A5007597772- Receptor Mechanisms and Signaling
- Neuropeptides and Animal Physiology
- Computational Drug Discovery Methods
- Advanced Proteomics Techniques and Applications
- Mass Spectrometry Techniques and Applications
- Nicotinic Acetylcholine Receptors Study
- Monoclonal and Polyclonal Antibodies Research
- Protein Structure and Dynamics
- Machine Learning in Bioinformatics
- PI3K/AKT/mTOR signaling in cancer
- Neuroscience and Neuropharmacology Research
- Diabetes Treatment and Management
- Cell Adhesion Molecules Research
- Biochemical and Structural Characterization
- Chemical Synthesis and Analysis
- Protein Kinase Regulation and GTPase Signaling
- Cellular transport and secretion
- Protein Tyrosine Phosphatases
- Pharmacogenetics and Drug Metabolism
University of Copenhagen
2017-2025
HUN-REN Research Centre for Natural Sciences
2019-2025
Medicina
2020
Polish Academy of Sciences
2017
Maj Institute of Pharmacology
2017
G protein-coupled receptors are the most abundant mediators of both human signalling processes and therapeutic effects. Herein, we report GPCRome-wide homology models unprecedented quality, roughly 150 000 GPCR ligands with data on biological activities commercial availability. Based strategy 'Less model - more Xtal', each exploits a main template alternative local templates. This achieved higher similarity to new structures than any existing resources, refined crystal missing or distorted...
G protein-coupled receptors (GPCRs) form both the largest family of membrane proteins and drug targets, mediating action one-third medicines. The GPCR database, GPCRdb serves >4 000 researchers every month offers reference data, analysis own or literature experiment design dissemination published datasets. Here, we describe new updated resources with a particular focus on integration sequence, structure function. contains all human non-olfactory GPCRs (and >27 orthologs), G-proteins...
G protein-coupled receptors (GPCRs) are physiologically abundant signaling hubs routing hundreds of extracellular signal substances and drugs into intracellular pathways. The GPCR database, GPCRdb supports >5000 interdisciplinary researchers every month with reference data, analysis, visualization, experiment design dissemination. Here, we present our fifth major release setting out an overview the many resources for receptor sequences, structures, ligands. This includes recently published...
G protein-coupled receptors (GPCRs) constitute a functionally diverse protein family and are targets for broad spectrum of pharmaceuticals. Technological progress in X-ray crystallography cryogenic electron microscopy has enabled extensive, high-resolution structural characterisation GPCRs different conformational states. However, as highly dynamic events underlie GPCR signalling, complete understanding functionality requires insights into their dynamics. Here, we present large dataset...
Abstract Two-thirds of signaling substances, several sensory stimuli and over one-third drugs act via receptors coupling to G proteins. Here, we present an online platform for protein research with reference data tools analysis, visualization design scientific studies across disciplines areas. This may help translate new pharmacological, structural genomic into insights on vital human physiology medicine. The database is accessible at https://gproteindb.org.
Abstract G protein-coupled receptors (GPCRs) are membrane-spanning transducers mediating the actions of numerous physiological ligands and drugs. The GPCR database GPCRdb supports a large global research community with reference data, analysis, visualization, experiment design dissemination. Here, we describe our sixth major release starting an overview all resources for ligands. As addition, ∼400 human odorant their orthologs in model organisms can now be studied across various data tool...
G protein-coupled receptors (GPCRs) have been targeted across all therapeutic areas, mediate the actions of 516 (36% all) approved drugs and are being by 337 agents in clinical trials. So far, 121 GPCRs targets 30 additional entered trials may expand drugged GPCRome coming years. Here, we describe an online resource GPCR drugs, trial agents, disease indications. This offers unique reference data, analysis visualization, is availed as a new section, "Drugs Agents trial" integrated database,...
Abstract G proteins are the major signal of ∼800 receptors for medicines, hormones, neurotransmitters, tastants and odorants. GproteinDb offers integrated genomic, structural, pharmacological data tools analysis, visualization experiment design. Here, we present first update greatly expanding its coupling structural templates, adding AlphaFold2 structure models GPCR–G protein complexes advancing interactive analysis their interfaces underlying selectivity. We insights on agreement across...
Abstract The GPCR autoproteolysis inducing (GAIN) domain is an ancient protein fold ubiquitous in adhesion G protein-coupled receptors (aGPCR). It contains a tethered agonist necessary and sufficient for receptor activation. GAIN hotspot pathological mutations. However, the low primary sequence conservation of domains has thus far hindered knowledge transfer across different human as well species orthologs. Here, we present scheme generic residue numbering domains, based on structural...
Here we show that the functional activity and signalling of dopamine D2 D3 receptor ligands can be fine tuned from extracellular secondary binding pocket (SBP) located far interface.
SH2 domains are key mediators of phosphotyrosine-based signalling, and therapeutic targets for diverse, mostly oncological, disease indications. They have a highly conserved structure with central beta sheet that divides the binding surface protein into two main pockets, responsible phosphotyrosine (pY pocket) substrate specificity + 3 pocket). In recent years, structural databases proven to be invaluable resources drug discovery community, as they contain relevant up-to-date information on...
Metabotropic glutamate receptor 5 (mGluR5) is a class C G protein-coupled (GPCR) with both an extracellular ligand binding site and allosteric intrahelical chamber located similarly to the orthosteric of Class A GPCRs. Ligands this ancestral mGluR5 can act as positive (PAM), negative (NAM) or silent (SAM) modulators, their medicinal chemistry optimization notoriously difficult, subtle structural changes may cause significant variation in activity switch functional response. Here we present...
Abstract G protein-coupled receptors (GPCRs) are involved in numerous physiological processes and the most frequent targets of approved drugs. The explosion number new 3D molecular structures GPCRs (3D-GPCRome) during last decade has greatly advanced mechanistic understanding drug design opportunities for this protein family. While experimentally-resolved undoubtedly provide valuable snapshots specific GPCR conformational states, they give only limited information on their flexibility...
<title>Abstract</title> The GPCR autoproteolysis inducing (GAIN) domain is an ancient protein fold ubiquitous in adhesion G protein-coupled receptors (aGPCR). It contains a concealed tethered agonist element, which necessary and sufficient for receptor activation. GAIN hotspot pathological mutations. However, the low primary sequence conservation of domains has thus far hindered knowledge transfer across different human as well species orthologs. Here, we present scheme generic residue...