9FW8

VDR complex with UG-650

This is a non-PDB format compatible entry.

Summary for 9FW8

• Entry DOI: 10.2210/pdb9fw8/pdb
• Descriptor: Vitamin D3 receptor A, Nuclear receptor coactivator 2, (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{S})-7-methyl-4-methylidene-7-oxidanyl-octan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ... (4 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: 36083.21

Authors

Rochel, N. (deposition date: 2024-06-28, release date: 2025-05-07)

Primary citation

Gomez-Bouzo, U.,Peluso-Iltis, C.,Santalla, H.,Verlinden, L.,Verstuyf, A.,Rochel, N.,Gomez, G.,Fall, Y.
Design, synthesis and biological evaluation of a novel non-Gemini analog of UVB1 and crystal structure of its complex with the vitamin D receptor.
Bioorg.Chem., 157:108239-108239, 2025

PubMed Abstract: We synthesized UG-650, a novel non-Gemini analog of UVB1 that combines structural features of UVB1 and MC 1288. The evaluation of the bioactivities indicates that UG-650 dose-dependently inhibited MCF-7 cell proliferation. In comparison to calcitriol, slightly lower concentrations of UG-650 were needed to achieve equivalent levels of proliferation inhibition. Structural analysis revealed that the analog forms additional interactions stabilizing VDR active form.

PubMed: 39938446
DOI: 10.1016/j.bioorg.2025.108239

Experimental method

X-RAY DIFFRACTION (2.42 Å)