Structural Data for Sphingosine-1-Phosphate Receptor Agonist Selectivity Analysis

Data supporting a 2026 study on the structural basis of agonist selectivity for sphingosine-1-phosphate receptor 1 (S1PR1). The dataset, created by Leiye Yu and shared under CC-BY-4.0, includes underlying data for figures 1A through 1H, derived from cryo-electron microscopy structures, molecular dynamics simulations, and pharmacological assays.

Use Cases

• Analyzing molecular determinants of agonist selectivity based on structural features described in the study.
• Training or validating machine learning models for drug binding affinity using structural interaction data.
• Comparing ligand-binding pocket geometries across S1PR subtypes using the reported structural framework.
• Investigating the role of nonconserved residues in receptor selectivity as highlighted in the description.

Strengths

• Data is directly linked to a specific, detailed scientific study on S1PR1 selectivity.
• The dataset is small (82.9 KB), facilitating quick download and initial inspection.
• It is shared under a permissive CC-BY-4.0 license, allowing for reuse and modification.

Limitations

• Row count and column-level documentation are absent; field semantics must be inferred after download.
• The dataset's scope is limited to supporting specific figures from a single study.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Derived from cryo-electron microscopy structures, molecular dynamics simulations, and pharmacological assays as described in the associated study.

Time Range

Associated with a study published or updated in 2026.

Freshness

Last updated 2026-04-10 17:44:53; freshness should be verified.

Geography

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