Crystal Structure of Epoxomicin Bound to the 20S Proteasome

M. Groll from Yale University published a dataset containing the crystal structure of the proteasome inhibitor epoxomicin bound to its target. The data likely contains atomic coordinates and structural parameters derived from X-ray crystallography. This provides a molecular basis for understanding the selectivity of alpha,beta-epoxyketone inhibitors.

Use Cases

• Analyzing protein-ligand interactions for drug discovery (inferred from domain, verify after download)
• Training models to predict inhibitor binding affinity (inferred from domain, verify after download)
• Benchmarking molecular docking algorithms (inferred from domain, verify after download)

Strengths

• Published on paperswithcode, a platform for machine learning research.
• Authored by a researcher from Yale University.

Limitations

• Metadata is minimal; actual content requires verification after download.
• Row count and file format are unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.

Provenance

Source

M. Groll, Yale University

Collection Method

Likely derived from X-ray crystallography experiments.