Published in J Am Chem Soc on March 23, 2005
Sensitivity and resolution enhanced solid-state NMR for paramagnetic systems and biomolecules under very fast magic angle spinning. Acc Chem Res (2013) 1.17
NMR-based structural modeling of graphite oxide using multidimensional 13C solid-state NMR and ab initio chemical shift calculations. J Am Chem Soc (2010) 1.07
Evaluation of the influence of intermolecular electron-nucleus couplings and intrinsic metal binding sites on the measurement of 15N longitudinal paramagnetic relaxation enhancements in proteins by solid-state NMR. J Biomol NMR (2011) 0.92
NMR hyperfine shifts in blue copper proteins: a quantum chemical investigation. J Am Chem Soc (2008) 0.89
NMR, IR/Raman, and structural properties in HNO and RNO (R = alkyl and aryl) metalloporphyrins with implication for the HNO-myoglobin complex. J Am Chem Soc (2010) 0.86
Solid-state ¹⁷O NMR spectroscopy of paramagnetic coordination compounds. Angew Chem Int Ed Engl (2015) 0.84
Structural studies of proteins by paramagnetic solid-state NMR spectroscopy. J Magn Reson (2015) 0.79
Distinguishing polymorphs of the semiconducting pigment copper phthalocyanine by solid-state NMR and Raman spectroscopy. J Phys Chem B (2010) 0.75
Calculating the geometry and Raman spectrum of physiological bis(L-histidinato)copper(II): an assessment of DFT functionals for aqueous and isolated systems. J Mol Model (2017) 0.75
An investigation of bone resorption and Dictyostelium discoideum growth inhibition by bisphosphonate drugs. J Med Chem (2002) 3.82
A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence. Science (2008) 2.96
Human platelet dense granules contain polyphosphate and are similar to acidocalcisomes of bacteria and unicellular eukaryotes. J Biol Chem (2004) 2.41
Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases. Proc Natl Acad Sci U S A (2007) 2.00
Amiodarone has intrinsic anti-Trypanosoma cruzi activity and acts synergistically with posaconazole. J Med Chem (2006) 1.98
An NMR investigation of CO tolerance in a Pt/Ru fuel cell catalyst. J Am Chem Soc (2002) 1.94
Reduced cell proliferation by IKK2 depletion in a mouse lung-cancer model. Nat Cell Biol (2012) 1.87
Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J Am Chem Soc (2009) 1.75
Antibacterial drug leads targeting isoprenoid biosynthesis. Proc Natl Acad Sci U S A (2012) 1.69
Structure of (E)-4-hydroxy-3-methyl-but-2-enyl diphosphate reductase, the terminal enzyme of the non-mevalonate pathway. J Am Chem Soc (2008) 1.57
Bioorganometallic mechanism of action, and inhibition, of IspH. Proc Natl Acad Sci U S A (2010) 1.54
Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes. J Am Chem Soc (2006) 1.48
Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: implications for drug design. Proteins (2006) 1.47
Diterpene cyclases and the nature of the isoprene fold. Proteins (2010) 1.41
3-D QSAR investigations of the inhibition of Leishmania major farnesyl pyrophosphate synthase by bisphosphonates. J Med Chem (2003) 1.35
Farnesyl pyrophosphate synthase is an essential enzyme in Trypanosoma brucei. In vitro RNA interference and in vivo inhibition studies. J Biol Chem (2003) 1.31
Carbon-13 NMR shielding in the twenty common amino acids: comparisons with experimental results in proteins. J Am Chem Soc (2002) 1.29
Organometallic mechanism of action and inhibition of the 4Fe-4S isoprenoid biosynthesis protein GcpE (IspG). Proc Natl Acad Sci U S A (2010) 1.28
Multitarget drug discovery for tuberculosis and other infectious diseases. J Med Chem (2014) 1.24
Enthalpy versus entropy-driven binding of bisphosphonates to farnesyl diphosphate synthase. J Am Chem Soc (2006) 1.22
Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates and diphosphates: a potential route to new bone antiresorption and antiparasitic agents. J Med Chem (2002) 1.22
Effects of bisphosphonates on the growth of Entamoeba histolytica and Plasmodium species in vitro and in vivo. J Med Chem (2004) 1.21
Inhibition of the Fe(4)S(4)-cluster-containing protein IspH (LytB): electron paramagnetic resonance, metallacycles, and mechanisms. J Am Chem Soc (2010) 1.21
(57)Fe Mössbauer isomer shifts of heme protein model systems: electronic structure calculations. J Am Chem Soc (2002) 1.21
A density functional theory investigation of Fe-N-O bonding in heme proteins and model systems. J Am Chem Soc (2003) 1.21
Bisphosphonate inhibition of a Plasmodium farnesyl diphosphate synthase and a general method for predicting cell-based activity from enzyme data. J Med Chem (2008) 1.21
Thermodynamics of bisphosphonates binding to human bone: a two-site model. J Am Chem Soc (2009) 1.21
Photoaffinity antigens for human gammadelta T cells. J Immunol (2008) 1.19
Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation. J Med Chem (2008) 1.18
Quantitative structure-activity relationships for gammadelta T cell activation by bisphosphonates. J Med Chem (2004) 1.16
The farnesyl-diphosphate/geranylgeranyl-diphosphate synthase of Toxoplasma gondii is a bifunctional enzyme and a molecular target of bisphosphonates. J Biol Chem (2007) 1.16
Ultrahigh resolution protein structures using NMR chemical shift tensors. Proc Natl Acad Sci U S A (2011) 1.15
In vivo activities of farnesyl pyrophosphate synthase inhibitors against Leishmania donovani and Toxoplasma gondii. Antimicrob Agents Chemother (2002) 1.14
Bisphosphonate inhibitors of Toxoplasma gondi growth: in vitro, QSAR, and in vivo investigations. J Med Chem (2005) 1.13
Non-bisphosphonate inhibitors of isoprenoid biosynthesis identified via computer-aided drug design. Chem Biol Drug Des (2011) 1.13
Cytochrome P450: an investigation of the Mössbauer spectra of a reaction intermediate and an Fe(IV)[double bond]O model system. J Am Chem Soc (2004) 1.13
Pyridinium-1-yl bisphosphonates are potent inhibitors of farnesyl diphosphate synthase and bone resorption. J Med Chem (2005) 1.12
Activity of bisphosphonates against Trypanosoma brucei rhodesiense. J Med Chem (2002) 1.11
Mechanism of action and inhibition of dehydrosqualene synthase. Proc Natl Acad Sci U S A (2010) 1.11
A solid state 13C NMR, crystallographic, and quantum chemical investigation of chemical shifts and hydrogen bonding in histidine dipeptides. J Am Chem Soc (2005) 1.10
The H(+)-pyrophosphatase of Rhodospirillum rubrum is predominantly located in polyphosphate-rich acidocalcisomes. J Biol Chem (2004) 1.10
Selective in vitro effects of the farnesyl pyrophosphate synthase inhibitor risedronate on Trypanosoma cruzi. Int J Antimicrob Agents (2004) 1.10
Radical cure of experimental cutaneous leishmaniasis by the bisphosphonate pamidronate. J Infect Dis (2002) 1.10
Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity. Proc Natl Acad Sci U S A (2012) 1.09
Isoprenoid biosynthesis as a drug target: bisphosphonate inhibition of Escherichia coli K12 growth and synergistic effects of fosmidomycin. J Med Chem (2006) 1.09
NMR investigations of the static and dynamic structures of bisphosphonates on human bone: a molecular model. J Am Chem Soc (2008) 1.09
On the Mössbauer spectra of isopenicillin N synthase and a model (FeNO)7 (S = 3/2) system. J Am Chem Soc (2004) 1.08
Lipophilic bisphosphonates are potent inhibitors of Plasmodium liver-stage growth. Antimicrob Agents Chemother (2010) 1.07
Lipophilic pyridinium bisphosphonates: potent gammadelta T cell stimulators. Angew Chem Int Ed Engl (2010) 1.03
Mössbauer quadrupole splittings and electronic structure in heme proteins and model systems: a density functional theory investigation. J Am Chem Soc (2002) 1.03
Are free radicals involved in IspH catalysis? An EPR and crystallographic investigation. J Am Chem Soc (2012) 1.02
Farnesyl diphosphate synthase inhibitors from in silico screening. Chem Biol Drug Des (2013) 1.02
Protein structure refinement using 13C alpha chemical shift tensors. J Am Chem Soc (2009) 1.01
Antiparasitic activity of risedronate in a murine model of acute Chagas' disease. Int J Antimicrob Agents (2004) 1.00
Phosphonosulfonates are potent, selective inhibitors of dehydrosqualene synthase and staphyloxanthin biosynthesis in Staphylococcus aureus. J Med Chem (2009) 0.99
Magic-angle spinning (31)P NMR spectroscopy of condensed phosphates in parasitic protozoa: visualizing the invisible. FEBS Lett (2002) 0.98
Pyridine inhibitor binding to the 4Fe-4S protein A. aeolicus IspH (LytB): a HYSCORE Investigation. J Am Chem Soc (2011) 0.98
Indirect stimulation of human Vγ2Vδ2 T cells through alterations in isoprenoid metabolism. J Immunol (2011) 0.97
Crystallographic structures of two bisphosphonate:1-deoxyxylulose-5-phosphate reductoisomerase complexes. J Am Chem Soc (2004) 0.97
Bisphosphonate inhibition of the exopolyphosphatase activity of the Trypanosoma brucei soluble vacuolar pyrophosphatase. J Med Chem (2005) 0.95
Applying molecular dynamics simulations to identify rarely sampled ligand-bound conformational states of undecaprenyl pyrophosphate synthase, an antibacterial target. Chem Biol Drug Des (2011) 0.94
Structural studies of Vgamma2Vdelta2 T cell phosphoantigens. Chem Biol (2006) 0.94
Antibacterial drug leads: DNA and enzyme multitargeting. J Med Chem (2015) 0.94
Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins (2010) 0.93
Inhibition of Trypanosoma cruzi hexokinase by bisphosphonates. J Med Chem (2006) 0.93
Structures of a potent phenylalkyl bisphosphonate inhibitor bound to farnesyl and geranylgeranyl diphosphate synthases. Proteins (2008) 0.92
Solid-state NMR of a paramagnetic DIAD-FeII catalyst: sensitivity, resolution enhancement, and structure-based assignments. J Am Chem Soc (2006) 0.92
Bisphosphonates as inhibitors of Trypanosoma cruzi hexokinase: kinetic and metabolic studies. J Biol Chem (2007) 0.92
Nuclear magnetic resonance shifts in paramagnetic metalloporphyrins and metalloproteins. J Am Chem Soc (2002) 0.91
Inhibition of staphyloxanthin virulence factor biosynthesis in Staphylococcus aureus: in vitro, in vivo, and crystallographic results. J Med Chem (2009) 0.91
Structure, function and inhibition of the two- and three-domain 4Fe-4S IspG proteins. Proc Natl Acad Sci U S A (2012) 0.91
Chemical characteristic and anticoagulant activity of the sulfated polysaccharide isolated from Monostroma latissimum (Chlorophyta). Int J Biol Macromol (2008) 0.91
Structure and mechanism of action of isopentenylpyrophosphate-dimethylallylpyrophosphate isomerase. J Am Chem Soc (2003) 0.90
An ENDOR and HYSCORE investigation of a reaction intermediate in IspG (GcpE) catalysis. J Am Chem Soc (2011) 0.90
Activity of sulfonium bisphosphonates on tumor cell lines. J Med Chem (2007) 0.90
Activity of nitrogen-containing and non-nitrogen-containing bisphosphonates on tumor cell lines. J Med Chem (2006) 0.89
Bioorganometallic chemistry with IspG and IspH: structure, function, and inhibition of the [Fe(4)S(4)] proteins involved in isoprenoid biosynthesis. Angew Chem Int Ed Engl (2014) 0.89
NMR hyperfine shifts in blue copper proteins: a quantum chemical investigation. J Am Chem Soc (2008) 0.89
Quantitative structure--activity relations for gammadelta T cell activation by phosphoantigens. J Med Chem (2002) 0.88
Calcium- and polyphosphate-containing acidic granules of sea urchin eggs are similar to acidocalcisomes, but are not the targets for NAADP. Biochem J (2010) 0.88
Role of rsbU and staphyloxanthin in phagocytosis and intracellular growth of Staphylococcus aureus in human macrophages and endothelial cells. J Infect Dis (2009) 0.88
Inhibition of isoprene biosynthesis pathway enzymes by phosphonates, bisphosphonates, and diphosphates. J Med Chem (2004) 0.87
A quantitative structure-activity relationship and pharmacophore modeling investigation of aryl-X and heterocyclic bisphosphonates as bone resorption agents. J Med Chem (2003) 0.87
Structures of fluoro, amino, and thiol inhibitors bound to the [Fe4S4] protein IspH. Angew Chem Int Ed Engl (2013) 0.86
Iron porphyrin carbenes as catalytic intermediates: structures, Mössbauer and NMR spectroscopic properties, and bonding. Angew Chem Int Ed Engl (2014) 0.86
Head-to-head prenyl tranferases: anti-infective drug targets. J Med Chem (2012) 0.86
Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes. Angew Chem Int Ed Engl (2012) 0.86
Isoprenoid biosynthesis: ferraoxetane or allyl anion mechanism for IspH catalysis? Angew Chem Int Ed Engl (2013) 0.85
Crystallization and preliminary X-ray diffraction study of the farnesyl diphosphate synthase from Trypanosoma brucei. Acta Crystallogr D Biol Crystallogr (2004) 0.85
Binding of azole antibiotics to Staphylococcus aureus flavohemoglobin increases intracellular oxidative stress. J Bacteriol (2010) 0.85
HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett (2012) 0.85
Solid-state NMR and quantum chemical investigations of 13Calpha shielding tensor magnitudes and orientations in peptides: determining phi and psi torsion angles. J Am Chem Soc (2005) 0.84
Synthesis of chiral phosphoantigens and their activity in gamma delta T cell stimulation. Bioorg Med Chem Lett (2004) 0.84
Particle-size effect of nanoscale platinum catalysts in oxygen reduction reaction: an electrochemical and 195Pt EC-NMR study. Phys Chem Chem Phys (2006) 0.84
Dronedarone, an amiodarone analog with improved anti-Leishmania mexicana efficacy. Antimicrob Agents Chemother (2014) 0.84