9RAP

VDR complex with UG-635

This is a non-PDB format compatible entry.

Summary for 9RAP

• Entry DOI: 10.2210/pdb9rap/pdb
• Descriptor: Vitamin D3 receptor A, Nuclear receptor coactivator 2, ACETATE ION, ... (5 entities in total)
• Functional Keywords: nuclear receptor, vdr, agonist, transcription
• Biological source: Danio rerio (zebrafish); More
• Total number of polymer chains: 2
• Total formula weight: 36147.23

Authors

Rochel, N. (deposition date: 2025-05-21, release date: 2026-04-08)

Primary citation

Gomez-Bouzo, U.,Peluso-Iltis, C.,Barreiro, S.,Fernandes, C.,Verlinden, L.,Verstuyf, A.,Borges, F.,Rochel, N.,Gomez, G.,Fall, Y.
25-nitro-20-epi-vitamin D analogue with anti-proliferative and cytoprotective properties: Biological and pharmacological evaluation.
Exp Mol Pathol, 145:105036-105036, 2026

PubMed Abstract: We report the synthesis and pharmacological evaluation of UG-635, a novel 25-nitro vitamin D analogue bearing a 20-epimeric configuration. Cytotoxicity studies in SH-SY5Y neuroblastoma and HepG2 hepatocarcinoma cells showed that UG-635 is well tolerated at low concentrations but reduces viability at higher doses. Importantly, UG-635 demonstrated protective effects against oxidative stress in neuronal cells and exhibited anti-proliferative activity in breast cancer (MCF7) and osteoblast (MC3T3-E1) models, with efficacy comparable to calcitriol. Structural and crystallographic analyses revealed efficient binding to the vitamin D receptor (VDR), stabilizing its active conformation through favorable interactions with anchoring histidines. These findings highlight UG-635 as a promising vitamin D analogue with potential pharmacological relevance in cancer and neurodegenerative disease contexts, combining anti-proliferative and cytoprotective properties.

PubMed: 41734645
DOI: 10.1016/j.yexmp.2026.105036

Experimental method

X-RAY DIFFRACTION (2.2 Å)