6vnq: Difference between revisions

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-'''Unreleased structure'''
-The entry 6vnq is ON HOLD
+==Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Bishydroxamic Acid Based Inhibitor==
+<StructureSection load='6vnq' size='340' side='right'caption='[[6vnq]], [[Resolution|resolution]] 2.05&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6vnq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Danio_rerio Danio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VNQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6VNQ FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.05&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=R5G:N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide'>R5G</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6vnq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vnq OCA], [https://pdbe.org/6vnq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6vnq RCSB], [https://www.ebi.ac.uk/pdbsum/6vnq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6vnq ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/HDA10_DANRE HDA10_DANRE] Polyamine deacetylase (PDAC), which acts preferentially on N(8)-acetylspermidine, and also on acetylcadaverine and acetylputrescine (PubMed:28516954). Exhibits attenuated catalytic activity toward N(1),N(8)-diacetylspermidine and very low activity, if any, toward N(1)-acetylspermidine (PubMed:28516954). Has a very weak lysine deacetylase, if any (PubMed:28516954).<ref>PMID:28516954</ref>
+<div style="background-color:#fffaf0;">
+== 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.
-Authors: Herbst-Gervasoni, C.J., Christianson, D.W.
+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<ref>PMID:32348628</ref>
-Description: Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Bishydroxamic Acid Based Inhibitor
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Christianson, D.W]]
+<div class="pdbe-citations 6vnq" style="background-color:#fffaf0;"></div>
-[[Category: Herbst-Gervasoni, C.J]]
+==See Also==
+*[[Histone deacetylase 3D structures|Histone deacetylase 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Danio rerio]]
+[[Category: Large Structures]]
+[[Category: Christianson DW]]
+[[Category: Herbst-Gervasoni CJ]]