Published in J Biol Chem on April 03, 2003
Binary bacterial toxins: biochemistry, biology, and applications of common Clostridium and Bacillus proteins. Microbiol Mol Biol Rev (2004) 2.60
Bacillus anthracis edema toxin causes extensive tissue lesions and rapid lethality in mice. Am J Pathol (2005) 2.45
Hierarchical docking of databases of multiple ligand conformations. Curr Top Med Chem (2005) 1.79
Structure-based discovery of A2A adenosine receptor ligands. J Med Chem (2010) 1.71
Calcium-independent calmodulin binding and two-metal-ion catalytic mechanism of anthrax edema factor. EMBO J (2005) 1.53
Selective inhibition of anthrax edema factor by adefovir, a drug for chronic hepatitis B virus infection. Proc Natl Acad Sci U S A (2004) 1.46
Anthrax toxins induce shock in rats by depressed cardiac ventricular function. PLoS One (2007) 1.32
A Bacillus anthracis strain deleted for six proteases serves as an effective host for production of recombinant proteins. Protein Expr Purif (2011) 1.21
The adenylyl cyclase activity of anthrax edema factor. Mol Aspects Med (2009) 1.15
Protection against anthrax toxemia by hexa-D-arginine in vitro and in vivo. Infect Immun (2004) 1.10
Use of allostery to identify inhibitors of calmodulin-induced activation of Bacillus anthracis edema factor. Proc Natl Acad Sci U S A (2010) 1.08
Lethal and edema toxins in the pathogenesis of Bacillus anthracis septic shock: implications for therapy. Am J Respir Crit Care Med (2006) 1.08
Novel inhibitors of anthrax edema factor. Bioorg Med Chem (2008) 1.03
Anthrax edema toxin sensitizes DBA/2J mice to lethal toxin. Infect Immun (2007) 1.01
Bacillus anthracis edema toxin impairs neutrophil actin-based motility. Infect Immun (2009) 1.01
Comparison of three anthrax toxin neutralization assays. Clin Vaccine Immunol (2010) 0.92
Docking Screens for Novel Ligands Conferring New Biology. J Med Chem (2016) 0.90
A 1.3-A structure of zinc-bound N-terminal domain of calmodulin elucidates potential early ion-binding step. J Mol Biol (2007) 0.90
Mouse monoclonal antibodies to anthrax edema factor protect against infection. Infect Immun (2011) 0.88
Identification of Small Molecule Inhibitors of Clostridium perfringens ε-Toxin Cytotoxicity Using a Cell-Based High-Throughput Screen. Toxins (Basel) (2010) 0.88
Bacillus anthracis edema factor substrate specificity: evidence for new modes of action. Toxins (Basel) (2012) 0.87
Molecular motions as a drug target: mechanistic simulations of anthrax toxin edema factor function led to the discovery of novel allosteric inhibitors. Toxins (Basel) (2012) 0.87
Dual myxovirus screen identifies a small-molecule agonist of the host antiviral response. J Virol (2013) 0.86
Bis-halogen-anthraniloyl-substituted nucleoside 5'-triphosphates as potent and selective inhibitors of Bordetella pertussis adenylyl cyclase toxin. J Pharmacol Exp Ther (2010) 0.85
MyD88-dependent signaling protects against anthrax lethal toxin-induced impairment of intestinal barrier function. Infect Immun (2010) 0.84
Contributions of edema factor and protective antigen to the induction of protective immunity by Bacillus anthracis edema toxin as an intranasal adjuvant. J Immunol (2010) 0.81
Anthrax edema toxin impairs clearance in mice. Infect Immun (2011) 0.81
Designing inhibitors of anthrax toxin. Expert Opin Drug Discov (2014) 0.80
Statistical analysis, optimization, and prioritization of virtual screening parameters for zinc enzymes including the anthrax toxin lethal factor. Curr Top Med Chem (2014) 0.80
Effects of 39 Compounds on Calmodulin-Regulated Adenylyl Cyclases AC1 and Bacillus anthracis Edema Factor. PLoS One (2015) 0.77
Structural basis of anthrax edema factor neutralization by a neutralizing antibody. Biochem Biophys Res Commun (2011) 0.77
Peptide inhibitors MAP the way towards fighting anthrax pathogenesis. Biochem J (2006) 0.75
ZINC--a free database of commercially available compounds for virtual screening. J Chem Inf Model (2005) 16.75
Predicting new molecular targets for known drugs. Nature (2009) 9.71
Relating protein pharmacology by ligand chemistry. Nat Biotechnol (2007) 6.61
A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem (2002) 5.67
Benchmarking sets for molecular docking. J Med Chem (2006) 5.57
Geometric cues for directing the differentiation of mesenchymal stem cells. Proc Natl Acad Sci U S A (2010) 4.63
High-throughput assays for promiscuous inhibitors. Nat Chem Biol (2005) 4.32
A specific mechanism of nonspecific inhibition. J Med Chem (2003) 3.93
Large-scale prediction and testing of drug activity on side-effect targets. Nature (2012) 3.88
Prediction of protein-ligand interactions. Docking and scoring: successes and gaps. J Med Chem (2006) 3.85
Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs. J Mol Biol (2002) 3.71
Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin. Nature (2002) 3.67
Structure-based activity prediction for an enzyme of unknown function. Nature (2007) 3.65
Identification and prediction of promiscuous aggregating inhibitors among known drugs. J Med Chem (2003) 3.44
Structures of human insulin-degrading enzyme reveal a new substrate recognition mechanism. Nature (2006) 3.21
Peptide chips for the quantitative evaluation of protein kinase activity. Nat Biotechnol (2002) 3.05
Small-molecule aggregates inhibit amyloid polymerization. Nat Chem Biol (2008) 2.98
A high-throughput screen for aggregation-based inhibition in a large compound library. J Med Chem (2007) 2.97
Protein nanoarrays generated by dip-pen nanolithography. Science (2002) 2.95
A model binding site for testing scoring functions in molecular docking. J Mol Biol (2002) 2.94
Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking. J Med Chem (2012) 2.86
Gadd45 beta mediates the NF-kappa B suppression of JNK signalling by targeting MKK7/JNKK2. Nat Cell Biol (2004) 2.58
A detergent-based assay for the detection of promiscuous inhibitors. Nat Protoc (2006) 2.58
Circadian clock NAD+ cycle drives mitochondrial oxidative metabolism in mice. Science (2013) 2.49
Carbohydrate arrays for the evaluation of protein binding and enzymatic modification. Chem Biol (2002) 2.49
Structure-based discovery of beta2-adrenergic receptor ligands. Proc Natl Acad Sci U S A (2009) 2.48
Bacillus anthracis edema toxin causes extensive tissue lesions and rapid lethality in mice. Am J Pathol (2005) 2.45
Predicting absolute ligand binding free energies to a simple model site. J Mol Biol (2007) 2.19
Deconstructing fragment-based inhibitor discovery. Nat Chem Biol (2006) 2.19
Automated docking screens: a feasibility study. J Med Chem (2009) 2.14
Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B. J Med Chem (2002) 2.10
Ligand discovery from a dopamine D3 receptor homology model and crystal structure. Nat Chem Biol (2011) 2.10
Quantifying the relationships among drug classes. J Chem Inf Model (2008) 1.92
Structural bases of stability-function tradeoffs in enzymes. J Mol Biol (2002) 1.91
Anthrax toxins suppress T lymphocyte activation by disrupting antigen receptor signaling. J Exp Med (2005) 1.90
Kinase inhibitors: not just for kinases anymore. J Med Chem (2003) 1.90
Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J Mol Biol (2009) 1.90
Dynamic interfaces between cells and surfaces: electroactive substrates that sequentially release and attach cells. J Am Chem Soc (2003) 1.90
The Enzyme Function Initiative. Biochemistry (2011) 1.87
Predicting substrates by docking high-energy intermediates to enzyme structures. J Am Chem Soc (2006) 1.81
An ultrahigh resolution structure of TEM-1 beta-lactamase suggests a role for Glu166 as the general base in acylation. J Am Chem Soc (2002) 1.81
Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J Med Chem (2008) 1.81
Hierarchical docking of databases of multiple ligand conformations. Curr Top Med Chem (2005) 1.79
Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors. J Am Chem Soc (2008) 1.74
Spatial localization of bacteria controls coagulation of human blood by 'quorum acting'. Nat Chem Biol (2008) 1.74
Testing a flexible-receptor docking algorithm in a model binding site. J Mol Biol (2004) 1.73
A comparative analysis of localized and propagating surface plasmon resonance sensors: the binding of concanavalin a to a monosaccharide functionalized self-assembled monolayer. J Am Chem Soc (2004) 1.72
Structure-based discovery of A2A adenosine receptor ligands. J Med Chem (2010) 1.71
Information decay in molecular docking screens against holo, apo, and modeled conformations of enzymes. J Med Chem (2003) 1.70
Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase. Structure (2002) 1.70
Promiscuous aggregate-based inhibitors promote enzyme unfolding. J Med Chem (2009) 1.68
Rapid context-dependent ligand desolvation in molecular docking. J Chem Inf Model (2010) 1.66
Quantifying biogenic bias in screening libraries. Nat Chem Biol (2009) 1.66
A pharmacological organization of G protein-coupled receptors. Nat Methods (2013) 1.65
Selective immobilization of proteins to self-assembled monolayers presenting active site-directed capture ligands. Proc Natl Acad Sci U S A (2002) 1.63
Protein-protein docking with multiple residue conformations and residue substitutions. Protein Sci (2002) 1.61
Electrochemical desorption of self-assembled monolayers noninvasively releases patterned cells from geometrical confinements. J Am Chem Soc (2003) 1.60
Molecular docking and ligand specificity in fragment-based inhibitor discovery. Nat Chem Biol (2009) 1.60
Structural and mechanistic insights into the activation of Stromal interaction molecule 1 (STIM1). Proc Natl Acad Sci U S A (2012) 1.59
Anthrax edema toxin cooperates with lethal toxin to impair cytokine secretion during infection of dendritic cells. J Immunol (2005) 1.59
Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J Mol Biol (2008) 1.57
Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J Med Chem (2010) 1.54
Structural milestones in the reaction pathway of an amide hydrolase: substrate, acyl, and product complexes of cephalothin with AmpC beta-lactamase. Structure (2002) 1.54
Calcium-independent calmodulin binding and two-metal-ion catalytic mechanism of anthrax edema factor. EMBO J (2005) 1.53
SAICAR stimulates pyruvate kinase isoform M2 and promotes cancer cell survival in glucose-limited conditions. Science (2012) 1.52
Soft docking and multiple receptor conformations in virtual screening. J Med Chem (2004) 1.47
Docking and chemoinformatic screens for new ligands and targets. Curr Opin Biotechnol (2009) 1.47
In silico molecular comparisons of C. elegans and mammalian pharmacology identify distinct targets that regulate feeding. PLoS Biol (2013) 1.47
Functional annotation and three-dimensional structure of Dr0930 from Deinococcus radiodurans, a close relative of phosphotriesterase in the amidohydrolase superfamily. Biochemistry (2009) 1.47
Transplantation of endothelial progenitor cells accelerates dermal wound healing with increased recruitment of monocytes/macrophages and neovascularization. Stem Cells (2005) 1.46
Virtual screening against metalloenzymes for inhibitors and substrates. Biochemistry (2005) 1.46
Selective inhibition of anthrax edema factor by adefovir, a drug for chronic hepatitis B virus infection. Proc Natl Acad Sci U S A (2004) 1.46
Phosphorylation of FADD at serine 194 by CKIalpha regulates its nonapoptotic activities. Mol Cell (2005) 1.45
Structure-based approach for binding site identification on AmpC beta-lactamase. J Med Chem (2002) 1.45
Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem (2010) 1.45
Anthrax edema toxin inhibits endothelial cell chemotaxis via Epac and Rap1. J Biol Chem (2007) 1.44
Decoys for docking. J Med Chem (2005) 1.43
Synergy and antagonism of promiscuous inhibition in multiple-compound mixtures. J Med Chem (2006) 1.42
Nanomolar inhibitors of AmpC beta-lactamase. J Am Chem Soc (2003) 1.41
Structure of substrate-free human insulin-degrading enzyme (IDE) and biophysical analysis of ATP-induced conformational switch of IDE. J Biol Chem (2007) 1.41
Antiinflammatory cAMP signaling and cell migration genes co-opted by the anthrax bacillus. Proc Natl Acad Sci U S A (2008) 1.39
Structural basis for imipenem inhibition of class C beta-lactamases. Antimicrob Agents Chemother (2002) 1.39
Stability and equilibria of promiscuous aggregates in high protein milieus. Mol Biosyst (2007) 1.38
Probing protein-carbohydrate interactions with microarrays of synthetic oligosaccharides. Chembiochem (2004) 1.38
Chemical informatics and target identification in a zebrafish phenotypic screen. Nat Chem Biol (2011) 1.37
Chemical screening by mass spectrometry to identify inhibitors of anthrax lethal factor. Nat Biotechnol (2004) 1.37
Identifying mechanism-of-action targets for drugs and probes. Proc Natl Acad Sci U S A (2012) 1.36
Anthrax toxin-induced shock in rats is associated with pulmonary edema and hemorrhage. Microb Pathog (2007) 1.36
Molecular docking screens using comparative models of proteins. J Chem Inf Model (2009) 1.36
Designed inhibitors of insulin-degrading enzyme regulate the catabolism and activity of insulin. PLoS One (2010) 1.35
Structural consequences of the inhibitor-resistant Ser130Gly substitution in TEM beta-lactamase. Biochemistry (2005) 1.32
Anthrax toxins induce shock in rats by depressed cardiac ventricular function. PLoS One (2007) 1.32
Molecular bases for the recognition of short peptide substrates and cysteine-directed modifications of human insulin-degrading enzyme. Biochemistry (2008) 1.31
The chemical basis of pharmacology. Biochemistry (2010) 1.30