Published in PLoS One on February 20, 2013
Drug repurposing and human parasitic protozoan diseases. Int J Parasitol Drugs Drug Resist (2014) 1.23
Kinase scaffold repurposing for neglected disease drug discovery: discovery of an efficacious, lapatinib-derived lead compound for trypanosomiasis. J Med Chem (2013) 1.10
Identification and characterization of hundreds of potent and selective inhibitors of Trypanosoma brucei growth from a kinase-targeted library screening campaign. PLoS Negl Trop Dis (2014) 1.00
Establishment of a structure-activity relationship of 1H-imidazo[4,5-c]quinoline-based kinase inhibitor NVP-BEZ235 as a lead for African sleeping sickness. J Med Chem (2014) 0.95
New chemical scaffolds for human african trypanosomiasis lead discovery from a screen of tyrosine kinase inhibitor drugs. Antimicrob Agents Chemother (2014) 0.90
Kinases as Druggable Targets in Trypanosomatid Protozoan Parasites. Chem Rev (2014) 0.83
Protozoan Parasite Growth Inhibitors Discovered by Cross-Screening Yield Potent Scaffolds for Lead Discovery. J Med Chem (2015) 0.78
Glycogen Synthase Kinase 3β Promotes the Endocytosis of Transferrin in the African Trypanosome. ACS Infect Dis (2016) 0.77
Novel Effects of Lapatinib Revealed in the African Trypanosome using Hypothesis-Generating Proteomics and Chemical Biology Strategies. Antimicrob Agents Chemother (2016) 0.75
Antiparasitic Lead Discovery: Toward Optimization of a Chemotype with Activity Against Multiple Protozoan Parasites. ACS Med Chem Lett (2017) 0.75
AEE788 Inhibits Basal Body Assembly and Blocks DNA Replication in the African Trypanosome. Mol Pharmacol (2017) 0.75
Discovery of a Carbazole-Derived Lead Drug for Human African Trypanosomiasis. Sci Rep (2016) 0.75
Optimization of physicochemical properties for 4-anilinoquinazoline inhibitors of trypanosome proliferation. Eur J Med Chem (2017) 0.75
A quantitative analysis of kinase inhibitor selectivity. Nat Biotechnol (2008) 14.74
Cell signaling by receptor tyrosine kinases. Cell (2010) 12.39
The genome of the African trypanosome Trypanosoma brucei. Science (2005) 11.48
Twilight zone of protein sequence alignments. Protein Eng (1999) 9.83
The genome sequence of Trypanosoma cruzi, etiologic agent of Chagas disease. Science (2005) 7.61
Quantitative chemical proteomics reveals mechanisms of action of clinical ABL kinase inhibitors. Nat Biotechnol (2007) 6.56
A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells. Cancer Res (2004) 6.53
Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins. J Mol Biol (1994) 6.41
Structures of lung cancer-derived EGFR mutants and inhibitor complexes: mechanism of activation and insights into differential inhibitor sensitivity. Cancer Cell (2007) 5.95
A guided tour of the Trans-Proteomic Pipeline. Proteomics (2010) 5.09
Mechanisms of disease: Oncogene addiction--a rationale for molecular targeting in cancer therapy. Nat Clin Pract Oncol (2006) 4.47
Computational Proteomics Analysis System (CPAS): an extensible, open-source analytic system for evaluating and publishing proteomic data and high throughput biological experiments. J Proteome Res (2006) 4.32
Anti-tumor activity of GW572016: a dual tyrosine kinase inhibitor blocks EGF activation of EGFR/erbB2 and downstream Erk1/2 and AKT pathways. Oncogene (2002) 3.87
A common signaling cascade may underlie "addiction" to the Src, BCR-ABL, and EGF receptor oncogenes. Cancer Cell (2006) 3.78
Role of tyrosine kinase inhibitors in cancer therapy. J Pharmacol Exp Ther (2005) 3.28
p107wee1 is a dual-specificity kinase that phosphorylates p34cdc2 on tyrosine 15. Proc Natl Acad Sci U S A (1992) 3.20
Human African trypanosomiasis: pharmacological re-engagement with a neglected disease. Br J Pharmacol (2007) 2.96
Comparative analysis of the kinomes of three pathogenic trypanosomatids: Leishmania major, Trypanosoma brucei and Trypanosoma cruzi. BMC Genomics (2005) 2.66
Src protein-tyrosine kinase structure and regulation. Biochem Biophys Res Commun (2004) 2.23
Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment. Structure (2011) 2.11
Phosphotyrosine signaling: evolving a new cellular communication system. Cell (2010) 2.09
Dyrk, a dual specificity protein kinase with unique structural features whose activity is dependent on tyrosine residues between subdomains VII and VIII. J Biol Chem (1996) 2.00
A comprehensive analysis of Trypanosoma brucei mitochondrial proteome. Proteomics (2009) 1.94
Cellular targets of gefitinib. Cancer Res (2005) 1.87
AEE788: a dual family epidermal growth factor receptor/ErbB2 and vascular endothelial growth factor receptor tyrosine kinase inhibitor with antitumor and antiangiogenic activity. Cancer Res (2004) 1.82
Protein kinase inhibitors: contributions from structure to clinical compounds. Q Rev Biophys (2009) 1.72
The phosphoproteome of bloodstream form Trypanosoma brucei, causative agent of African sleeping sickness. Mol Cell Proteomics (2009) 1.56
A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase. J Biol Chem (2004) 1.55
A mammalian dual specificity protein kinase, Nek1, is related to the NIMA cell cycle regulator and highly expressed in meiotic germ cells. EMBO J (1992) 1.49
Axenic culture of African trypanosome bloodstream forms. Parasitol Today (1994) 1.47
Prediction of the binding energy for small molecules, peptides and proteins. J Mol Recognit (2000) 1.46
Dual targeting of endothelial cells and pericytes in antivascular therapy for ovarian carcinoma. Clin Cancer Res (2007) 1.34
Homology modeling with internal coordinate mechanics: deformation zone mapping and improvements of models via conformational search. Proteins (1997) 1.32
Identification of a novel chromosomal passenger complex and its unique localization during cytokinesis in Trypanosoma brucei. PLoS One (2008) 1.26
The growth inhibitory effect of lapatinib, a dual inhibitor of EGFR and HER2 tyrosine kinase, in gastric cancer cell lines. Cancer Lett (2008) 1.23
Glycogen synthase kinase 3 is a potential drug target for African trypanosomiasis therapy. Antimicrob Agents Chemother (2008) 1.21
A sequential blockade strategy for the design of combination therapies to overcome oncogene addiction in chronic myelogenous leukemia. Cancer Res (2006) 1.18
PK12, a plant dual-specificity protein kinase of the LAMMER family, is regulated by the hormone ethylene. Plant Cell (1996) 1.16
Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modeling. Proteins (2011) 1.13
Epidermal growth factor receptor inhibitors in development for the treatment of non-small cell lung cancer. Clin Cancer Res (2006) 1.13
CI-1033, a pan-erbB tyrosine kinase inhibitor. Semin Oncol (2001) 1.13
Synergistic proapoptotic effects of the two tyrosine kinase inhibitors pazopanib and lapatinib on multiple carcinoma cell lines. Oncogene (2009) 1.11
The chromosomal passenger complex and a mitotic kinesin interact with the Tousled-like kinase in trypanosomes to regulate mitosis and cytokinesis. PLoS One (2008) 1.10
New developments in human African trypanosomiasis. Curr Opin Infect Dis (2006) 1.07
Identification and specific localization of tyrosine-phosphorylated proteins in Trypanosoma brucei. Eukaryot Cell (2009) 1.06
Administration of CI-1033, an irreversible pan-erbB tyrosine kinase inhibitor, is feasible on a 7-day on, 7-day off schedule: a phase I pharmacokinetic and food effect study. Clin Cancer Res (2004) 1.01
The STK2 gene, which encodes a putative Ser/Thr protein kinase, is required for high-affinity spermidine transport in Saccharomyces cerevisiae. Mol Cell Biol (1997) 1.00
Lessons from the drug discovery of lapatinib, a dual ErbB1/2 tyrosine kinase inhibitor. Curr Top Med Chem (2006) 0.99
Casein kinase 1 isoform 2 is essential for bloodstream form Trypanosoma brucei. Mol Biochem Parasitol (2009) 0.99
Experiment-specific estimation of peptide identification probabilities using a randomized database. OMICS (2007) 0.94
Transferrin is a growth factor for the bloodstream form of Trypanosoma brucei. Parasitol Res (1991) 0.94
The purinome, a complex mix of drug and toxicity targets. Curr Top Med Chem (2006) 0.93
Tyrosine kinase inhibitors. 18. 6-Substituted 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as soluble, irreversible inhibitors of the epidermal growth factor receptor. J Med Chem (2001) 0.93
AEE788, a dual tyrosine kinase receptor inhibitor, induces endothelial cell apoptosis in human cutaneous squamous cell carcinoma xenografts in nude mice. Clin Cancer Res (2005) 0.92
dDYRK2: a novel dual-specificity tyrosine-phosphorylation-regulated kinase in Drosophila. Biochem J (2003) 0.92
Stk10, a new member of the polo-like kinase kinase family highly expressed in hematopoietic tissue. J Biol Chem (2003) 0.89
A randomized, phase II, dose-finding study of the pan-ErbB receptor tyrosine-kinase inhibitor CI-1033 in patients with pretreated metastatic breast cancer. Cancer Chemother Pharmacol (2009) 0.87
Interferon-gamma induces secretion of trypanosome lymphocyte triggering factor via tyrosine protein kinases. Parasitology (2000) 0.86
Glycosylphosphatidylinositol-specific phospholipase C regulates transferrin endocytosis in the African trypanosome. Biochem J (2009) 0.84
Design of EGFR kinase inhibitors: a ligand-based approach and its confirmation with structure-based studies. Bioorg Med Chem (2003) 0.83
Diacylglycerol-stimulated endocytosis of transferrin in trypanosomatids is dependent on tyrosine kinase activity. PLoS One (2010) 0.83
Dual EGFR/ErbB-2 inhibitors from novel pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidines. Bioorg Med Chem Lett (2008) 0.81
An overview of the qualitative analysis of phosphoproteins by mass spectrometry. Methods Mol Biol (2009) 0.79
Chemoproteomic characterization of protein kinase inhibitors using immobilized ATP. Methods Mol Biol (2012) 0.78
AEE788 is a vascular endothelial growth factor receptor tyrosine kinase inhibitor with antiproliferative and proapoptotic effects in acute myeloid leukemia. Exp Hematol (2010) 0.78
The pan-ErbB receptor tyrosine kinase inhibitor canertinib induces ErbB-independent apoptosis in human leukemia (HL-60 and U-937) cells. Biochem Biophys Res Commun (2010) 0.77
Assignment of the bovine receptor-interacting serine-threonine kinase 2 gene (RIPK2) to BTA14 with somatic and radiation cell hybrids. Cytogenet Genome Res (2006) 0.77
Installation and use of the Computational Proteomics Analysis System (CPAS). Curr Protoc Bioinformatics (2007) 0.77
Evidence of tyrosine kinase activity in the protozoan parasite Trypanosoma brucei. J Protozool (1992) 0.76
XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. Anal Chem (2006) 15.00
Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science (2010) 10.30
METLIN: a metabolite mass spectral database. Ther Drug Monit (2005) 10.15
Sirtuin 2 inhibitors rescue alpha-synuclein-mediated toxicity in models of Parkinson's disease. Science (2007) 5.49
A combined transcriptome and proteome survey of malaria parasite liver stages. Proc Natl Acad Sci U S A (2008) 3.56
Structure of the human histamine H1 receptor complex with doxepin. Nature (2011) 3.48
Virtual ligand screening of the p300/CBP histone acetyltransferase: identification of a selective small molecule inhibitor. Chem Biol (2010) 3.38
Comparative study of several algorithms for flexible ligand docking. J Comput Aided Mol Des (2003) 3.29
Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex. Science (2013) 3.17
Pocketome via comprehensive identification and classification of ligand binding envelopes. Mol Cell Proteomics (2005) 2.83
Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography. J Am Chem Soc (2010) 2.62
Flexible ligand docking to multiple receptor conformations: a practical alternative. Curr Opin Struct Biol (2008) 2.38
Transport and release of chemicals from plastics to the environment and to wildlife. Philos Trans R Soc Lond B Biol Sci (2009) 2.27
Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment. Structure (2011) 2.11
Analysis of full and partial agonists binding to beta2-adrenergic receptor suggests a role of transmembrane helix V in agonist-specific conformational changes. J Mol Recognit (2009) 2.05
Nuclear hormone receptor targeted virtual screening. J Med Chem (2003) 2.05
The emerging mutational landscape of G proteins and G-protein-coupled receptors in cancer. Nat Rev Cancer (2013) 2.05
A comprehensive analysis of Trypanosoma brucei mitochondrial proteome. Proteomics (2009) 1.94
Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. J Med Chem (2010) 1.88
Mitochondrial complexes in Trypanosoma brucei: a novel complex and a unique oxidoreductase complex. Mol Cell Proteomics (2007) 1.81
Identification of protein-protein interaction sites from docking energy landscapes. J Mol Biol (2004) 1.79
The liganding of glycolipid transfer protein is controlled by glycolipid acyl structure. PLoS Biol (2006) 1.70
Optimal docking area: a new method for predicting protein-protein interaction sites. Proteins (2005) 1.69
ADP_EM: fast exhaustive multi-resolution docking for high-throughput coverage. Bioinformatics (2006) 1.68
Statistical analysis and prediction of protein-protein interfaces. Proteins (2005) 1.65
ICM-DISCO docking by global energy optimization with fully flexible side-chains. Proteins (2003) 1.63
Soft protein-protein docking in internal coordinates. Protein Sci (2002) 1.60
GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex. Proteins (2010) 1.57
Match-only integral distribution (MOID) algorithm for high-density oligonucleotide array analysis. BMC Bioinformatics (2002) 1.56
Disseminating structural genomics data to the public: from a data dump to an animated story. Trends Biochem Sci (2006) 1.55
Four-dimensional docking: a fast and accurate account of discrete receptor flexibility in ligand docking. J Med Chem (2009) 1.54
Discovery of diverse thyroid hormone receptor antagonists by high-throughput docking. Proc Natl Acad Sci U S A (2003) 1.53
Excess polymorphisms in genes for membrane proteins in Plasmodium falciparum. Science (2002) 1.52
The GPCR Network: a large-scale collaboration to determine human GPCR structure and function. Nat Rev Drug Discov (2012) 1.50
Identifying conformational changes of the beta(2) adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators. J Comput Aided Mol Des (2009) 1.48
Post-translational import of protein into the endoplasmic reticulum of a trypanosome: an in vitro system for discovery of anti-trypanosomal chemical entities. Biochem J (2009) 1.46
Chronic fatigue syndrome: diagnosis and treatment. Am Fam Physician (2012) 1.45
Trypanosoma brucei mitochondrial ribosomes: affinity purification and component identification by mass spectrometry. Mol Cell Proteomics (2008) 1.44
Comprehensive identification of "druggable" protein ligand binding sites. Genome Inform (2004) 1.42
Type-II kinase inhibitor docking, screening, and profiling using modified structures of active kinase states. J Med Chem (2008) 1.38
Docking and scoring with ICM: the benchmarking results and strategies for improvement. J Comput Aided Mol Des (2012) 1.34
Structure based prediction of subtype-selectivity for adenosine receptor antagonists. Neuropharmacology (2010) 1.31
Ab initio prediction of peptide-MHC binding geometry for diverse class I MHC allotypes. Proteins (2006) 1.29
Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands. J Med Chem (2009) 1.28
A new method for publishing three-dimensional content. PLoS One (2009) 1.23
Refinement of glucagon-like peptide 1 docking to its intact receptor using mid-region photolabile probes and molecular modeling. J Biol Chem (2011) 1.22
PIER: protein interface recognition for structural proteomics. Proteins (2007) 1.22
Pocketome: an encyclopedia of small-molecule binding sites in 4D. Nucleic Acids Res (2011) 1.21
Small molecules block the polymerization of Z alpha1-antitrypsin and increase the clearance of intracellular aggregates. J Med Chem (2007) 1.21
Predictions of protein flexibility: first-order measures. Proteins (2004) 1.21
Tyrosine phosphorylation of the Gα-interacting protein GIV promotes activation of phosphoinositide 3-kinase during cell migration. Sci Signal (2011) 1.20
3-Hydroxyanthranilic acid inhibits PDK1 activation and suppresses experimental asthma by inducing T cell apoptosis. Proc Natl Acad Sci U S A (2007) 1.20
The distinct proteome of placental malaria parasites. Mol Biochem Parasitol (2007) 1.19
Recipes for the selection of experimental protein conformations for virtual screening. J Chem Inf Model (2010) 1.17
Molecular approximations between residues 21 and 23 of secretin and its receptor: development of a model for peptide docking with the amino terminus of the secretin receptor. Mol Pharmacol (2007) 1.16
Structural model of nicotinic acetylcholine receptor isotypes bound to acetylcholine and nicotine. BMC Struct Biol (2002) 1.14
Mapping spatial approximations between the amino terminus of secretin and each of the extracellular loops of its receptor using cysteine trapping. FASEB J (2012) 1.13
Structure-based discovery of natural-product-like TNF-α inhibitors. Angew Chem Int Ed Engl (2010) 1.13
Functional importance of a structurally distinct homodimeric complex of the family B G protein-coupled secretin receptor. Mol Pharmacol (2009) 1.12
Consistent improvement of cross-docking results using binding site ensembles generated with elastic network normal modes. J Chem Inf Model (2009) 1.11
The flexible pocketome engine for structural chemogenomics. Methods Mol Biol (2009) 1.11
Structure-guided design and immunological characterization of immunogens presenting the HIV-1 gp120 V3 loop on a CTB scaffold. Virology (2010) 1.10
Kinase scaffold repurposing for neglected disease drug discovery: discovery of an efficacious, lapatinib-derived lead compound for trypanosomiasis. J Med Chem (2013) 1.10
FRODOCK: a new approach for fast rotational protein-protein docking. Bioinformatics (2009) 1.09
Defining the CD59-C9 binding interaction. J Biol Chem (2006) 1.09
Viral infection controlled by a calcium-dependent lipid-binding module in ALIX. Dev Cell (2013) 1.07
A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE). J Comput Aided Mol Des (2008) 1.07
A metal-based inhibitor of tumor necrosis factor-α. Angew Chem Int Ed Engl (2012) 1.06
Molecular basis of secretin docking to its intact receptor using multiple photolabile probes distributed throughout the pharmacophore. J Biol Chem (2011) 1.06
Spatial approximation between secretin residue five and the third extracellular loop of its receptor provides new insight into the molecular basis of natural agonist binding. Mol Pharmacol (2008) 1.06
Determinants of retinoid X receptor transcriptional antagonism. J Med Chem (2004) 1.05
SGC--structural biology and human health: a new approach to publishing structural biology results. PLoS One (2009) 1.02
Protein-RNA and protein-protein recognition by dual KH1/2 domains of the neuronal splicing factor Nova-1. Structure (2011) 1.01
Secretin occupies a single protomer of the homodimeric secretin receptor complex: insights from photoaffinity labeling studies using dual sites of covalent attachment. J Biol Chem (2010) 1.01
Vaccinia virus virulence factor N1L is a novel promising target for antiviral therapeutic intervention. J Med Chem (2010) 1.00
Systematic exploitation of multiple receptor conformations for virtual ligand screening. PLoS One (2011) 0.99
Predicting pK(a) values of substituted phenols from atomic charges: comparison of different quantum mechanical methods and charge distribution schemes. J Chem Inf Model (2011) 0.99
ICFF: a new method to incorporate implicit flexibility into an internal coordinate force field. J Comput Chem (2003) 0.99
Three-dimensional structure of the EphB2 receptor in complex with an antagonistic peptide reveals a novel mode of inhibition. J Biol Chem (2007) 0.98
Organic micropollutants in marine plastics debris from the open ocean and remote and urban beaches. Mar Pollut Bull (2011) 0.97
Improving CAPRI predictions: optimized desolvation for rigid-body docking. Proteins (2005) 0.97
T. gondii RP promoters & knockdown reveal molecular pathways associated with proliferation and cell-cycle arrest. PLoS One (2010) 0.96
Fluorescence resonance energy transfer analysis of secretin docking to its receptor: mapping distances between residues distributed throughout the ligand pharmacophore and distinct receptor residues. J Biol Chem (2007) 0.96
The transthyretin-related protein family. Eur J Biochem (2003) 0.96
Long chain amines and long chain ammonium salts as novel inhibitors of dynamin GTPase activity. Bioorg Med Chem Lett (2004) 0.95
ALiBERO: evolving a team of complementary pocket conformations rather than a single leader. J Chem Inf Model (2012) 0.94
Ligand-guided receptor optimization. Methods Mol Biol (2012) 0.94
Insights into the human CD59 complement binding interface toward engineering new therapeutics. J Biol Chem (2005) 0.94
Pivotal role of P450-P450 interactions in CYP3A4 allostery: the case of α-naphthoflavone. Biochem J (2013) 0.93
GPCR agonist binding revealed by modeling and crystallography. Trends Pharmacol Sci (2011) 0.93
Structure-based ligand discovery targeting orthosteric and allosteric pockets of dopamine receptors. Mol Pharmacol (2013) 0.93