View source for 6cgp


==Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032==
<StructureSection load='6cgp' size='340' side='right'caption='[[6cgp]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6cgp]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Brachidanio_rerio Brachidanio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CGP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CGP FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=F1Y:N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide'>F1Y</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">hdac6 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7955 Brachidanio rerio])</td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6cgp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cgp OCA], [http://pdbe.org/6cgp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cgp RCSB], [http://www.ebi.ac.uk/pdbsum/6cgp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cgp ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The multicomponent synthesis of a mini-library of histone deacetylase inhibitors with imidazo[1,2- a]pyridine-based cap groups is presented. The biological evaluation led to the discovery of the hit compound MAIP-032 as a selective HDAC6 inhibitor with promising anticancer activity. The X-ray structure of catalytic domain 2 from Danio rerio HDAC6 complexed with MAIP-032 revealed a monodentate zinc-binding mode.

Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors.,Mackwitz MKW, Hamacher A, Osko JD, Held J, Scholer A, Christianson DW, Kassack MU, Hansen FK Org Lett. 2018 Jun 1;20(11):3255-3258. doi: 10.1021/acs.orglett.8b01118. Epub, 2018 May 23. PMID:29790770<ref>PMID:29790770</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 6cgp" style="background-color:#fffaf0;"></div>

==See Also==
*[[Histone deacetylase 3D structures|Histone deacetylase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Brachidanio rerio]]
[[Category: Large Structures]]
[[Category: Christianson, D W]]
[[Category: Osko, J D]]
[[Category: Histone deacetylase]]
[[Category: Hydrolase-hydrolase inhibitor complex]]
[[Category: Metallohydrolase]]