Published in J Am Chem Soc on April 07, 2010
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A three-stage biophysical screening cascade for fragment-based drug discovery. Nat Protoc (2013) 0.94
Reaction intermediate analogues as bisubstrate inhibitors of pantothenate synthetase. Bioorg Med Chem (2014) 0.79
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A pantothenate auxotroph of Mycobacterium tuberculosis is highly attenuated and protects mice against tuberculosis. Nat Med (2002) 2.87
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Steady-state and pre-steady-state kinetic analysis of Mycobacterium tuberculosis pantothenate synthetase. Biochemistry (2001) 1.48
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Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase. Angew Chem Int Ed Engl (2009) 1.19
A novel inhibitor of Mycobacterium tuberculosis pantothenate synthetase. J Biomol Screen (2006) 1.14
Structure-activity relationships by interligand NOE-based design and synthesis of antiapoptotic compounds targeting Bid. Proc Natl Acad Sci U S A (2006) 1.13
Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate. Chembiochem (2008) 1.05
Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate. Protein Sci (2003) 1.04
A fragment-based approach for the discovery of isoform-specific p38alpha inhibitors. ACS Chem Biol (2007) 0.98
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Insights into DNA recombination from the structure of a RAD51-BRCA2 complex. Nature (2002) 4.22
High-throughput crystallography for lead discovery in drug design. Nat Rev Drug Discov (2002) 3.99
Heterogeneity and inaccuracy in protein structures solved by X-ray crystallography. Structure (2004) 3.32
Full-length archaeal Rad51 structure and mutants: mechanisms for RAD51 assembly and control by BRCA2. EMBO J (2003) 2.95
Is one solution good enough? Nat Struct Mol Biol (2006) 2.91
Tumor risks and genotype-phenotype-proteotype analysis in 358 patients with germline mutations in SDHB and SDHD. Hum Mutat (2010) 2.75
Microdroplets in microfluidics: an evolving platform for discoveries in chemistry and biology. Angew Chem Int Ed Engl (2010) 2.61
Knowledge-based real-space explorations for low-resolution structure determination. Structure (2006) 2.52
Nanomechanical detection of antibiotic-mucopeptide binding in a model for superbug drug resistance. Nat Nanotechnol (2008) 2.44
Crystallographic refinement by knowledge-based exploration of complex energy landscapes. Structure (2005) 2.42
Analysis of the thyrotropin receptor-thyrotropin interaction by comparative modeling. Thyroid (2004) 2.28
SDM--a server for predicting effects of mutations on protein stability and malfunction. Nucleic Acids Res (2011) 2.28
BUB1 and BUBR1: multifaceted kinases of the cell cycle. Trends Biochem Sci (2010) 1.99
Crystal structure of DNA-PKcs reveals a large open-ring cradle comprised of HEAT repeats. Nature (2009) 1.97
Structural basis of hepatocyte growth factor/scatter factor and MET signalling. Proc Natl Acad Sci U S A (2006) 1.85
Fragment-based approaches in drug discovery and chemical biology. Biochemistry (2012) 1.78
Sequence fingerprints in BRCA2 and RAD51: implications for DNA repair and cancer. DNA Repair (Amst) (2003) 1.72
pyDock: electrostatics and desolvation for effective scoring of rigid-body protein-protein docking. Proteins (2007) 1.69
mCSM: predicting the effects of mutations in proteins using graph-based signatures. Bioinformatics (2013) 1.69
Crystal structure of human XLF/Cernunnos reveals unexpected differences from XRCC4 with implications for NHEJ. EMBO J (2007) 1.66
Atomic interactions and profile of small molecules disrupting protein-protein interfaces: the TIMBAL database. Chem Biol Drug Des (2009) 1.64
Crystal structure of the TSH receptor in complex with a thyroid-stimulating autoantibody. Thyroid (2007) 1.64
Genome3D: a UK collaborative project to annotate genomic sequences with predicted 3D structures based on SCOP and CATH domains. Nucleic Acids Res (2012) 1.63
Static microdroplet arrays: a microfluidic device for droplet trapping, incubation and release for enzymatic and cell-based assays. Lab Chip (2008) 1.59
Structural biology and drug discovery. Drug Discov Today (2005) 1.59
Bromodomain-peptide displacement assays for interactome mapping and inhibitor discovery. Mol Biosyst (2011) 1.58
A novel type of deubiquitinating enzyme. J Biol Chem (2003) 1.57
Chimeric glycosyltransferases for the generation of hybrid glycopeptides. Chem Biol (2009) 1.57
The crystal structure of fibroblast growth factor (FGF) 19 reveals novel features of the FGF family and offers a structural basis for its unusual receptor affinity. Biochemistry (2004) 1.57
Ab initio construction of polypeptide fragments: efficient generation of accurate, representative ensembles. Proteins (2003) 1.56
Distinguishing structural and functional restraints in evolution in order to identify interaction sites. J Mol Biol (2004) 1.52
Functional map and domain structure of MET, the product of the c-met protooncogene and receptor for hepatocyte growth factor/scatter factor. Proc Natl Acad Sci U S A (2003) 1.42
Fragment-based approaches to enzyme inhibition. Curr Opin Biotechnol (2007) 1.37
Structural biology in fragment-based drug design. Curr Opin Struct Biol (2010) 1.36
Structural and functional constraints in the evolution of protein families. Nat Rev Mol Cell Biol (2009) 1.35
Targeting the von Hippel-Lindau E3 ubiquitin ligase using small molecules to disrupt the VHL/HIF-1α interaction. J Am Chem Soc (2012) 1.34
Biosynthesis of pantothenate. Nat Prod Rep (2004) 1.34
Dynamic control of Rad51 recombinase by self-association and interaction with BRCA2. Mol Cell (2003) 1.33
Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods. J Med Chem (2006) 1.31
On the origins of enzyme inhibitor selectivity and promiscuity: a case study of protein kinase binding to staurosporine. Chem Biol Drug Des (2009) 1.30
Crystal structure of folliculin reveals a hidDENN function in genetically inherited renal cancer. Open Biol (2012) 1.29
Development of quantitative cell-based enzyme assays in microdroplets. Anal Chem (2008) 1.29
Structural biology and drug discovery of difficult targets: the limits of ligandability. Chem Biol (2012) 1.27
One-step fabrication of supramolecular microcapsules from microfluidic droplets. Science (2012) 1.27
From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1. Angew Chem Int Ed Engl (2011) 1.26
Dissecting fragment-based lead discovery at the von Hippel-Lindau protein:hypoxia inducible factor 1α protein-protein interface. Chem Biol (2012) 1.26
A structural bioinformatics approach to the analysis of nonsynonymous single nucleotide polymorphisms (nsSNPs) and their relation to disease. J Bioinform Comput Biol (2007) 1.26
Continuous-flow polymerase chain reaction of single-copy DNA in microfluidic microdroplets. Anal Chem (2009) 1.19
Evidence that heparin saccharides promote FGF2 mitogenesis through two distinct mechanisms. J Biol Chem (2008) 1.19
Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase. EMBO J (2003) 1.19
Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase. Angew Chem Int Ed Engl (2009) 1.19
Andante: reducing side-chain rotamer search space during comparative modeling using environment-specific substitution probabilities. Bioinformatics (2007) 1.18
Structure of an Xrcc4-DNA ligase IV yeast ortholog complex reveals a novel BRCT interaction mode. DNA Repair (Amst) (2006) 1.18
Prediction by graph theoretic measures of structural effects in proteins arising from non-synonymous single nucleotide polymorphisms. PLoS Comput Biol (2008) 1.16
Conformer generation under restraints. Curr Opin Struct Biol (2006) 1.16
Coupling microdroplet microreactors with mass spectrometry: reading the contents of single droplets online. Angew Chem Int Ed Engl (2009) 1.15
Salicylate biosynthesis: overexpression, purification, and characterization of Irp9, a bifunctional salicylate synthase from Yersinia enterocolitica. J Bacteriol (2005) 1.15
Structural biology and drug discovery for protein-protein interactions. Trends Pharmacol Sci (2012) 1.15
Towards a resolution of the stoichiometry of the fibroblast growth factor (FGF)-FGF receptor-heparin complex. J Mol Biol (2004) 1.14
Controlling the retention of small molecules in emulsion microdroplets for use in cell-based assays. Anal Chem (2009) 1.13
Functional specificity of the Xenopus T-domain protein Brachyury is conferred by its ability to interact with Smad1. Dev Cell (2005) 1.13
Pathway-selective sensitization of Mycobacterium tuberculosis for target-based whole-cell screening. Chem Biol (2012) 1.13
An algorithm for predicting protein-protein interaction sites: Abnormally exposed amino acid residues and secondary structure elements. Protein Sci (2006) 1.12
Simultaneous determination of gene expression and enzymatic activity in individual bacterial cells in microdroplet compartments. J Am Chem Soc (2009) 1.11
Cockroach allergen Bla g 2: structure, function, and implications for allergic sensitization. Am J Respir Crit Care Med (2002) 1.11
BIPA: a database for protein-nucleic acid interaction in 3D structures. Bioinformatics (2009) 1.10
Biophysical and computational fragment-based approaches to targeting protein-protein interactions: applications in structure-guided drug discovery. Q Rev Biophys (2012) 1.09
Using a fragment-based approach to target protein-protein interactions. Chembiochem (2013) 1.09
Writing with DNA and protein using a nanopipet for controlled delivery. J Am Chem Soc (2002) 1.09
Cooperative dimerization of fibroblast growth factor 1 (FGF1) upon a single heparin saccharide may drive the formation of 2:2:1 FGF1.FGFR2c.heparin ternary complexes. J Biol Chem (2005) 1.08
Defining the molecular basis of BubR1 kinetochore interactions and APC/C-CDC20 inhibition. J Biol Chem (2010) 1.08
Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain. J Med Chem (2013) 1.08
Small-molecule inhibitors of the interaction between the E3 ligase VHL and HIF1α. Angew Chem Int Ed Engl (2012) 1.07
A reversible pH-driven DNA nanoswitch array. J Am Chem Soc (2006) 1.07
High-resolution crystal structure of the human Notch 1 ankyrin domain. Biochem J (2005) 1.06
An integrated device for monitoring time-dependent in vitro expression from single genes in picolitre droplets. Chembiochem (2008) 1.06
The crystal structure of the N-terminal region of BUB1 provides insight into the mechanism of BUB1 recruitment to kinetochores. Structure (2009) 1.05
Ulla: a program for calculating environment-specific amino acid substitution tables. Bioinformatics (2009) 1.05
Application of fragment screening and fragment linking to the discovery of novel thrombin inhibitors. J Med Chem (2006) 1.05
Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification. J R Soc Interface (2012) 1.05
Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate. Chembiochem (2008) 1.05
Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc Natl Acad Sci U S A (2013) 1.05
Structure of a Blinkin-BUBR1 complex reveals an interaction crucial for kinetochore-mitotic checkpoint regulation via an unanticipated binding Site. Structure (2011) 1.04
A double droplet trap system for studying mass transport across a droplet-droplet interface. Lab Chip (2010) 1.04
Surface-induced droplet fusion in microfluidic devices. Lab Chip (2007) 1.03
Crystal structure of rat liver betaine homocysteine s-methyltransferase reveals new oligomerization features and conformational changes upon substrate binding. J Mol Biol (2004) 1.03
From microdroplets to microfluidics: selective emulsion separation in microfluidic devices. Angew Chem Int Ed Engl (2008) 1.02
Non-homologous end-joining partners in a helical dance: structural studies of XLF-XRCC4 interactions. Biochem Soc Trans (2011) 1.02