NDM-1: Crystal Structure Bound to L-Captopril

Crystal structure data for the NDM-1 enzyme in complex with the inhibitor L-captopril. The dataset is published on paperswithcode and authored by N.C.J. Strynadka. The specific experimental conditions and data volume are not detailed in the available metadata.

Use Cases

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

Strengths

• Published on the paperswithcode platform.
• Focuses on a clinically relevant enzyme, NDM-1, associated with antibiotic resistance.

Limitations

• Metadata is minimal; actual content requires verification after download.
• Column-level documentation is absent; field semantics must be inferred after download.
• License is listed as 'closed', which may restrict usage.

Provenance

Source

paperswithcode