View source for 6oir


==Crystal structure of MYST acetyltransferase domain in complex with inhibitor 62==
<StructureSection load='6oir' size='340' side='right'caption='[[6oir]], [[Resolution|resolution]] 2.03&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6oir]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OIR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6OIR 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]] 2.03&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ALY:N(6)-ACETYLLYSINE'>ALY</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MNJ:2-fluoranyl-5-phenyl-~{N}-(phenylsulfonyl)benzohydrazide'>MNJ</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=6oir FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6oir OCA], [https://pdbe.org/6oir PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6oir RCSB], [https://www.ebi.ac.uk/pdbsum/6oir PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6oir ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
A high-throughput screen for inhibitors of the histone acetyltransferase, KAT6A, led to identification of an aryl sulfonohydrazide derivative that inhibited KAT6A with an IC50 of 0.87M. Elaboration of the structure-activity relationship (SAR) and medicinal chemistry optimization led to discovery of WM-8014 (84), a highly potent inhibitor of KAT6A (IC50 = 0.008 M). WM-8014 competes with Ac-CoA and X-ray crystallographic analysis demonstrated binding to the Ac-CoA binding site. Through inhibition of KAT6A activity, WM-8014 induces cellular senescence and represents a unique pharmacological tool.

Discovery of benzoylsulfonohydrazides as potent inhibitors of the histone acetyltransferase KAT6A.,Leaver D, Cleary B, Nguyen NT, Priebbenow DL, Lagiakos HR, Sanchez J, Xue L, Huang F, Sun Y, Mujumdar P, Mudududdla R, Varghese S, Teguh S, Charman SA, White K, Katneni K, Cuellar M, Strasser J, Dahlin J, Walters MA, Street I, Monahan B, Jarman KE, Jousset Sabroux H, Falk H, Chung M, Hermans S, Parker MW, Thomas T, Baell JB J Med Chem. 2019 Jun 29. doi: 10.1021/acs.jmedchem.9b00665. PMID:31256587<ref>PMID:31256587</ref>

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

==See Also==
*[[Histone acetyltransferase 3D structures|Histone acetyltransferase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Baell JB]]
[[Category: Chung MC]]
[[Category: Hermans SJ]]
[[Category: Parker MW]]
[[Category: Thomas T]]