GPCRdb in 2018: adding GPCR structure models and ligands
University of Copenhagen · Maj Institute of Pharmacology · +1 more institution
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…
Citation impact
- FWCI
- 27.25
- Percentile
- 100%
- References
- 23
Authors
8- GPGáspár Pándy‐Szekeres
University of Copenhagen, Maj Institute of Pharmacology, Polish Academy of Sciences
- CMChristian Munk
University of Copenhagen
- TMTsonko M. Tsonkov
University of Copenhagen
- SMStefan Mordalski
Maj Institute of Pharmacology, Polish Academy of Sciences
- KHKasper Harpsøe
University of Copenhagen
Topics & keywords
- G protein-coupled receptor
- Biology
- Computational biology
- Template
- Structural similarity
- Ligand (biochemistry)
- Similarity (geometry)
- Bioinformatics