6cgp: Difference between revisions
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==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]] 2.50Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[6cgp]] 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=6CGP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6CGP 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]] 2.5Å</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=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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6cgp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cgp OCA], [https://pdbe.org/6cgp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6cgp RCSB], [https://www.ebi.ac.uk/pdbsum/6cgp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6cgp ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/A7YT55_DANRE A7YT55_DANRE] | |||
<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®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: Christianson | <div class="pdbe-citations 6cgp" style="background-color:#fffaf0;"></div> | ||
[[Category: Osko | |||
==See Also== | |||
*[[Histone deacetylase 3D structures|Histone deacetylase 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Danio rerio]] | |||
[[Category: Large Structures]] | |||
[[Category: Christianson DW]] | |||
[[Category: Osko JD]] | |||
Latest revision as of 18:04, 4 October 2023
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032
Structural highlights
FunctionPublication Abstract from PubMedThe 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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