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3 results for “CB2 receptors”
CB2 Receptor Signaling Complexes with Beta-Arrestin-2 and Gi Protein
<p>CB2 receptor signaling complexes with beta-arrestin-2 and Gi protein<br>Eun Ha Heo and Ravinder Abrol (CSUN)<br>11/27/2024 (Zenodo)</p> <p>System names as filename prefixes:</p> <p>CB2R-WT-NoPhosphoC_BARR2_*: wildtype CB2 receptor without phosphorylated C-terminus bound to beta-arrestin-2.<br> <br>CB2R-WT-NoPhosphoC_Gi-Empty_*: wildtype CB2 receptor without phosphorylated C-terminus bound to nucleotide-free Gi protein (no GDP).<br> <br>CB2R-WT-NoPhosphoC_Gi-GDP_*: wildtype CB2 receptor without phosphorylated C-terminus bound to Gi-GDP.<br> <br>CB2R-WT-PhosphoC_BARR2_*: wildtype CB2 receptor with a phosphorylated C-terminus bound to beta-arrestin-2. </p> <p>CB2R-Q63R-NoPhosphoC_BARR2_*: CB2 receptor mutant Q63R without phosphorylated C-terminus bound to beta-arrestin-2.</p> <p>CB2R-Q63R-NoPhosphoC_Gi-Empty_*: CB2 receptor mutant Q63R without phosphorylated C-terminus bound to nucleotide-free Gi protein (no GDP).</p> <p>CB2R-Q63R-NoPhosphoC_Gi-GDP_*: CB2 receptor mutant Q63R without phosphorylated C-terminus bound to Gi-GDP.</p> <p>CB2R-Q63R-PhosphoC_BARR2_*: CB2 receptor mutant Q63R with a phosphorylated C-terminus bound to beta-arrestin-2. </p> <p>CB2R-L133I-NoPhosphoC_BARR2_*: CB2 receptor mutant L133I without phosphorylated C-terminus bound to beta-arrestin-2.</p> <p>CB2R-L133I-NoPhosphoC_Gi-Empty_*: CB2 receptor mutant L133I without phosphorylated C-terminus bound to nucleotide-free Gi protein (no GDP). </p> <p>CB2R-L133I-NoPhosphoC_Gi-GDP_*: CB2 receptor mutant L133I without phosphorylated C-terminus bound to Gi-GDP. </p> <p>CB2R-L133I-PhosphoC_BARR2_*: CB2 receptor L133I mutant with a phosphorylated C-terminus bound to beta-arrestin-2. </p> <p><br>Different file types in following folders when uncompressed:</p> <p>Folder: PDB files for signaling complex starting and average structures<br>*_md.pdb: Solvated complex structures used as starting geometries.<br>*_avgframe#.pdb: PDB file of average frame given by #.</p> <p>Folder: MD simulation input files for Amber MD<br>*_md.inpcrd: input coordinates file for MD job<br>*_md.prmtop: parameter and topology file for MD job<br>Step1_mini_solv.in: mdin file for energy minimization of solvent keeping protein fixed.<br>Step2_equi_solv.in: mdin file for NPT equilibration of solvent while keeping protein fixed.<br>Step3_mini_full.in: mdin file for energy minimization of whole system.<br>Step4_heat_full.in: mdin file for heating system under NPT of whole system.<br>Step5_equi_full.in: mdin file for NPT equilibration of whole system.<br>Step6_prod_full.in: mdin file for 100ns production NPT equilibration of whole system. <br>Step7a_prod_full.in: mdin file for 500ns production NPT equilibration of whole system.<br>Step7b_prod_full.in: mdin file for 500ns production NPT equilibration of whole system.<br>Step7c_prod_full.in: mdin file for 500ns production NPT equilibration of whole system.<br>Step7d_prod_full.in: mdin file for 500ns production NPT equilibration of whole system.</p> <p>Folder: MD trajectories<br>*_step7_ai_stride100.xtc: Trajectory file in Gromacs xtc format.</p>
Cannabinoid CB2 Receptor Ligands Datasets
<p>Datasets used in the work titled: "<em>A Multiple Classifier System Identifies Novel Cannabinoid CB2 Receptor Ligands</em>"</p> <ul> <li><strong>CB2 Dataset</strong> contains the dataset used by <a href="https://github.com/drordas/D2-MCS">D2-MCS</a> platform to generate Multi-Classifier Systems.</li> <li><strong>Validation Dataset</strong> is a blinded dataset composed by more than 1.8M compounds. It is used to discover potential candidate compounds.</li> </ul>
Activation of Cannabinoid CB2 Receptor in Spinal Microglia alleviates chronic itch
GEO Series GSE242768. Mus musculus. 3 samples. Type: Expression profiling by high throughput sequencing.
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