S1PR1 Agonist Selectivity: Cryo-EM Structures and Molecular Dynamics Data

Underlying data for figures S7A–S7H from a study on sphingosine-1-phosphate receptor 1 (S1PR1) selectivity. The dataset, created by Lei Yu and shared on figshare, contains results from structural analysis, molecular dynamics simulations, and pharmacological assays. It was last updated in April 2026.

Use Cases

• Analyzing the molecular determinants of agonist selectivity based on cryo-electron microscopy structures.
• Training or validating molecular docking models based on the reported ligand-binding pocket features.
• Comparing agonist binding orientations and steric clashes across S1PR subtypes based on the structural framework.
• Investigating the role of nonconserved residues at the G-protein interface on receptor selectivity.

Strengths

• Data is associated with a peer-reviewed structural biology study, providing experimental context.
• Includes results from an integrated approach combining structural analysis, simulations, and assays.
• Shared under a permissive CC-BY-4.0 license for reuse.

Limitations

• Row count and column-level documentation are absent; field semantics must be inferred after download.
• The dataset is small at 74.3 KB, indicating limited scope, likely containing summary or figure data.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Data generated from cryo-electron microscopy, molecular dynamics simulations, and pharmacological assays.

Time Range

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Freshness

Last updated 2026-04-10 17:45:02; freshness should be verified.

Geography

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