2006) Sulfur K-edge XAS and DFT calculations on nitrile hydratase:
geometric and electronic structure of the non-heme iron active site. Journal of the American Chemical Society.
[IF=2.573, Cited=33, 16402841].
Mirica LM, Rudd DJ, Vance MA, ..., Stack TDP (2006) mu-eta2:eta2-peroxodicopper(II) complex with a secondary diamine
ligand: a functional model of tyrosinase. Journal of the American Chemical Society. [IF=2.573, Cited=28, 16492052].
Ottenwaelder X, Rudd DJ, Corbett MC, ..., Stack TDP (2006) Reversible O-O bond cleavage in copper-dioxygen isomers:
impact of anion basicity. Journal of the American Chemical Society. [IF=2.573, Cited=25, 16848427].
Sarangi R, Aboelella N, Fujisawa K, ..., Solomon EI (2006) X-ray absorption edge spectroscopy and computational studies
on LCuO2 species: Superoxide-Cu(II) versus peroxide-Cu(III) bonding. Journal of the American Chemical Society.
[IF=2.573, Cited=60, 16787093].
Dey A, Hocking RK, Larsen P, ..., Solomon EI (2006) 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.
Journal of the American Chemical Society. [IF=2.573, Cited=23, 16866539].
Hocking RK, Wasinger EC, de Groot FMF, ..., Solomon EI (2006) Fe L-edge XAS studies of K4[Fe(CN)6] and K3[Fe(CN)6]: a
direct probe of back-bonding. Journal of the American Chemical Society. [IF=2.573, Cited=71, 16895409].
Lugo-Mas P, Dey A, Xu L, ..., Kovacs JA (2006) How does single oxygen atom addition affect the properties of an Fe-
nitrile hydratase analogue? The compensatory role of the unmodified thiolate. Journal of the American Chemical Society.
[IF=2.573, Cited=39, 16925440].
Dey A, Jenney FE, Adams MWW, ..., Solomon EI (2007) Sulfur K-edge X-ray absorption spectroscopy and density functional
theory calculations on superoxide reductase: role of the axial thiolate in reactivity. Journal of the American Chemical
Society. [IF=2.573, Cited=27, 17887751].
Hocking RK, Wasinger EC, Yan YL, ..., Solomon EI (2007) 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. Journal of the American
Chemical Society. [IF=2.573, Cited=42, 17199290].
Sarangi R, DeBeer George S, Rudd DJ, ..., Solomon EI (2007) 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. Journal of the
American Chemical Society. [IF=2.573, Cited=64, 17269767].
Cao R, Anderson TM, Piccoli PMB, ..., Hill CL (2007) Terminal gold-oxo complexes. Journal of the American Chemical
Society. [IF=2.573, Cited=16, 17711276].
Sarangi R, York JT, Helton ME, ..., Solomon EI (2007) X-ray absorption spectroscopic and theoretical studies on
(L)2[Cu2(S2)n]2+ complexes: disulfide versus disulfide(*1-) bonding. Journal of the American Chemical Society.
[IF=2.573, Cited=18, 18076173].
Sarangi R, Gorelsky SI, Basumallick L, ..., Solomon EI (2008) Spectroscopic and density functional theory studies of the
blue-copper site in M121SeM and C112SeC azurin: Cu-Se versus Cu-S bonding. Journal of the American Chemical Society.
[IF=2.573, Cited=17, 18314977].
Zhao M, Helms B, Slonkina E, ..., Lippard SJ (2008) Iron complexes of dendrimer-appended carboxylates for activating
dioxygen and oxidizing hydrocarbons. Journal of the American Chemical Society. [IF=2.573, Cited=16, 18331028].
Fay AW, Blank MA, Lee CC, ..., Ribbe MW (2010) Characterization of isolated nitrogenase FeVco. Journal of the American
Chemical Society. [IF=2.573, Cited=44, 20718463].
Sun N, Dey A, Xiao Z, ..., Solomon EI (2010) Solvation effects on S K-edge XAS spectra of Fe-S proteins: normal and
inverse effects on WT and mutant rubredoxin. Journal of the American Chemical Society. [IF=2.573, Cited=12, 20726554].
Liu Z, Qayyum MF, Wu C, ..., Thompson ME (2011) A codeposition route to CuI-pyridine coordination complexes for organic
light-emitting diodes. Journal of the American Chemical Society. [IF=2.573, Cited=54, 21366248].
Dey A, Peng Y, Broderick WE, ..., Solomon EI (2011) S K-edge XAS and DFT calculations on SAM dependent pyruvate formate-
lyase activating enzyme: nature of interaction between the Fe4S4 cluster and SAM and its role in reactivity. Journal of
the American Chemical Society. [IF=2.573, Cited=30, 21992686].
Kjaergaard CH, Durand F, Tasca F, ..., Solomon EI (2012) Spectroscopic and crystallographic characterization of
"alternative resting" and "resting oxidized" enzyme forms of bilirubin oxidase: implications for activity and
electrochemical behavior of multicopper oxidases. Journal of the American Chemical Society. [IF=2.573, Cited=23, 22413777].
Park GY, Qayyum MF, Woertink J, ..., Karlin KD (2012) Geometric and electronic structure of
[{Cu(MeAN)}2(μ-η2:η2(O2(2-)))]2+ with an unusually long O-O bond: O-O bond weakening vs activation for reductive
cleavage. Journal of the American Chemical Society. [IF=2.573, Cited=29, 22571744].
Wilson SA, Chen J, Hong S, ..., Solomon EI (2012) [Fe(IV)═O(TBC)(CH3CN)]2+: comparative reactivity of iron(IV)-oxo
species with constrained equatorial cyclam ligation. Journal of the American Chemical Society. [IF=2.573, Cited=27, 22708532].
Hadt RG, Sun N, Marshall NM, ..., Solomon EI (2012) Spectroscopic and DFT studies of second-sphere variants of the type
1 copper site in azurin: covalent and nonlocal electrostatic contributions to reduction potentials. Journal of the
American Chemical Society. [IF=2.573, Cited=38, 22985400].
Wilson SA, Kroll T, Decreau RA, ..., Solomon EI (2013) Iron L-edge X-ray absorption spectroscopy of oxy-picket fence
porphyrin: experimental insight into Fe-O2 bonding. Journal of the American Chemical Society. [IF=2.573, Cited=41, 23259487].
McQuilken AC, Ha Y, Sutherlin KD, ..., Goldberg DP (2013) Preparation of non-heme {FeNO}7 models of cysteine
dioxygenase: sulfur versus nitrogen ligation and photorelease of nitric oxide. Journal of the American Chemical Society.
[IF=2.573, Cited=24, 24040838].
Peterson RL, Ginsbach JW, Cowley RE, ..., Karlin KD (2013) Stepwise protonation and electron-transfer reduction of a
primary copper-dioxygen adduct. Journal of the American Chemical Society. [IF=2.573, Cited=34, 24164682].
Qayyum MF, Sarangi R, Fujisawa K, ..., Solomon EI (2013) L-edge X-ray absorption spectroscopy and DFT calculations on
Cu2O2 species: direct electrophilic aromatic attack by side-on peroxo bridged dicopper(II) complexes. Journal of the
American Chemical Society. [IF=2.573, Cited=17, 24102191].
Lundberg M, Kroll T, DeBeer S, ..., Solomon EI (2013) Metal-ligand covalency of iron complexes from high-resolution
resonant inelastic X-ray scattering. Journal of the American Chemical Society. [IF=2.573, Cited=23, 24131028].
Engstrom LM, Brinkmeyer MK, Ha Y, ..., David SS (2014) A zinc linchpin motif in the MUTYH glycosylase interdomain
connector is required for efficient repair of DNA damage. Journal of the American Chemical Society. [IF=2.573,
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Ha Y, Tenderholt AL, Holm RH, ..., Solomon EI (2014) Sulfur K-edge X-ray absorption spectroscopy and density functional
theory calculations on monooxo Mo(IV) and bisoxo Mo(VI) bis-dithiolenes: insights into the mechanism of oxo transfer in
sulfite oxidase and its relation to the mechanism of DMSO reductase. Journal of the American Chemical Society.
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Halvagar MR, Solntsev PV, Lim H, ..., Tolman WB (2014) Hydroxo-bridged dicopper(II,III) and -(III,III) complexes: models
for putative intermediates in oxidation catalysis. Journal of the American Chemical Society. [IF=2.573, Cited=20, 24821432].
Kroll T, Hadt RG, Wilson SA, ..., Solomon EI (2014) Resonant inelastic X-ray scattering on ferrous and ferric bis-
imidazole porphyrin and cytochrome c: nature and role of the axial methionine-Fe bond. Journal of the American Chemical
Society. [IF=2.573, Cited=23, 25475739].
Xie X, Gorelsky SI, Sarangi R, ..., Solomon EI (2008) Perturbations to the geometric and electronic structure of the CuA
site: factors that influence delocalization and their contributions to electron transfer. Journal of the American
Chemical Society. [IF=2.573, Cited=28, 18348522].
Chow MS, Eser BE, Wilson SA, ..., Solomon EI (2009) Spectroscopy and kinetics of wild-type and mutant tyrosine
hydroxylase: mechanistic insight into O2 activation. Journal of the American Chemical Society. [IF=2.573, Cited=30, 19489646].
Dey A, Jiang Y, Ortiz de Montellano P, ..., Solomon EI (2009) S K-edge XAS and DFT calculations on cytochrome P450:
covalent and ionic contributions to the cysteine-Fe bond and their contribution to reactivity. Journal of the American
Chemical Society. [IF=2.573, Cited=20, 19438234].
Yoshizawa JM, Blank MA, Fay AW, ..., Ribbe MW (2009) Optimization of FeMoco maturation on NifEN. Journal of the American
Chemical Society. [IF=2.573, Cited=34, 19514721].
Hocking RK, DeBeer George S, Raymond KN, ..., Solomon EI (2010) Fe L-edge X-ray absorption spectroscopy determination of
differential orbital covalency of siderophore model compounds: electronic structure contributions to high stability
constants. Journal of the American Chemical Society. [IF=2.573, Cited=27, 20187651].
Augustine AJ, Kjaergaard C, Qayyum M, ..., Solomon EI (2010) Systematic perturbation of the trinuclear copper cluster in
the multicopper oxidases: the role of active site asymmetry in its reduction of O2 to H2O. Journal of the American
Chemical Society. [IF=2.573, Cited=29, 20377263].
Tenderholt AL, Wang JJ, Szilagyi RK, ..., Solomon EI (2010) Sulfur K-edge X-ray absorption spectroscopy and density
functional calculations on Mo(IV) and Mo(VI)=O bis-dithiolenes: insights into the mechanism of oxo transfer in DMSO
reductase and related functional analogues. Journal of the American Chemical Society. [IF=2.573, Cited=16, 20499905].
Kroll T, Baker ML, Wilson SA, ..., Solomon EI (2021) Effect of 3d/4p Mixing on 1s2p Resonant Inelastic X-ray Scattering:
Electronic Structure of Oxo-Bridged Iron Dimers. Journal of the American Chemical Society. [IF=2.573, Cited=5, 33730507].
Bhadra M, Transue WJ, Lim H, ..., Karlin KD (2021) A Thioether-Ligated Cupric Superoxide Model with Hydrogen Atom
Abstraction Reactivity. Journal of the American Chemical Society. [IF=2.573, Cited=6, 33684290].
Heyer AJ, Plessers D, Braun A, ..., Solomon EI (2022) Methane Activation by a Mononuclear Copper Active Site in the
Zeolite Mordenite: Effect of Metal Nuclearity on Reactivity. Journal of the American Chemical Society. [IF=2.573,
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Singha A, Sekretareva A, Tao L, ..., Solomon EI (2023) Tuning the Type 1 Reduction Potential of Multicopper Oxidases:
Uncoupling the Effects of Electrostatics and H-Bonding to Histidine Ligands. Journal of the American Chemical Society.
[IF=2.573, Cited=4, 37294874].
Lim H, Brueggemeyer MT, Transue WJ, ..., Solomon EI (2023) Kβ X-ray Emission Spectroscopy of Cu(I)-Lytic Polysaccharide
Monooxygenase: Direct Observation of the Frontier Molecular Orbital for H₂O₂ Activation. Journal
of the American Chemical Society. [IF=2.573, Cited=6, 37441786].
Braun A, Gee LB, Mara MW, ..., Solomon EI (2023) X-ray Spectroscopic Study of the Electronic Structure of a Trigonal
High-Spin Fe(IV)═O Complex Modeling Non-Heme Enzyme Intermediates and Their Reactivity. Journal of the American Chemical
Society. [IF=2.573, Cited=1, 37590931].
Cowley RE, Cirera J, Qayyum MF, ..., Solomon EI (2016) Structure of the Reduced Copper Active Site in Preprocessed
Galactose Oxidase: Ligand Tuning for One-Electron O₂ Activation in Cofactor Biogenesis. Journal of the
American Chemical Society. [IF=2.573, Cited=14, 27626829].
Yan JJ, Gonzales MA, Mascharak PK, ..., Solomon EI (2017) L-Edge X-ray Absorption Spectroscopic Investigation of
{FeNO}⁶: Delocalization vs Antiferromagnetic Coupling. Journal of the American Chemical Society. [IF=2.573,
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Ha Y, Arnold AR, Nuñez NN, ..., Solomon EI (2017) Sulfur K-Edge XAS Studies of the Effect of DNA Binding on the
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Schwarzenbacher R, Canaves JM, Brinen LS, ..., Wilson IA (2003) Crystal structure of uronate isomerase (TM0064) from
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Page R, Nelson MS, von Delft F, ..., Wilson IA (2004) Crystal structure of gamma-glutamyl phosphate reductase (TM0293)
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Schwarzenbacher R, von Delft F, Canaves JM, ..., Wilson IA (2004) Crystal structure of an iron-containing
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Schwarzenbacher R, Deacon AM, Jaroszewski L, ..., Wilson IA (2004) Crystal structure of a putative glutamine amido
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Erlandsen H, Canaves JM, Elsliger MA, ..., Wilson IA (2004) Crystal structure of an HEPN domain protein (TM0613) from
Thermotoga maritima at 1.75 A resolution. Proteins: Structure, Function and Bioinformatics. [IF=0.897, Cited=7, 14997578].
Schwarzenbacher R, Jaroszewski L, von Delft F, ..., Wilson IA (2004) Crystal structure of an aspartate aminotransferase
(TM1255) from Thermotoga maritima at 1.90 A resolution. Proteins: Structure, Function and Bioinformatics. [IF=0.897,
Cited=8, 15103638].
Schwarzenbacher R, von Delft F, Abdubek P, ..., Wilson IA (2004) Crystal structure of a putative PII-like signaling
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Heine A, Canaves JM, von Delft F, ..., Wilson IA (2004) Crystal structure of O-acetylserine sulfhydrylase (TM0665) from
Thermotoga maritima at 1.8 A resolution. Proteins: Structure, Function and Bioinformatics. [IF=0.897, Cited=13, 15211522].
Schwarzenbacher R, von Delft F, Jaroszewski L, ..., Wilson IA (2004) Crystal structure of a putative oxalate
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[IF=0.897, Cited=12, 15211523].
Schwarzenbacher R, Jaroszewski L, von Delft F, ..., Wilson IA (2004) Crystal structure of a phosphoribosylaminoimidazole
mutase PurE (TM0446) from Thermotoga maritima at 1.77-A resolution. Proteins: Structure, Function and Bioinformatics.
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Miller MD, Schwarzenbacher R, von Delft F, ..., Wilson IA (2004) Crystal structure of a tandem cystathionine-beta-
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Bioinformatics. [IF=0.897, Cited=26, 15326606].
Schwarzenbacher R, Jaroszewski L, von Delft F, ..., Wilson IA (2004) Crystal structure of a type II quinolic acid
phosphoribosyltransferase (TM1645) from Thermotoga maritima at 2.50 A resolution. Proteins: Structure, Function and
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Spraggon G, Schwarzenbacher R, Kreusch A, ..., Wilson IA (2004) Crystal structure of an Udp-n-acetylmuramate-alanine
ligase MurC (TM0231) from Thermotoga maritima at 2.3 A resolution. Proteins: Structure, Function and Bioinformatics.
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Spraggon G, Schwarzenbacher R, Kreusch A, ..., Wilson IA (2004) Crystal structure of a methionine aminopeptidase
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Levin I, Schwarzenbacher R, Page R, ..., Wilson IA (2004) Crystal structure of a PIN (PilT N-terminus) domain (AF0591)
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Santelli E, Schwarzenbacher R, McMullan D, ..., Wilson IA (2004) Crystal structure of a glycerophosphodiester
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Xu Q, Schwarzenbacher R, McMullan D, ..., Wilson IA (2004) Crystal structure of a ribose-5-phosphate isomerase RpiB
(TM1080) from Thermotoga maritima at 1.90 A resolution. Proteins: Structure, Function and Bioinformatics. [IF=0.897,
Cited=11, 15162497].
Jaroszewski L, Schwarzenbacher R, von Delft F, ..., Wilson IA (2004) Crystal structure of a novel manganese-containing
cupin (TM1459) from Thermotoga maritima at 1.65 A resolution. Proteins: Structure, Function and Bioinformatics.
[IF=0.897, Cited=19, 15229893].
Bakolitsa C, Schwarzenbacher R, McMullan D, ..., Wilson IA (2004) Crystal structure of an orphan protein (TM0875) from
Thermotoga maritima at 2.00-A resolution reveals a new fold. Proteins: Structure, Function and Bioinformatics.
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McMullan D, Schwarzenbacher R, Jaroszewski L, ..., Wilson IA (2004) Crystal structure of a novel Thermotoga maritima
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Xu Q, Schwarzenbacher R, Page R, ..., Wilson IA (2004) Crystal structure of an allantoicase (YIR029W) from Saccharomyces
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Levin I, Miller MD, Schwarzenbacher R, ..., Wilson IA (2005) Crystal structure of an indigoidine synthase A (IndA)-like
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Rife C, Schwarzenbacher R, McMullan D, ..., Wilson IA (2005) Crystal structure of a putative modulator of DNA gyrase
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Jaroszewski L, Schwarzenbacher R, McMullan D, ..., Wilson IA (2005) Crystal structure of Hsp33 chaperone (TM1394) from
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Foundation and the National Institutes of Health. We thank A. M. Barrios for help in acquiring resonance Raman spectra.
X-ray absorption spectroscopic data were measured at SSRL. SSRL is funded by the Department of Energy, Office of Basic
Energy Science. The SSRL Structural Molecular Biology Program is supported by the National Institute of Health, National
Center for Research Resources, Biomedical Technology Program, and by the Department of Energy, Office of Biological and
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Hodgson, Keith

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