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79 results for “GPCR”
Data from: GPCR genes as activators of surface colonization pathways in a model marine diatom
<p>Surface colonization allows diatoms, a dominant group of phytoplankton in oceans, to adapt to harsh marine environments while mediating biofoulings to human-made underwater facilities. The regulatory pathways underlying diatom surface colonization, which involves morphotype switching in some species, remain mostly unknown. Here, we describe the identifications of 61 signaling genes, including G-protein-coupled receptors (GPCRs) and protein kinases, that are differentially regulated during surface colonization in the model diatom species, <em>Phaeodactylum tricornutum</em>. We show that the transformation of <em>P. tricornutum</em> with constructs expressing individual GPCR genes induces cells to adopt the surface colonization morphology. <em>P. tricornutum</em> cells transformed to express GPCR1A display 30% more resistance to UV light exposure than their non-biofouling wild type counterparts, consistent with increased silicification of cell walls associated with the oval-biofouling morphotype. Our results provide a mechanistic definition of morphological shifts during surface colonization and identify candidate target proteins for the screening of eco-friendly, anti-biofouling molecules.</p>
Secretin-like class B G protein-coupled receptor (GPCR) mutation data set
<p>Curated set of 2463 quantitative mutation data points covering 13 secretin-like class B G protein-coupled receptors.</p> <p>Annotated according to GPCRdb standards (http://gpcrdb.org/), complemented by GPCRdb Ballesteros-Weinstein numbers assigned using GPCRdb KNIME nodes (https://github.com/3D-e-Chem/knime-gpcrdb).</p> <p>The data set is build from data sets published in:</p> <p>- Siu et al. Nature 2013, 499: 444-449. doi:10.1038/nature12393</p> <p>- Hollenstein, de Graaf et al. Tr Pharmacol Sci 2014, 35: 12-22. doi: 10.1016/j.tips.2013.11.001</p> <p>- Yang, de Graaf et al. J Biol Chem 2016, 291: 12991-3004. doi: 10.1074/jbc.M116.721977</p>
Astrocytic Gi-GPCR activation enhances stimulus-evoked extracellular glutamate
<p>Astrocytes perform critical functions in the nervous system, many of which are dependent on neurotransmitter-sensing through G protein-coupled receptors (GPCRs). However, whether specific astrocytic outputs follow specific GPCR activity remains unclear, and exploring this question is critical for understanding how astrocytes ultimately influence brain function and behavior. Here, we investigate the outputs of astrocytic Gi-GPCRs, a family of GPCRs which we previously showed is sufficient to increase slow-wave neural activity (SWA) during sleep when activated in cortical astrocytes<sup>1</sup>. We focus on two putative outputs by astrocytes <em>in vivo</em>, the regulation of extracellular glutamate and GABA, by combining fiber photometry recordings of the extracellular indicators iGluSnFR and iGABASnFR with astrocyte-specific chemogenetic Gi-GPCR activation. We find that Gi-GPCR activation does not change spontaneous dynamics of extracellular glutamate or GABA. However, Gi-GPCR activation does specifically increase visual stimulus-evoked extracellular glutamate. Together, these data point towards a complex relationship between astrocytic inputs and outputs <em>in vivo </em>that may depend on behavioral context. Further, they suggest an extracellular glutamate-specific mechanism underlying some astrocytic Gi-GPCR-dependent behaviors, including the regulation of sleep SWA.</p>
Dataset: Structure Therapeutics Inc. (GPCR) Stock Performance
This dataset provides historical stock market performance data for specific companies. It enables users to analyze and understand the past trends and fluctuations in stock prices over time. This information can be utilized for various purposes such as investment analysis, financial research, and market trend forecasting.
Updated MD trajectories for "Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)"
<p>MD trajectories relative to the preprint "Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)"</p> <p>For a summary of all the simulations performed and the settings employed see Table S1 of the preprint:</p> <p>https://www.biorxiv.org/content/10.1101/2022.10.26.513870v1</p> <p> </p>
Astrocytic Gi-GPCR activation enhances stimulus-evoked extracellular glutamate
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Data from: GPCR genes as activators of surface colonization pathways in a model marine diatom
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Simulation Data for "How GPCR phosphorylation patterns orchestrate arrestin-mediated signaling"
<p>Simulation data and analysis code for Latorraca, Masureel et al., How GPCR Phosphorylation Patterns Orchestrate Arrestin-Mediated Signaling, Cell (2020), https://doi.org/10.1016/j.cell.2020.11.014. Please see included readme files for more information. </p>
Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity
<p>Rational drug design for G protein-coupled receptors (GPCRs) is limited by the small number of available atomic resolution structures. We assessed the use of homology modeling to predict the structures of two therapeutically relevant GPCRs and strategies to improve the performance of virtual screening against modeled binding sites. Homology models of the D<sub>2</sub> dopamine (D<sub>2</sub>R) and serotonin 5-HT<sub>2A</sub> receptors (5-HT<sub>2A</sub>R) were generated based on crystal structures of 16 different GPCRs. Comparison of the homology models to D<sub>2</sub>R and 5-HT<sub>2A</sub>R crystal structures showed that accurate predictions could be obtained, but not necessarily using the most closely related template. Assessment of virtual screening performance was based on molecular docking of ligands and decoys. The results demonstrated that several templates and multiple models based on each of these must be evaluated to identify the optimal binding site structure. Models based on aminergic GPCRs displayed ligand enrichment and there was a trend toward improved virtual screening performance with increasing binding site accuracy. The best models even displayed ligand enrichment better than that of the D<sub>2</sub>R and 5-HT<sub>2A</sub>R crystal structures. Methods to consider binding site plasticity were explored to further improve predictions. Molecular docking to ensembles of structures did not outperform the best individual binding site models, but could increase the diversity of hits from virtual screens and be advantageous for GPCR targets with few known ligands. Molecular dynamics refinement resulted in moderate improvements of structural accuracy and the virtual screening performance of snapshots was either comparable to or worse than that of the raw homology models. These results provide guidelines for successful application of structure-based ligand discovery using GPCR homology models.</p>
Aminergic G protein-coupled receptor (GPCR) mutation data set
<p>Curated set of 6553 quantitative mutation data points covering 34 aminergic G protein-coupled receptors, annotated according to GPCRdb standards (http://gpcrdb.org/) building from the data set published by Kooistra et al. in BJP 2013, 170, 101.</p>
Chemokine G protein-coupled receptor (GPCR) mutation data set
<p>Curated set of 2004 quantitative mutation data points covering 10 chemokine G protein-coupled receptors, annotated according to GPCRdb standards (http://gpcrdb.org/) building from the data set published by Scholten et al. in BJP 2012, 165, 1617.</p>
Chemokine G protein-coupled receptor (GPCR) mutation data set - revision
<p>Curated set of 2004 quantitative mutation data points covering 10 chemokine G protein-coupled receptors, annotated according to GPCRdb standards (http://gpcrdb.org/) building from the data set published by Scholten et al. in BJP 2012, 165, 1617.</p> <p>Errors in the previous version were corrected and new data points for CCR2 and CCR9 were added.</p>
Lineage-Specific Class-A GPCR Dynamics Reflect Diverse Chemosensory Adaptations in Lophotrochozoa
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Novel Activation Modulating Sites in a GPCR Identified with a Large-Scale Alchemical Mutation Scan
<p>This dataset contains the starting configurations and mdp files for the alchemical free energy calculations using pmx.<br>The MD parameter files (*.mdp) for the forward reaction (lambda 0 to 1, wt to mutant) and reverse reaction (lambda 1 to 0, mutant to wt) start with f (forward) and r (reverse). Mdp files are available for the energy minimization (em), npt (npt), equilibrium run (equilibrium) and non equilibrium alchemical transition (nonequilibrium). <br>The starting configurations for mutants of the DRD2 receptor can be found in WT7jvr and WT6cm4 for the active and inactive state respectively. Mutant folders are labeled with the residue number and the amino acid it is mutated to.</p>
Opposing GPCR Signaling Programs Protein Intake Setpoint in Drosophila
<p>This deposits contain dataset used to generate main electrophysiological figures in the paper titled "Opposing GPCR signaling programs protein intake setpoint in <em>Drosophila</em>" published on 08/27/2024 on<em> Cell .</em></p>
MD Data for "A non-canonical mechanism of GPCR activation"
<p>Molecular dynamics simualtion data generated for "A non-canonical mechanism of GPCR activation". </p>
GPCR-BSD: Predicted Pockets data
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BBB permeability, sleep and qRT-PCR data for: The Drosophila blood-brain barrier regulates sleep via moody GPCR signaling
<p class="MsoNormal"><span>Sleep is vital for most animals, yet its mechanism and function remain unclear. We found that permeability of the BBB–the organ required for maintenance of homeostatic levels of nutrients, ions, and other molecules in the brain–is modulated by sleep deprivation and can cell-autonomously effect sleep changes. We observed increased BBB permeability in </span>known<span> sleep mutants as well as in acutely sleep deprived animals. In addition to molecular tracers, sleep deprivation-induced BBB changes also increased penetration of drugs used in the treatment of brain pathologies. After chronic</span>/<span> genetic or acute sleep deprivation, rebound sleep or administration of the sleeping aid gaboxadol normalized BBB permeability, showing that sleep deprivation effects on the BBB are reversible. Along with BBB permeability, RNA levels of the BBB master regulator <em>moody</em> are modulated by sleep. Conversely, altering BBB permeability alone through glia-specific modulation of <em>moody, gαo, loco, lachesin</em>, or <em>neuroglian</em> – each a well-studied regulator of BBB function – was sufficient to induce robust sleep phenotypes. These studies demonstrate a tight link between BBB permeability and sleep and indicate a novel role for the BBB in the regulation of sleep. </span></p>
Supplementary Data for "Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation"
<p>Supplementary data for publication "Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation".</p><p>Includes:</p><ul><li>All input structures used in the the retrospective benchmark dataset as well as the (at most) 5 best scoring output models.</li><li>Input structures and output models for IFD-MD predictions of SSTR2, SSTR4, and SSTR5 complexes.</li><li>Output FEP+ maps (in fmp format) for SSTR2, SSTR4, and SSTR5 best models (representative runs shown in publication).</li></ul>
BBB permeability, sleep and qRT-PCR data for: The Drosophila blood-brain barrier regulates sleep via moody GPCR signaling
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.