Published in J Am Chem Soc on July 21, 2010
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Kinetic and spectroscopic studies of hemin acquisition in the hemophore HasAp from Pseudomonas aeruginosa. Biochemistry (2010) 1.05
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Novel heme ligand displacement by CO in the soluble hemophore HasA and its proximal ligand mutants: implications for heme uptake and release. Biochemistry (2008) 1.01
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Functional aspects of the heme bound hemophore HasA by structural analysis of various crystal forms. Proteins (2000) 0.94
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X-ray crystallographic and solution state nuclear magnetic resonance spectroscopic investigations of NADP+ binding to ferredoxin NADP reductase from Pseudomonas aeruginosa. Biochemistry (2008) 0.91
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Backbone NMR assignments and H/D exchange studies on the ferric azide- and cyanide-inhibited forms of Pseudomonas aeruginosa heme oxygenase. Biochemistry (2006) 0.88
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Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures. J Comput Chem (2004) 3.83
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Automated builder and database of protein/membrane complexes for molecular dynamics simulations. PLoS One (2007) 2.65
Balancing solvation and intramolecular interactions: toward a consistent generalized Born force field. J Am Chem Soc (2006) 2.59
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Implicit solvation based on generalized Born theory in different dielectric environments. J Chem Phys (2004) 2.00
Oxidation of heme to beta- and delta-biliverdin by Pseudomonas aeruginosa heme oxygenase as a consequence of an unusual seating of the heme. J Am Chem Soc (2002) 1.98
Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theory. Biophys J (2004) 1.91
CHARMM-GUI Membrane Builder toward realistic biological membrane simulations. J Comput Chem (2014) 1.89
Nitric oxide in biological denitrification: Fe/Cu metalloenzyme and metal complex NO(x) redox chemistry. Chem Rev (2002) 1.81
Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124. Proc Natl Acad Sci U S A (2010) 1.64
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Differences in the electrostatic surfaces of the type III secretion needle proteins PrgI, BsaL, and MxiH. J Mol Biol (2007) 1.53
The plug-based nanovolume Microcapillary Protein Crystallization System (MPCS). Acta Crystallogr D Biol Crystallogr (2008) 1.52
The Min oscillator uses MinD-dependent conformational changes in MinE to spatially regulate cytokinesis. Cell (2011) 1.49
Application of torsion angle molecular dynamics for efficient sampling of protein conformations. J Comput Chem (2005) 1.48
Structural basis for the photoconversion of a phytochrome to the activated Pfr form. Nature (2010) 1.42
Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer. BMC Biotechnol (2009) 1.40
Transmembrane helix tilting: insights from calculating the potential of mean force. Phys Rev Lett (2008) 1.35
The heme oxygenase(s)-phytochrome system of Pseudomonas aeruginosa. J Biol Chem (2004) 1.35
Mutagenesis of tryptophan199 suggests that hopping is required for MauG-dependent tryptophan tryptophylquinone biosynthesis. Proc Natl Acad Sci U S A (2011) 1.32
Revisiting hydrophobic mismatch with free energy simulation studies of transmembrane helix tilt and rotation. Biophys J (2010) 1.31
Novel pyrrolopyrimidine-based α-helix mimetics: cell-permeable inhibitors of protein−protein interactions. J Am Chem Soc (2011) 1.29
The structural determination of an insect sterol carrier protein-2 with a ligand-bound C16 fatty acid at 1.35-A resolution. J Biol Chem (2003) 1.25
Carboxylate as the protonation site in (Peroxo)diiron(III) model complexes of soluble methane monooxygenase and related diiron proteins. J Am Chem Soc (2010) 1.24
DevS, a heme-containing two-component oxygen sensor of Mycobacterium tuberculosis. Biochemistry (2007) 1.24
Broad-spectrum antivirals against 3C or 3C-like proteases of picornaviruses, noroviruses, and coronaviruses. J Virol (2012) 1.24
The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci (2011) 1.23
Membrane assembly of simple helix homo-oligomers studied via molecular dynamics simulations. Biophys J (2006) 1.23
Heme/non-heme diiron(II) complexes and O2, CO, and NO adducts as reduced and substrate-bound models for the active site of bacterial nitric oxide reductase. J Am Chem Soc (2005) 1.16
Balantidium coli in an HIV-infected patient with chronic diarrhoea. AIDS (2003) 1.15
Influence of hydrophobic mismatch on structures and dynamics of gramicidin a and lipid bilayers. Biophys J (2012) 1.15
Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter. Chem Biol (2012) 1.14
Refinement of NMR structures using implicit solvent and advanced sampling techniques. J Am Chem Soc (2004) 1.14
Cyanochromes are blue/green light photoreversible photoreceptors defined by a stable double cysteine linkage to a phycoviolobilin-type chromophore. J Biol Chem (2009) 1.14
Generation of native-like protein structures from limited NMR data, modern force fields and advanced conformational sampling. J Biomol NMR (2005) 1.12
Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode. J Biol Chem (2010) 1.11
Azide-inhibited bacterial heme oxygenases exhibit an S = 3/2 (dxz,dyz)3(dxy)1(dz2)1 spin state: mechanistic implications for heme oxidation. J Am Chem Soc (2005) 1.11
Proline 107 is a major determinant in maintaining the structure of the distal pocket and reactivity of the high-spin heme of MauG. Biochemistry (2012) 1.10
X-CHIP: an integrated platform for high-throughput protein crystallization and on-the-chip X-ray diffraction data collection. Acta Crystallogr D Biol Crystallogr (2011) 1.09
Molecular dynamics studies of ion permeation in VDAC. Biophys J (2011) 1.09
Evidence for a fence that impedes the diffusion of phosphatidylinositol 4,5-bisphosphate out of the forming phagosomes of macrophages. Mol Biol Cell (2011) 1.09
Human mevalonate diphosphate decarboxylase: characterization, investigation of the mevalonate diphosphate binding site, and crystal structure. Arch Biochem Biophys (2008) 1.07
The crystal structure of bacteriophage HK97 gp6: defining a large family of head-tail connector proteins. J Mol Biol (2009) 1.07
Cholesterol flip-flop: insights from free energy simulation studies. J Phys Chem B (2010) 1.07
Fungal heme oxygenases: Functional expression and characterization of Hmx1 from Saccharomyces cerevisiae and CaHmx1 from Candida albicans. Biochemistry (2006) 1.05
Kinetic and spectroscopic studies of hemin acquisition in the hemophore HasAp from Pseudomonas aeruginosa. Biochemistry (2010) 1.05
Generation and application of new rat monoclonal antibodies against synthetic FLAG and OLLAS tags for improved immunodetection. J Immunol Methods (2007) 1.05
Transcription Factor NsrR from Bacillus subtilis Senses Nitric Oxide with a 4Fe-4S Cluster (†). Biochemistry (2008) 1.04
The hydrogen peroxide reactivity of peptidylglycine monooxygenase supports a Cu(II)-superoxo catalytic intermediate. J Biol Chem (2005) 1.03
Interdomain interactions within the two-component heme-based sensor DevS from Mycobacterium tuberculosis. Biochemistry (2007) 1.03
Application of solid-state NMR restraint potentials in membrane protein modeling. J Magn Reson (2008) 1.03
Role of hydrogen bonding and helix-lipid interactions in transmembrane helix association. J Am Chem Soc (2008) 1.03
The impact of ions on allosteric functions in human liver pyruvate kinase. Methods Enzymol (2009) 1.02
Glycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins. J Comput Chem (2011) 1.02
NMR-based simulation studies of Pf1 coat protein in explicit membranes. Biophys J (2013) 1.01
Molecular dynamics and NMR spectroscopy studies of E. coli lipopolysaccharide structure and dynamics. Biophys J (2013) 1.01
Reactivity studies on Fe(III)-(O2(2-))-Cu(II) compounds: influence of the ligand architecture and copper ligand denticity. Inorg Chem (2007) 1.01
Fanconi anemia group A and C double-mutant mice: functional evidence for a multi-protein Fanconi anemia complex. Exp Hematol (2002) 1.01
Accessibility of the distal heme face, rather than Fe-His bond strength, determines the heme-nitrosyl coordination number of cytochromes c': evidence from spectroscopic studies. Biochemistry (2005) 1.00
Transmembrane helix orientation and dynamics: insights from ensemble dynamics with solid-state NMR observables. Biophys J (2011) 1.00
Structural studies of bacterioferritin B from Pseudomonas aeruginosa suggest a gating mechanism for iron uptake via the ferroxidase center . Biochemistry (2010) 1.00
Transmembrane signaling of chemotaxis receptor tar: insights from molecular dynamics simulation studies. Biophys J (2011) 1.00
Insights into the nitric oxide reductase mechanism of flavodiiron proteins from a flavin-free enzyme. Biochemistry (2010) 1.00
Burning fat: the structural basis of fatty acid beta-oxidation. Curr Opin Struct Biol (2002) 1.00
A low-spin alkylperoxo-iron(III) complex with weak Fe-O and O-O bonds: implications for the mechanism of superoxide reductase. J Am Chem Soc (2006) 0.99
Rational tuning of the thiolate donor in model complexes of superoxide reductase: direct evidence for a trans influence in Fe(III)-OOR complexes. J Am Chem Soc (2008) 0.99
Evidence that histidine protonation of receptor-bound anthrax protective antigen is a trigger for pore formation. Biochemistry (2010) 0.99
CHARMM-GUI micelle builder for pure/mixed micelle and protein/micelle complex systems. J Chem Inf Model (2013) 0.99
A distal tyrosine residue is required for ligand discrimination in DevS from Mycobacterium tuberculosis. Biochemistry (2008) 0.98
Vibrational analysis of mononitrosyl complexes in hemerythrin and flavodiiron proteins: relevance to detoxifying NO reductase. J Am Chem Soc (2012) 0.98
Synthesis and spectroscopy of micro-oxo (O(2)(-))-bridged heme/non-heme diiron complexes: models for the active site of nitric oxide reductase. Inorg Chem (2004) 0.98
Solid-state NMR ensemble dynamics as a mediator between experiment and simulation. Biophys J (2011) 0.98
Influence of the nitrogen donors on nonheme iron models of superoxide reductase: high-spin Fe(III)-OOR complexes. J Am Chem Soc (2010) 0.98
Structural characterization of the hemophore HasAp from Pseudomonas aeruginosa: NMR spectroscopy reveals protein-protein interactions between Holo-HasAp and hemoglobin. Biochemistry (2009) 0.98
Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. FEBS J (2011) 0.98
Novel free energy calculations to explore mechanisms and energetics of membrane protein structure and function. J Comput Chem (2009) 0.98
NMR observable-based structure refinement of DAP12-NKG2C activating immunoreceptor complex in explicit membranes. Biophys J (2012) 0.97
Binding of Pseudomonas aeruginosa apobacterioferritin-associated ferredoxin to bacterioferritin B promotes heme mediation of electron delivery and mobilization of core mineral iron. Biochemistry (2009) 0.97
Mammalian mitochondrial and microsomal cytochromes b(5) exhibit divergent structural and biophysical characteristics. Biochem Biophys Res Commun (2004) 0.97