6vnr | pdb_00006vnr

Crystal Structure of Danio rerio Histone Deacetylase 6 Catalytic Domain 2 (CD2) Complexed with Bishydroxamic Acid Inhibitor

spinqualitylabelsall models 6vnr, resolution 1.94Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6vnr is a 2 chain structure with sequence from Danio rerio. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.9430132Å Ligands: EDO, K, R5G, ZN Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function F8W4B7_DANRE Publication Abstract from PubMed We report the synthesis and evaluation of a class of selective multi-target agents for the inhibition of HDAC6, HDAC8 and HDAC10. The concept for this study grew out of a structural analysis of the two selective inhibitors Tubastatin A (HDAC6/10) and PCI-34051 (HDAC8), which we recognized share the same N -benzylindole core. Hybridization of the two inhibitor structures resulted in dihydroxamic acids with benzyl-indole and -indazole core motifs. These substances exhibit potent activity on HDAC6, HDAC8 and HDAC10, while retaining selectivity over HDAC1, HDAC2 and HDAC3. The best substance inhibited viability of the SK-N-BE(2)C neuroblastoma cell line with an IC 50 value similar to a combination treatment with Tubastatin A and PCI-34051. This compound class establishes proof of concept for such hybrid molecules and may serve as a starting point for the further development of enhanced HDAC6/8/10 inhibitors. Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors.,Miller AK, Morgen M, Steimbach RR, Geraldy M, Hellweg L, Sehr P, Ridinger J, Witt O, Oehme I, Herbst-Gervasoni CJ, Osko JD, Porter NJ, Christianson DW, Gunkel N ChemMedChem. 2020 Apr 29. doi: 10.1002/cmdc.202000149. PMID:32348628 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Histone deacetylase 3D structures

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