RXRγ Degrader WCF-598 Structure for Prostate Cancer Research

A collection of the PDB structure file for WCF-598, a potent and selective RXRγ degrader developed via the PROTAC approach. The compound demonstrated robust antiproliferative activity and induced tumor regression in 22Rv1 xenograft mouse models of castration-resistant prostate cancer. The file size is 402.2 KB.

Use Cases

• Analyze the 3D molecular structure of the PROTAC WCF-598 to understand its binding interactions with RXRγ.
• Use the PDB file for molecular docking studies to investigate WCF-598's preferential degradation of RXRγ over RXRα and RXRβ isoforms.
• Employ the structural data to model the mechanism by which WCF-598 also degrades the androgen receptor splice variant AR-V7.
• Validate computational models of RXRγ-related diseases using the specific chemical probe structure of WCF-598.

Strengths

• Provides the specific 3D structure of WCF-598, a novel chemical probe for RXRγ with demonstrated in vivo efficacy in tumor regression.
• The dataset is focused on a single, well-characterized compound with a defined secondary activity against the clinically relevant AR-V7 driver.

Limitations

• The dataset is very small, consisting of a single 402.2 KB PDB file, limiting its scope to structural analysis of one compound.
• No associated tabular data (e.g., experimental results, dose-response curves) are included, requiring users to source biological activity data elsewhere.

Provenance

Source

Author Chaofan Wang, published on figshare.

Collection Method

Developed through the PROTAC (Proteolysis Targeting Chimera) approach for targeted protein degradation.

Freshness

Last updated on 2026-03-20.