6zw1 - Revision history

OCA at 11:59, 1 February 2024

OCA — Thu, 01 Feb 2024 11:59:11 GMT

←Older revision		Revision as of 11:59, 1 February 2024
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	<StructureSection load='6zw1' size='340' side='right'caption='[[6zw1]], [[Resolution\|resolution]] 1.13Å' scene=''>		<StructureSection load='6zw1' size='340' side='right'caption='[[6zw1]], [[Resolution\|resolution]] 1.13Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6zw1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Brachidanio_rerio Brachidanio~~ rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZW1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZW1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6zw1]] 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=6ZW1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZW1 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=QRB:1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide'>QRB</scene>, <scene name='pdbligand=SCN:THIOCYANATE+ION'>SCN</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]] 1.13Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">hdac6 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7955 Brachidanio rerio])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=QRB:1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide'>QRB</scene>, <scene name='pdbligand=SCN:THIOCYANATE+ION'>SCN</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=6zw1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zw1 OCA], [https://pdbe.org/6zw1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6zw1 RCSB], [https://www.ebi.ac.uk/pdbsum/6zw1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6zw1 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=6zw1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zw1 OCA], [https://pdbe.org/6zw1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6zw1 RCSB], [https://www.ebi.ac.uk/pdbsum/6zw1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6zw1 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/F8W4B7_DANRE F8W4B7_DANRE]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 17:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 6zw1" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6zw1" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Histone deacetylase 3D structures\|Histone deacetylase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Brachidanio rerio]]
-	[[Category: Large Structures]]
-	[[Category: Barinka, C]]
-	[[Category: Motlova, L]]
-	[[Category: Ustinova, K]]
	[[Category: Danio rerio]]		[[Category: Danio rerio]]
-	[[Category: ~~Deacetylation~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Histone deacetylase~~]]	+	[[Category: Barinka C]]
-	[[Category: ~~Hydrolase~~]]	+	[[Category: Motlova L]]
-	[[Category: ~~Inhibitor~~]]	+	[[Category: Ustinova K]]

OCA at 06:15, 11 August 2021

OCA — Wed, 11 Aug 2021 06:15:17 GMT

←Older revision		Revision as of 06:15, 11 August 2021
Line 1:		Line 1:

	==X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101==		==X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101==
-	<StructureSection load='6zw1' size='340' side='right'caption='[[6zw1]]' scene=''>	+	<StructureSection load='6zw1' size='340' side='right'caption='[[6zw1]], [[Resolution\|resolution]] 1.13Å' 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=6ZW1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZW1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6zw1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Brachidanio_rerio Brachidanio rerio]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZW1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZW1 FirstGlance]. <br>
-	</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=6zw1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zw1 OCA], [https://pdbe.org/6zw1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6zw1 RCSB], [https://www.ebi.ac.uk/pdbsum/6zw1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6zw1 ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=QRB:1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide'>QRB</scene>, <scene name='pdbligand=SCN:THIOCYANATE+ION'>SCN</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">hdac6 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7955 Brachidanio rerio])</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=6zw1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zw1 OCA], [https://pdbe.org/6zw1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6zw1 RCSB], [https://www.ebi.ac.uk/pdbsum/6zw1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6zw1 ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Histone deacetylase 6 (HDAC6) is a promising therapeutic target for the treatment of neurodegenerative disorders. SW-100 (1a), a phenylhydroxamate-based HDAC6 inhibitor (HDAC6i) bearing a tetrahydroquinoline (THQ) capping group, is a highly potent and selective HDAC6i that was shown to be effective in mouse models of Fragile X syndrome and Charcot-Marie-Tooth disease type 2A (CMT2A). In this study, we report the discovery of a new THQ-capped HDAC6i, termed SW-101 (1s), that possesses excellent HDAC6 potency and selectivity, together with markedly improved metabolic stability and druglike properties compared to SW-100 (1a). X-ray crystallography data reveal the molecular basis of HDAC6 inhibition by SW-101 (1s). Importantly, we demonstrate that SW-101 (1s) treatment elevates the impaired level of acetylated alpha-tubulin in the distal sciatic nerve, counteracts progressive motor dysfunction, and ameliorates neuropathic symptoms in a CMT2A mouse model bearing mutant MFN2. Taken together, these results bode well for the further development of SW-101 (1s) as a disease-modifying HDAC6i.
		+
		+	Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model.,Shen S, Picci C, Ustinova K, Benoy V, Kutil Z, Zhang G, Tavares MT, Pavlicek J, Zimprich CA, Robers MB, Van Den Bosch L, Barinka C, Langley B, Kozikowski AP J Med Chem. 2021 Apr 22;64(8):4810-4840. doi: 10.1021/acs.jmedchem.0c02210. Epub , 2021 Apr 8. PMID:33830764<ref>PMID:33830764</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6zw1" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Brachidanio rerio]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Barinka C]]	+	[[Category: Barinka, C]]
-	[[Category: Motlova L]]	+	[[Category: Motlova, L]]
-	[[Category: Ustinova K]]	+	[[Category: Ustinova, K]]
		+	[[Category: Danio rerio]]
		+	[[Category: Deacetylation]]
		+	[[Category: Histone deacetylase]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]

OCA at 10:16, 4 August 2021

OCA — Wed, 04 Aug 2021 10:16:16 GMT

←Older revision		Revision as of 10:16, 4 August 2021
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-	'''Unreleased structure'''

-	~~The entry~~ 6zw1 is ~~ON HOLD until Paper Publication~~	+	==X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101==
-		+	<StructureSection load='6zw1' size='340' side='right'caption='[[6zw1]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZW1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZW1 FirstGlance]. <br>
-	~~Description~~:	+	</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=6zw1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zw1 OCA], [https://pdbe.org/6zw1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6zw1 RCSB], [https://www.ebi.ac.uk/pdbsum/6zw1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6zw1 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Barinka C]]
		+	[[Category: Motlova L]]
		+	[[Category: Ustinova K]]

OCA at 04:57, 2 September 2020

OCA — Wed, 02 Sep 2020 04:57:10 GMT

←Older revision		Revision as of 04:57, 2 September 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6zw1 is ON HOLD	+	The entry 6zw1 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6zw1" [edit=sysop:move=sysop]

OCA — Wed, 05 Aug 2020 04:00:02 GMT

Protected "6zw1" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:00, 5 August 2020

OCA: New page: '''Unreleased structure''' The entry 6zw1 is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 05 Aug 2020 04:00:00 GMT

New page: '''Unreleased structure''' The entry 6zw1 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6zw1 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]