Four cryo-electron microscopy structures of agonist-bound S1PR1-Gi1 complexes are provided in a 70.1 KB XLSX file. The dataset, authored by Lei Yu and last updated in April 2026, supports findings on the molecular basis for agonist selectivity across sphingosine-1-phosphate receptor subtypes.
Use Cases
- Analyze molecular determinants of agonist selectivity based on structural features of ligand-binding pockets.
- Validate molecular dynamics simulations based on reported cryo-EM structures.
- Compare binding orientations of CYM5442, HY-X-1011, Ponesimod, and SAR247799 agonists.
- Investigate steric clashes and polar interactions influencing selectivity for S1PR1 over other subtypes.
Strengths
- Data is derived from an integrated approach combining cryo-EM, molecular dynamics, and pharmacological assays.
- File is available under a permissive CC-BY-4.0 license.
- Dataset is focused on a specific biological question regarding S1PR1 agonist selectivity.
Limitations
- Row count and column-level documentation are absent; field semantics must be inferred after download.
- The dataset is very small at 70.1 KB, indicating limited scope.
Provenance
- Source
- figshare
- Collection Method
- Cryo-electron microscopy, molecular dynamics simulations, and pharmacological assays.
- Time Range
- null
- Freshness
- Last updated 2026-04 10 17:44:57.
- Geography
- null