OCA at 08:15, 11 October 2023

OCA — Wed, 11 Oct 2023 08:15:46 GMT

←Older revision		Revision as of 08:15, 11 October 2023
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	==Crystal Structure of Danio rerio Histone Deacetylase 6 Catalytic Domain 2 (CD2) Complexed with Bishydroxamic Acid Inhibitor==		==Crystal Structure of Danio rerio Histone Deacetylase 6 Catalytic Domain 2 (CD2) Complexed with Bishydroxamic Acid Inhibitor==
-	<StructureSection load='6vnr' size='340' side='right'caption='[[6vnr]]' scene=''>	+	<StructureSection load='6vnr' size='340' side='right'caption='[[6vnr]], [[Resolution\|resolution]] 1.94Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VNR OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6VNR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6vnr]] is a 2 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=6VNR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6VNR FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6vnr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vnr OCA], [~~http~~://pdbe.org/6vnr PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6vnr RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6vnr PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6vnr ProSAT]</span></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]] 1.9430132Å</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=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=R5G:N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide'>R5G</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=6vnr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vnr OCA], [https://pdbe.org/6vnr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6vnr RCSB], [https://www.ebi.ac.uk/pdbsum/6vnr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6vnr ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/F8W4B7_DANRE F8W4B7_DANRE]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We report the synthesis and evaluation of a class of selective multi-target agents for the inhibition of HDAC6, HDAC8 and HDAC10. The concept for this study grew out of a structural analysis of the two selective inhibitors Tubastatin A (HDAC6/10) and PCI-34051 (HDAC8), which we recognized share the same N -benzylindole core. Hybridization of the two inhibitor structures resulted in dihydroxamic acids with benzyl-indole and -indazole core motifs. These substances exhibit potent activity on HDAC6, HDAC8 and HDAC10, while retaining selectivity over HDAC1, HDAC2 and HDAC3. The best substance inhibited viability of the SK-N-BE(2)C neuroblastoma cell line with an IC 50 value similar to a combination treatment with Tubastatin A and PCI-34051. This compound class establishes proof of concept for such hybrid molecules and may serve as a starting point for the further development of enhanced HDAC6/8/10 inhibitors.
		+
		+	Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors.,Miller AK, Morgen M, Steimbach RR, Geraldy M, Hellweg L, Sehr P, Ridinger J, Witt O, Oehme I, Herbst-Gervasoni CJ, Osko JD, Porter NJ, Christianson DW, Gunkel N ChemMedChem. 2020 Apr 29. doi: 10.1002/cmdc.202000149. PMID:32348628<ref>PMID:32348628</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6vnr" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Histone deacetylase 3D structures\|Histone deacetylase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Danio rerio]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Christianson DW]]		[[Category: Christianson DW]]
	[[Category: Osko JD]]		[[Category: Osko JD]]
	[[Category: Porter NJ]]		[[Category: Porter NJ]]

OCA at 05:34, 13 May 2020

OCA — Wed, 13 May 2020 05:34:28 GMT

←Older revision		Revision as of 05:34, 13 May 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6vnr is ~~ON HOLD until Paper Publication~~	+	==Crystal Structure of Danio rerio Histone Deacetylase 6 Catalytic Domain 2 (CD2) Complexed with Bishydroxamic Acid Inhibitor==
-		+	<StructureSection load='6vnr' size='340' side='right'caption='[[6vnr]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VNR OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VNR FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6vnr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vnr OCA], [http://pdbe.org/6vnr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vnr RCSB], [http://www.ebi.ac.uk/pdbsum/6vnr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vnr ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Christianson DW]]
		+	[[Category: Osko JD]]
		+	[[Category: Porter NJ]]

OCA at 06:03, 11 March 2020

OCA — Wed, 11 Mar 2020 06:03:06 GMT

←Older revision		Revision as of 06:03, 11 March 2020
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6vnr is ON HOLD	+	The entry 6vnr is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6vnr" [edit=sysop:move=sysop]

OCA — Wed, 05 Feb 2020 06:21:35 GMT

Protected "6vnr" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:21, 5 February 2020

OCA: New page: '''Unreleased structure''' The entry 6vnr is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 05 Feb 2020 06:21:33 GMT

New page: '''Unreleased structure''' The entry 6vnr is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6vnr is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

6vnr - Revision history

OCA at 08:15, 11 October 2023

OCA at 05:34, 13 May 2020

OCA at 06:03, 11 March 2020

OCA: Protected "6vnr" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 6vnr is ON HOLD Authors: Description: Category: Unreleased Structures