7b39 | pdb_00007b39

Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist

spinqualitylabelsall models 7b39, resolution 2.13Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7b39 is a 2 chain structure with sequence from Danio rerio and Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.13Å Ligands: ACT, T0H Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function VDRA_DANRE Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Plays a central role in calcium homeostasis. Publication Abstract from PubMed Vitamin D receptor ligands have potential for the treatment of hyperproliferative diseases and disorders related to the immune system. However, hypercalcemic effects limit their therapeutical uses and call for the development of tissue-selective new analogs. We have designed and synthesized the first examples of 1alpha,25-dihydroxyvitamin D(3) analogs bearing an allenic unit attached to the D ring to restrict the side-chain conformational mobility. The triene system was constructed by a Pd(0) -mediated cyclization/Suzuki-Miyaura cross-coupling process in the presence of an allenic side chain. The allenic moiety was built through an orthoester-Claisen rearrangement of a propargylic alcohol. The biological activity and structure of (22S)-1alpha,25-dihydroxy-17,20-dien-24-homo-21-nor-vitamin D(3) bound to binding domain of the vitamin D receptor, provide information concerning side-chain conformational requirements for biological activity. Design, Synthesis, Evaluation and Structure of Allenic 1alpha,25-Dihydroxyvitamin D(3) Analogs with Locked Mobility at C-17.,Fraga R, Len K, Lutzing R, Laverny G, Loureiro J, Maestro MA, Rochel N, Rodriguez-Borges E, Mourino A Chemistry. 2021 Sep 20;27(53):13384-13389. doi: 10.1002/chem.202101578. Epub 2021 , Aug 11. PMID:34224173 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Vitamin D receptor 3D structures

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