S9B–S9E Fig Data: S1PR1 Agonist Selectivity from Cryo-EM and Simulations

Underlying data for S9B–S9E Fig supports a study on sphingosine-1-phosphate receptor subtype selectivity. The dataset, created by Lei Yu and shared under CC-BY-4.0, was last updated on April 10, 2026. It contains results from structural analysis, molecular dynamics simulations, and pharmacological assays for four S1PR1 agonists.

Use Cases

• Training models to predict ligand-receptor binding affinity based on structural features from cryo-EM.
• Analyzing molecular determinants of agonist selectivity across S1PR subtypes based on described binding pocket residues.
• Validating molecular dynamics simulation results against pharmacological assay data mentioned in the description.

Strengths

• Data is directly linked to published structural findings from four cryo-electron microscopy structures.
• The dataset is openly licensed under CC-BY-4.0, facilitating reuse.
• The description provides a detailed scientific context for the underlying data.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is small at 41.3 KB, indicating limited scope.

Provenance

Source

Leiye Yu via 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 17:45:03; freshness should be verified.

Geography

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