6dvn: Difference between revisions

Line 1:

~~'''Unreleased structure'''~~

~~The entry~~ 6dvn is ~~ON HOLD until Paper~~ Publication

==Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-137==

== Structural highlights ==

<table><tr><td colspan='2'>[[6dvn]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DVN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6DVN 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=HB7:N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide'>HB7</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=6dvn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6dvn OCA], [http://pdbe.org/6dvn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6dvn RCSB], [http://www.ebi.ac.uk/pdbsum/6dvn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6dvn ProSAT]</span></td></tr>

</table>

== 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.

~~Authors:~~ Osko, J.D.~~, Christianson, D~~.W.

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>

~~Description: Crystal structure~~ of ~~Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK~~-~~137~~

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

[[Category: ~~Unreleased Structures~~]]

</div>

[[Category: ~~Christianson~~, D.W]]

[[Category: ~~Osko, J.D~~]]

== References ==

__TOC__

</StructureSection>

[[Category: Christianson, D W]]

[[Category: Osko, J D]]

[[Category: Histone deacetylase]]

[[Category: Hydrolase-hydrolase inhibitor complex]]

[[Category: Metallohydrolase]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
-The entry 6dvn is ON HOLD  until Paper Publication
+==Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-137==
+<StructureSection load='6dvn' size='340' side='right' caption='[[6dvn]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6dvn]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6DVN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6DVN 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=HB7:N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide'>HB7</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=6dvn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6dvn OCA], [http://pdbe.org/6dvn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6dvn RCSB], [http://www.ebi.ac.uk/pdbsum/6dvn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6dvn 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.
-Authors: Osko, J.D., Christianson, D.W.
+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>
-Description: Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-137
+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 6dvn" style="background-color:#fffaf0;"></div>
-[[Category: Osko, J.D]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Christianson, D W]]
+[[Category: Osko, J D]]
+[[Category: Histone deacetylase]]
+[[Category: Hydrolase-hydrolase inhibitor complex]]
+[[Category: Metallohydrolase]]