7u8z - Revision history

OCA at 09:50, 25 October 2023

OCA — Wed, 25 Oct 2023 09:50:41 GMT

←Older revision		Revision as of 09:50, 25 October 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7u8z]] is a 4 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=7U8Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7U8Z FirstGlance]. <br>		<table><tr><td colspan='2'>[[7u8z]] is a 4 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=7U8Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7U8Z FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=M0I:4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide'>M0I</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.85Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=M0I:4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide'>M0I</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</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=7u8z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7u8z OCA], [https://pdbe.org/7u8z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7u8z RCSB], [https://www.ebi.ac.uk/pdbsum/7u8z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7u8z ProSAT]</span></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=7u8z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7u8z OCA], [https://pdbe.org/7u8z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7u8z RCSB], [https://www.ebi.ac.uk/pdbsum/7u8z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7u8z ProSAT]</span></td></tr>
	</table>		</table>
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	</div>		</div>
	<div class="pdbe-citations 7u8z" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7u8z" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Histone deacetylase 3D structures\|Histone deacetylase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 10:06, 24 November 2022

OCA — Thu, 24 Nov 2022 10:06:25 GMT

←Older revision		Revision as of 10:06, 24 November 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 7u8z is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with fluorinated peptoid inhibitor==
		+	<StructureSection load='7u8z' size='340' side='right'caption='[[7u8z]], [[Resolution\|resolution]] 1.85Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7u8z]] is a 4 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=7U8Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7U8Z FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=M0I:4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide'>M0I</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</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=7u8z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7u8z OCA], [https://pdbe.org/7u8z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7u8z RCSB], [https://www.ebi.ac.uk/pdbsum/7u8z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7u8z ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A7YT55_DANRE A7YT55_DANRE]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Using a microwave-assisted protocol, we synthesized 16 peptoid-capped HDAC inhibitors (HDACi) with fluorinated linkers and identified two hit compounds. In biochemical and cellular assays, 10h stood out as a potent unselective HDACi with remarkable cytotoxic potential against different therapy-resistant leukemia cell lines. 10h demonstrated prominent antileukemic activity with low cytotoxic activity toward healthy cells. Moreover, 10h exhibited synergistic interactions with the DNA methyltransferase inhibitor decitabine in AML cell lines. The comparison of crystal structures of HDAC6 complexes with 10h and its nonfluorinated counterpart revealed a similar occupation of the L1 loop pocket but slight differences in zinc coordination. The substitution pattern of the acyl residue turned out to be crucial in terms of isoform selectivity. The introduction of an isopropyl group onto the phenyl ring provided the highly HDAC6-selective inhibitor 10p, which demonstrated moderate synergy with decitabine and exceeded the HDAC6 selectivity of tubastatin A.

-	~~Authors~~:	+	Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia.,Ressing N, Schliehe-Diecks J, Watson PR, Sonnichsen M, Cragin AD, Scholer A, Yang J, Schaker-Hubner L, Borkhardt A, Christianson DW, Bhatia S, Hansen FK J Med Chem. 2022 Nov 9. doi: 10.1021/acs.jmedchem.2c01418. PMID:36351184<ref>PMID:36351184</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 7u8z" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Danio rerio]]
		+	[[Category: Large Structures]]
		+	[[Category: Christianson DW]]
		+	[[Category: Cragin AD]]
		+	[[Category: Watson PR]]

OCA at 09:31, 30 March 2022

OCA — Wed, 30 Mar 2022 09:31:44 GMT

←Older revision		Revision as of 09:31, 30 March 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7u8z is ON HOLD	+	The entry 7u8z is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7u8z" [edit=sysop:move=sysop]

OCA — Wed, 16 Mar 2022 05:06:27 GMT

Protected "7u8z" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:06, 16 March 2022

OCA: New page: '''Unreleased structure''' The entry 7u8z is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 16 Mar 2022 05:06:26 GMT

New page: '''Unreleased structure''' The entry 7u8z is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7u8z is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]