Research Topics
Species | Roman A LaskowskiSummaryAffiliation: Wellcome Trust Genome Campus Country: UK Publications
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Detail Information
Publications
1,000 structures and more from the MCSGDavid Lee
Department of Structural and Molecular Biology, University College London, Darwin Building, Gower Street, London WC1E 6BT, UK
BMC Struct Biol 11:2. 2011..Structures of unknown function have stimulated the development of methods for function prediction from structure...
Protein structure databasesRoman A Laskowski
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge, CB10 1SD, UK
Mol Biotechnol 48:183-98. 2011..Beyond these there are a vast number of databases for the most specialized user, dealing with specific families, diseases, structural features and so on...
PDBsum more: new summaries and analyses of the known 3D structures of proteins and nucleic acidsRoman A Laskowski
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Nucleic Acids Res 33:D266-8. 2005..In the past year, the database has been significantly improved, in terms of both appearance and new content. Moreover, it has moved to its new address at http://www.ebi.ac.uk/thornton-srv/databases/pdbsum...
LigPlot+: multiple ligand-protein interaction diagrams for drug discoveryRoman A Laskowski
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom
J Chem Inf Model 51:2778-86. 2011....
Enhancing the functional annotation of PDB structures in PDBsum using key figures extracted from the literatureRoman A Laskowski
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Bioinformatics 23:1824-7. 2007..Usually the best source of this information is the original article describing it, and it is often possible to discern the key aspects of the structure from just one or two of the figures in that article...
Understanding the molecular machinery of genetics through 3D structuresRoman A Laskowski
European Bioinformatics Institute, European Molecular Biology Laboratory, Wellcome Trust Genome Campus, Hinxton, Cambridge, CB10 1SD, UK
Nat Rev Genet 9:141-51. 2008..Finally, we describe how structure determination is benefiting from the high-throughput technologies of the worldwide structural genomics projects...
PDBsum new thingsRoman A Laskowski
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Nucleic Acids Res 37:D355-9. 2009..Furthermore, it now accepts users' own PDB format files and generates a private set of analyses for each uploaded structure...
The structural basis of allosteric regulation in proteinsRoman A Laskowski
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom
FEBS Lett 583:1692-8. 2009..Here we review how analyses of experimentally determined models of protein 3D structures, using either X-ray crystallography or NMR spectroscopy, have revealed some of the mechanisms involved...
The fine details of evolutionRoman A Laskowski
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Biochem Soc Trans 37:723-6. 2009..The talks reported on some of the insights into evolution which have been obtained from the study of protein sequences, structures and systems...
ProFunc: a server for predicting protein function from 3D structureRoman A Laskowski
European Bioinformatics Institute Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Nucleic Acids Res 33:W89-93. 2005..It provides a convenient compendium of sequence and structural information that often hold vital functional clues to be followed up experimentally...
Towards fully automated structure-based function prediction in structural genomics: a case studyJames D Watson
EMBL European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
J Mol Biol 367:1511-22. 2007..We present a method based on the Gene Ontology (GO) schema using GO-slims that can allow the automated assessment of hits with a success rate approaching that of expert manual assessment...
Target selection and determination of function in structural genomicsJames D Watson
EMBL-European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
IUBMB Life 55:249-55. 2003....
On the diversity of physicochemical environments experienced by identical ligands in binding pockets of unrelated proteinsAbdullah Kahraman
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, United Kingdom
Proteins 78:1120-36. 2010..The presented results highlight the complexities of molecular recognition and underline the challenges of computational structural biology in developing methods to detect these important subtleties...
Protein structure databasesRoman A Laskowski
EMBL European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge, UK
Methods Mol Biol 609:59-82. 2010..Beyond these there are a vast number of databases for the more specialized user, dealing with specific families, diseases, structural features, and so on...
Predicting protein function from sequence and structural dataJames D Watson
EMBL European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Curr Opin Struct Biol 15:275-84. 2005..Several automated servers that integrate evidence from multiple sources have been released this year and particular improvements have been seen with methods utilizing the Gene Ontology functional annotation schema...
A method for localizing ligand binding pockets in protein structuresFabian Glaser
European Bioinformatics Institute, European Molecular Biology Laboratory, Wellcome Trust Genome Campus, Hinxton, Cambridge, United Kingdom
Proteins 62:479-88. 2006..We also show that this approach works better for enzymes than for nonenzyme proteins...
Shape variation in protein binding pockets and their ligandsAbdullah Kahraman
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire, CB10 1SD, UK
J Mol Biol 368:283-301. 2007..Additionally, we observe a "buffer zone" or a region of free space between the ligand and protein, which results in binding pockets being on average three times larger than the ligand that they bind...
From protein structure to biochemical function?Roman A Laskowski
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
J Struct Funct Genomics 4:167-77. 2003..Here we present three examples, using structures solved by the Midwest Center for Structural Genomics consortium, illustrating the strengths and weaknesses of current approaches...
WSsas: a web service for the annotation of functional residues through structural homologuesDavid Talavera
EMBL EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Bioinformatics 25:1192-4. 2009..In addition, WSsas can supply information about the relevant functional atoms. The web service definition (WSDL) file and a Perl client are freely available at http://www.ebi.ac.uk/thornton-srv/databases/WSsas/...
Exploring the evolution of novel enzyme functions within structurally defined protein superfamiliesNicholas Furnham
EMBL EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge, United Kingdom
PLoS Comput Biol 8:e1002403. 2012..This reinforces the hypothesis that relatively few ancient enzymatic domain superfamilies were progenitors for most of the chemistry required for life...
FunTree: a resource for exploring the functional evolution of structurally defined enzyme superfamiliesNicholas Furnham
European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Nucleic Acids Res 40:D776-82. 2012..The resource is freely available through a web interface: www.ebi.ac.uk/thorton-srv/databases/FunTree...
Protein function prediction using local 3D templatesRoman A Laskowski
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
J Mol Biol 351:614-26. 2005..In all, the methodology provides a powerful new tool for function prediction to complement those already in use...
Abstracting knowledge from the protein data bankNicholas Furnham
EMBL EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Biopolymers 99:183-8. 2013..Here, we describe how the focus of protein structural analysis has developed over the past 40 years. © 2012 Wiley Periodicals, Inc. Biopolymers 99: 183-188, 2013...
Exome sequencing identifies a missense mutation in Isl1 associated with low penetrance otitis media in dearisch miceJennifer M Hilton
Wellcome Trust Sanger Institute, Hinxton, Cambridge CB10 1SA, UK
Genome Biol 12:R90. 2011..Genetic studies suggest an inherited component, but few of the genes that contribute to this condition are known. Mouse mutants have contributed significantly to the identification of genes predisposing to otitis media..
Molecular basis of inherited diseases: a structural perspectiveRobert E Steward
EMBL-European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
Trends Genet 19:505-13. 2003
Bioinformatics and protein designRoman A Laskowski
European Bioinformatics Institute, Hinxton, Cambridge, CB10 1SD, UK
Curr Pharm Biotechnol 3:317-27. 2002..Some examples of these successes, which are available in the Protein Data Bank, are presented. They suggest that carefully designed protein therapeutics are a genuine prospect for the future...
The implications of alternative splicing in the ENCODE protein complementMichael L Tress
Structural Computational Biology Programme, Spanish National Cancer Research Centre, E 28029 Madrid, Spain
Proc Natl Acad Sci U S A 104:5495-500. 2007....
Integrating structure, bioinformatics, and enzymology to discover function: BioH, a new carboxylesterase from Escherichia coliRuslan Sanishvili
Biosciences Division, Argonne National Laboratory, Argonne, Illinois, 60439, USA
J Biol Chem 278:26039-45. 2003..The combined use of structural bioinformatics with experimental screens for detecting enzyme activity could greatly enhance the rate at which function is determined from structure...
Structural quality assuranceRoman A Laskowski
Department of Biochemistry and Molecular Biology, University College London, University of London, London, UK
Methods Biochem Anal 44:273-303. 2003
Detecting cryptically simple protein sequences using the SIMPLE algorithmM Mar Albà
Grup de Recerca en Informàtica Biomèdica, Universitat Pompeu Fabra, Dr Aiguader 80, 08003 Barcelona, Spain
Bioinformatics 18:672-8. 2002..However, many of these regions are encoded by non-repetitive DNA sequences and may therefore result from selection acting on protein structure and/or function...
Estimation of weights and validation: a marginal likelihood approachAndrey A Lebedev
School of Crystallography, Birkbeck College, London WC1E 7HX, England
Acta Crystallogr D Biol Crystallogr 59:1557-66. 2003..There is a known true value for the overall scaling coefficient for distance variances in restrained refinement and therefore the (maximum-likelihood) estimator for this coefficient may be used as a validation statistic...
