6dvm: Difference between revisions
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==Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-122== | |||
<StructureSection load='6dvm' size='340' side='right' caption='[[6dvm]], [[Resolution|resolution]] 1.47Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[6dvm]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DVM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6DVM FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BTB:2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>BTB</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=HBJ:4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide'>HBJ</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6dvm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6dvm OCA], [http://pdbe.org/6dvm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6dvm RCSB], [http://www.ebi.ac.uk/pdbsum/6dvm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6dvm ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Four crystal structures are presented of histone deacetylase 6 (HDAC6) complexes with para-substituted phenylhydromaxamate inhibitors, including bulky peptoids. These structures provide insight regarding the design of capping groups that confer selectivity for binding to HDAC6, specifically with regard to interactions in a pocket formed by the L1 loop. Capping group interactions may also influence hydroxamate-Zn(2+) coordination with monodentate or bidentate geometry. | |||
Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.,Porter NJ, Osko JD, Diedrich D, Kurz T, Hooker JM, Hansen FK, Christianson DW J Med Chem. 2018 Aug 17. doi: 10.1021/acs.jmedchem.8b01013. PMID:30118224<ref>PMID:30118224</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
[[Category: Christianson, D | <div class="pdbe-citations 6dvm" style="background-color:#fffaf0;"></div> | ||
[[Category: Porter, N | == References == | ||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Christianson, D W]] | |||
[[Category: Porter, N J]] | |||
[[Category: Histone deacetylaase]] | |||
[[Category: Hydrolase-hydrolase inhibitor complex]] | |||
[[Category: Metallohydrolase]] | |||
Revision as of 07:28, 29 August 2018
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-122
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