9EYR

VDR complex with gemini analog UG-480

This is a non-PDB format compatible entry.

Summary for 9EYR

• Entry DOI: 10.2210/pdb9eyr/pdb
• Descriptor: Vitamin D3 receptor A, Nuclear receptor coactivator 1, (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-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: agonist, vitamin d receptor complex, transcription
• Biological source: Danio rerio (zebrafish); More
• Total number of polymer chains: 2
• Total formula weight: 36365.55

Authors

Rochel, N. (deposition date: 2024-04-09, release date: 2024-06-19, Last modification date: 2024-07-10)

• Primary citation: Gomez-Bouzo, U.,Peluso-Iltis, C.,Santalla, H.,Quevedo, M.A.,Verlinden, L.,Verstuyf, A.,Fall, Y.,Gomez, G.,Rochel, N.; Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.; J.Med.Chem., 67:10386-10400, 2024; PubMed: 38858308; DOI: 10.1021/acs.jmedchem.4c00854

Experimental method

X-RAY DIFFRACTION (2.56 Å)