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4ynd

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'''Unreleased structure'''
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==The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2==
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<StructureSection load='4ynd' size='340' side='right' caption='[[4ynd]], [[Resolution|resolution]] 2.79&Aring;' scene=''>
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The entry 4ynd is ON HOLD until Paper Publication
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4ynd]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4YND OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4YND FirstGlance]. <br>
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Authors: Sweis, R.F., Wang, Z., Algire, M., Arrowsmith, C.H., Brown, P.J., Chiang, G.C., Guo, J., Jakob, C.G., Kennedy, S., Li, F., Soni, N.B., Vedadi, M., Pappano, W.N.
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4GQ:N-CYCLOHEXYL-N~3~-[2-(3,4-DICHLOROPHENYL)ETHYL]-N-(2-{[(2R)-2-HYDROXY-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-8-YL)ETHYL]AMINO}ETHYL)-BETA-ALANINAMIDE'>4GQ</scene>, <scene name='pdbligand=SAM:S-ADENOSYLMETHIONINE'>SAM</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<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=4ynd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ynd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ynd RCSB], [http://www.ebi.ac.uk/pdbsum/4ynd PDBsum]</span></td></tr>
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Description:
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</table>
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[[Category: Unreleased Structures]]
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== Function ==
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[[http://www.uniprot.org/uniprot/SMYD2_HUMAN SMYD2_HUMAN]] Protein-lysine N-methyltransferase that methylates both histones and non-histone proteins. Specifically methylates histone H3 'Lys-4' (H3K4me) and dimethylates histone H3 'Lys-36' (H3K36me2). Has also methyltransferase activity toward non-histone proteins such as p53/TP53 and RB1. Monomethylates 'Lys-370' of p53/TP53, leading to decreased DNA-binding activity and subsequent transcriptional regulation activity of p53/TP53. Monomethylates 'Lys-860' of RB1/RB.<ref>PMID:17108971</ref> <ref>PMID:17805299</ref> <ref>PMID:18065756</ref> <ref>PMID:20870719</ref>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Algire, M]]
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[[Category: Arrowsmith, C H]]
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[[Category: Brown, P J]]
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[[Category: Chiang, G C]]
[[Category: Guo, J]]
[[Category: Guo, J]]
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[[Category: Vedadi, M]]
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[[Category: Jakob, C G]]
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[[Category: Jakob, C.G]]
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[[Category: Kennedy, S]]
[[Category: Li, F]]
[[Category: Li, F]]
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[[Category: Pappano, W N]]
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[[Category: Soni, N B]]
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[[Category: Sweis, R F]]
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[[Category: Vedadi, M]]
[[Category: Wang, Z]]
[[Category: Wang, Z]]
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[[Category: Arrowsmith, C.H]]
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[[Category: Epigenetic]]
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[[Category: Kennedy, S]]
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[[Category: H3k36]]
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[[Category: Soni, N.B]]
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[[Category: Lysine]]
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[[Category: Brown, P.J]]
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[[Category: Methyltransferase]]
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[[Category: Chiang, G.C]]
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[[Category: P53]]
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[[Category: Sweis, R.F]]
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[[Category: Smyd2]]
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[[Category: Pappano, W.N]]
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[[Category: Tranferase-transferase inhibitor complex]]
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[[Category: Algire, M]]
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Revision as of 12:20, 20 May 2015

The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2

4ynd, resolution 2.79Å

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