Characterization and inhibitor discovery of one novel malonyl-CoA: acyl carrier protein transacylase (MCAT) from Helicobacter pylori.

Recent advances in the chemistry and biology of naturally occurring antibiotics. Angew Chem Int Ed Engl (2009) 1.39

Antibacterial targets in fatty acid biosynthesis. Curr Opin Microbiol (2007) 1.37

Malonyl-CoA: acyl carrier protein transacylase from Helicobacter pylori: Crystal structure and its interaction with acyl carrier protein. Protein Sci (2007) 1.04

Crystal structure of the acyltransferase domain of the iterative polyketide synthase in enediyne biosynthesis. J Biol Chem (2012) 0.97

The catalytic intermediate stabilized by a "down" active site loop for diaminopimelate decarboxylase from Helicobacter pylori. Enzymatic characterization with crystal structure analysis. J Biol Chem (2008) 0.84

Structure of Mycobacterium tuberculosis mtFabD, a malonyl-CoA:acyl carrier protein transacylase (MCAT). Acta Crystallogr Sect F Struct Biol Cryst Commun (2007) 0.82

Multivariate PLS Modeling of Apicomplexan FabD-Ligand Interaction Space for Mapping Target-Specific Chemical Space and Pharmacophore Fingerprints. PLoS One (2015) 0.75

Sphingosine-1-phosphate is a missing cofactor for the E3 ubiquitin ligase TRAF2. Nature (2010) 3.59

Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex. Science (2013) 3.17

Predicting protein-protein interactions based only on sequences information. Proc Natl Acad Sci U S A (2007) 3.06

Racial/ethnic differences in hypertension and hypertension treatment and control in the multi-ethnic study of atherosclerosis (MESA). Am J Hypertens (2004) 2.88

Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases. Science (2011) 2.52

Thymine DNA glycosylase specifically recognizes 5-carboxylcytosine-modified DNA. Nat Chem Biol (2012) 2.45

PDTD: a web-accessible protein database for drug target identification. BMC Bioinformatics (2008) 2.35

TarFisDock: a web server for identifying drug targets with docking approach. Nucleic Acids Res (2006) 2.26

Sexually transmitted disease prevalence and characteristics of market vendors in eastern China. Sex Transm Dis (2003) 2.02

The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active site. Nat Struct Mol Biol (2010) 1.98

Structural basis for molecular recognition at serotonin receptors. Science (2013) 1.86

Identification of influenza A nucleoprotein as an antiviral target. Nat Biotechnol (2010) 1.71

Mechanically induced titin kinase activation studied by force-probe molecular dynamics simulations. Biophys J (2004) 1.70

Halogen bonding--a novel interaction for rational drug design? J Med Chem (2009) 1.68

Maintenance of heartburn relief after step-down from twice-daily proton pump inhibitor to once-daily dexlansoprazole modified release. Clin Gastroenterol Hepatol (2011) 1.54

A nonproton ligand sensor in the acid-sensing ion channel. Neuron (2010) 1.52

PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. Nucleic Acids Res (2010) 1.50

Crystal structures of 7-methylguanosine 5'-triphosphate (m(7)GTP)- and P(1)-7-methylguanosine-P(3)-adenosine-5',5'-triphosphate (m(7)GpppA)-bound human full-length eukaryotic initiation factor 4E: biological importance of the C-terminal flexible region. Biochem J (2002) 1.47

Structural basis for the regulation of cysteine-protease activity by a new class of protease inhibitors in Plasmodium. Structure (2011) 1.46

A nonpeptidic agonist of glucagon-like peptide 1 receptors with efficacy in diabetic db/db mice. Proc Natl Acad Sci U S A (2007) 1.43

Withdrawing PPI therapy after healing esophagitis does not worsen symptoms or cause persistent hypergastrinemia: analysis of dexlansoprazole MR clinical trial data. Am J Gastroenterol (2011) 1.39

Crystal structure of HAb18G/CD147: implications for immunoglobulin superfamily homophilic adhesion. J Biol Chem (2008) 1.38

Structural features of human initiation factor 4E, studied by X-ray crystal analyses and molecular dynamics simulations. J Mol Biol (2003) 1.37

A yeast two-hybrid technology-based system for the discovery of PPARgamma agonist and antagonist. Anal Biochem (2004) 1.29

Conformational transition of amyloid beta-peptide. Proc Natl Acad Sci U S A (2005) 1.28

Structure-based discovery of inhibitors of the YycG histidine kinase: new chemical leads to combat Staphylococcus epidermidis infections. BMC Microbiol (2006) 1.27

[6]-Gingerol suppresses colon cancer growth by targeting leukotriene A4 hydrolase. Cancer Res (2009) 1.26

Molecular basis of the interaction of Saccharomyces cerevisiae Eaf3 chromo domain with methylated H3K36. J Biol Chem (2008) 1.26

Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation. Protein Sci (2006) 1.25

Virtual screening on natural products for discovering active compounds and target information. Curr Med Chem (2003) 1.25

Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition. PLoS Pathog (2011) 1.25

Grade 4 events are as important as AIDS events in the era of HAART. J Acquir Immune Defic Syndr (2003) 1.21

Potent taccalonolides, AF and AJ, inform significant structure-activity relationships and tubulin as the binding site of these microtubule stabilizers. J Am Chem Soc (2011) 1.20

The spike protein of severe acute respiratory syndrome (SARS) is cleaved in virus infected Vero-E6 cells. Cell Res (2004) 1.18

Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance. Proc Natl Acad Sci U S A (2012) 1.18

Inherent dynamics of the acid-sensing ion channel 1 correlates with the gating mechanism. PLoS Biol (2009) 1.17

Enterovirus 71 and coxsackievirus A16 3C proteases: binding to rupintrivir and their substrates and anti-hand, foot, and mouth disease virus drug design. J Virol (2011) 1.16

Moyamoya disease in China: its clinical features and outcomes. Stroke (2011) 1.16

Cinanserin is an inhibitor of the 3C-like proteinase of severe acute respiratory syndrome coronavirus and strongly reduces virus replication in vitro. J Virol (2005) 1.15

Quorum-sensing agr mediates bacterial oxidation response via an intramolecular disulfide redox switch in the response regulator AgrA. Proc Natl Acad Sci U S A (2012) 1.11

Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ). J Biol Chem (2007) 1.11

Arctigenin effectively ameliorates memory impairment in Alzheimer's disease model mice targeting both β-amyloid production and clearance. J Neurosci (2013) 1.10

pH-dependent conformational flexibility of the SARS-CoV main proteinase (M(pro)) dimer: molecular dynamics simulations and multiple X-ray structure analyses. J Mol Biol (2005) 1.09

Structural basis for mRNA Cap-Binding regulation of eukaryotic initiation factor 4E by 4E-binding protein, studied by spectroscopic, X-ray crystal structural, and molecular dynamics simulation methods. Biochim Biophys Acta (2005) 1.09

A new dolabellane diterpenoid from the Hainan soft coral Spongodes sp. Nat Prod Res (2007) 1.09

Structural and functional characterization of Falcipain-2, a hemoglobinase from the malarial parasite Plasmodium falciparum. J Biol Chem (2006) 1.09

Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study. J Am Chem Soc (2005) 1.07

AL3810, a multi-tyrosine kinase inhibitor, exhibits potent anti-angiogenic and anti-tumour activity via targeting VEGFR, FGFR and PDGFR. J Cell Mol Med (2012) 1.06

Ligand-binding regulation of LXR/RXR and LXR/PPAR heterodimerizations: SPR technology-based kinetic analysis correlated with molecular dynamics simulation. Protein Sci (2005) 1.06

Induced-fit or preexisting equilibrium dynamics? Lessons from protein crystallography and MD simulations on acetylcholinesterase and implications for structure-based drug design. Protein Sci (2008) 1.05

Identification of novel small-molecule inhibitors of severe acute respiratory syndrome-associated coronavirus by chemical genetics. Chem Biol (2004) 1.05

Mechanics of channel gating of the nicotinic acetylcholine receptor. PLoS Comput Biol (2008) 1.05

ZFX knockdown inhibits growth and migration of non-small cell lung carcinoma cell line H1299. Int J Clin Exp Pathol (2013) 1.04

Malonyl-CoA: acyl carrier protein transacylase from Helicobacter pylori: Crystal structure and its interaction with acyl carrier protein. Protein Sci (2007) 1.04

Computational drug discovery. Acta Pharmacol Sin (2012) 1.04

Biological screening of natural products and drug innovation in China. Philos Trans R Soc Lond B Biol Sci (2007) 1.04

Nucleocapsid protein of SARS coronavirus tightly binds to human cyclophilin A. Biochem Biophys Res Commun (2004) 1.03

Extensive crosstalk between O-GlcNAcylation and phosphorylation regulates Akt signaling. PLoS One (2012) 1.03

Site of metabolism prediction for six biotransformations mediated by cytochromes P450. Bioinformatics (2009) 1.03

Two novel aromatic valerenane-type sesquiterpenes from the Chinese green alga Caulerpa taxifolia. Bioorg Med Chem Lett (2006) 1.02

Detailed mechanism for AmtB conducting NH4+/NH3: molecular dynamics simulations. Biophys J (2006) 1.02

Brownian dynamics simulations of the recognition of the scorpion toxin P05 with the small-conductance calcium-activated potassium channels. J Mol Biol (2002) 1.02

Aza analogues of equol: novel ligands for estrogen receptor beta. Bioorg Med Chem (2007) 1.02

Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis. Protein Sci (2008) 1.02

Mutation of Gly-11 on the dimer interface results in the complete crystallographic dimer dissociation of severe acute respiratory syndrome coronavirus 3C-like protease: crystal structure with molecular dynamics simulations. J Biol Chem (2007) 1.01

Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding. Sci Rep (2013) 1.01