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dc.contributor.authorMaietta, Paolo
dc.contributor.authorGomez Lopez, Gonzalo 
dc.contributor.authorCarro, Angel
dc.contributor.authorPingilley, Benjamin J
dc.contributor.authorLeon, Leticia G
dc.contributor.authorValencia, Alfonso 
dc.contributor.authorTress, Michael
dc.identifier.citationNucleic Acids Res. 2014 Jan;42(Database issue):D267-72.es_ES
dc.description.abstractFireDB ( is a curated inventory of catalytic and biologically relevant small ligand-binding residues culled from the protein structures in the Protein Data Bank. Here we present the important new additions since the publication of FireDB in 2007. The database now contains an extensive list of manually curated biologically relevant compounds. Biologically relevant compounds are informative because of their role in protein function, but they are only a small fraction of the entire ligand set. For the remaining ligands, the FireDB provides cross-references to the annotations from publicly available biological, chemical and pharmacological compound databases. FireDB now has external references for 95% of contacting small ligands, making FireDB a more complete database and providing the scientific community with easy access to the pharmacological annotations of PDB ligands. In addition to the manual curation of ligands, FireDB also provides insights into the biological relevance of individual binding sites. Here, biological relevance is calculated from the multiple sequence alignments of related binding sites that are generated from all-against-all comparison of each FireDB binding site. The database can be accessed by RESTful web services and is available for download via MySQL.es_ES
dc.description.sponsorshipThe Spanish Ministry of Economy and Competitiveness (BIO2012-40205); technical assistance was provided by the Spanish Bioinformatics Institute (INB), a platform of the ISCII; European Union [FP7-REGPOT-2012-CT2012-31637-IMBRAIN to L.G.L.]. Funding for open access charge: Spanish Ministry of Economy and Competitiveness [grant: BIO2012-40205]es_ES
dc.publisherOxford University Press es_ES
dc.subject.meshBinding Sites es_ES
dc.subject.meshEvolution, Molecular es_ES
dc.subject.meshInternet es_ES
dc.subject.meshLigands es_ES
dc.subject.meshMolecular Sequence Annotation es_ES
dc.subject.meshPharmaceutical Preparations es_ES
dc.subject.meshProteins es_ES
dc.subject.meshCatalytic Domain es_ES
dc.subject.meshDatabases, Protein es_ES
dc.titleFireDB: a compendium of biological and pharmacologically relevant ligandses_ES
dc.typejournal articlees_ES
dc.rights.licenseAtribución-NoComercial-CompartirIgual 4.0 Internacional*
dc.format.numberDatabase issuees_ES
dc.contributor.funderMinisterio de Economía y Competitividad (España) 
dc.contributor.funderInstituto de Salud Carlos III 
dc.contributor.funderUnión Europea 
dc.identifier.journalNucleic acids researches_ES
dc.rights.accessRightsopen accesses_ES

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Atribución-NoComercial-CompartirIgual 4.0 Internacional
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