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GPCRdb in 2018: adding GPCR structure models and ligands.
- Source :
-
Nucleic acids research [Nucleic Acids Res] 2018 Jan 04; Vol. 46 (D1), pp. D440-D446. - Publication Year :
- 2018
-
Abstract
- G protein-coupled receptors are the most abundant mediators of both human signalling processes and therapeutic effects. Herein, we report GPCRome-wide homology models of unprecedented quality, and roughly 150 000 GPCR ligands with data on biological activities and commercial availability. Based on the strategy of 'Less model - more Xtal', each model exploits both a main template and alternative local templates. This achieved higher similarity to new structures than any of the existing resources, and refined crystal structures with missing or distorted regions. Models are provided for inactive, intermediate and active states-except for classes C and F that so far only have inactive templates. The ligand database has separate browsers for: (i) target selection by receptor, family or class, (ii) ligand filtering based on cross-experiment activities (min, max and mean) or chemical properties, (iii) ligand source data and (iv) commercial availability. SMILES structures and activity spreadsheets can be downloaded for further processing. Furthermore, three recent landmark publications on GPCR drugs, G protein selectivity and genetic variants have been accompanied with resources that now let readers view and analyse the findings themselves in GPCRdb. Altogether, this update will enable scientific investigation for the wider GPCR community. GPCRdb is available at http://www.gpcrdb.org.<br /> (© The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.)
- Subjects :
- Amino Acid Sequence
Binding Sites
Computer Graphics
Humans
Internet
Ligands
Models, Molecular
Prescription Drugs pharmacology
Protein Binding
Protein Conformation, alpha-Helical
Protein Conformation, beta-Strand
Protein Interaction Domains and Motifs
Receptors, G-Protein-Coupled agonists
Receptors, G-Protein-Coupled antagonists & inhibitors
Receptors, G-Protein-Coupled metabolism
Sequence Alignment
Sequence Analysis, Protein
Signal Transduction
Databases, Protein
Molecular Sequence Annotation
Prescription Drugs chemistry
Receptors, G-Protein-Coupled chemistry
Software
Structural Homology, Protein
Subjects
Details
- Language :
- English
- ISSN :
- 1362-4962
- Volume :
- 46
- Issue :
- D1
- Database :
- MEDLINE
- Journal :
- Nucleic acids research
- Publication Type :
- Academic Journal
- Accession number :
- 29155946
- Full Text :
- https://doi.org/10.1093/nar/gkx1109