LC-TEAD01: Structural Data for a Covalent TEAD Protein Inhibitor

Yuhui Miao published a dataset on 2026-05-05 containing structural data related to the discovery of novel covalent inhibitors for TEAD proteins. The dataset, 401.9 KB in size, includes CIF files likely detailing the biochemical and structural studies of the inhibitor LC-TEAD01. This work integrated structure-based design with parallel synthesis and in situ screening.

Use Cases

• Analyzing covalent inhibitor binding modes based on the described structural studies confirming engagement of a conserved cysteine.
• Studying structure-activity relationships for TEAD inhibitors based on the described hydrophobic-fragment library and screening approach.
• Validating computational docking models using the structural data for the LC-TEAD01 compound mentioned in the description.

Strengths

• Includes structural data (CIF files) confirmed by biochemical and structural studies as mentioned in the description.
• The associated research identified a selective inhibitor (LC-TEAD01) with a 17-fold preference for specific cell lines.
• The dataset is associated with a specific, peer-reviewed research strategy integrating structure-based design and parallel synthesis.

Limitations

• Row count and column-level documentation are absent; field semantics must be inferred after download.
• The dataset is very small (401.9 KB), indicating limited scope, likely containing only specific structural coordinates.
• Last updated 2026-05-05 17:37:26; freshness should be verified as it is a future date.

Provenance

Source

Yuhui Miao via figshare

Collection Method

Generated through integrated structure-based design, CuAAC-enabled parallel synthesis, and in situ screening as described in the associated study.

Freshness

Last updated 2026-05-05 17:37:26.