Molecular Structure Data for a Novel PD-L1 Degradation Agent

285.9 KB of molecular structure data in PDB format from a study on nitidine-derived phenanthridine compounds. The dataset supports research into a novel PD-L1 degradation agent, e24, which targets CSN5 to enhance antitumor immunity, as validated in Lewis tumor and MC38 mice models. The data originates from a 2026 figshare upload by author Qun Wang under a CC BY-NC 4.0 license.

Use Cases

• Analyze the PDB structure of the derivative e24 to model its binding interaction with the CSN5 target protein.
• Compare the molecular features of synthesized phenanthridines against the prototype nitidine to study structure-activity relationships for PD-L1 modulation.
• Use the structural data to support computational docking studies for identifying novel CSN5 inhibitors from the synthesized chemical space.

Strengths

• Data is recent, uploaded in March 2026.
• Provides specific structural information on the novel, biologically validated compound e24.
• Includes data validated in two in vivo models (Lewis tumor and MC38 mice).

Limitations

• The dataset is very small at 285.9 KB, indicating limited scope.
• No row or column metadata is provided, limiting understanding of the data's internal structure.
• The license (CC BY-NC 4.0) restricts commercial use.

Provenance

Source

figshare, author Qun Wang.

Collection Method

Data generated from a one-pot synthesis method under visible light to create functionalized phenanthridines, followed by activity screening.

Time Range

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Freshness

Last updated 2026-03-13.

Geography

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