6cjr - Revision history

OCA at 15:06, 4 October 2023

OCA — Wed, 04 Oct 2023 15:06:13 GMT

←Older revision		Revision as of 15:06, 4 October 2023
Line 3:		Line 3:
	<StructureSection load='6cjr' size='340' side='right'caption='[[6cjr]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='6cjr' size='340' side='right'caption='[[6cjr]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6cjr]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Canal Canal~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CJR OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6CJR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6cjr]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Candida_albicans_SC5314 Candida albicans SC5314]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CJR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6CJR FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=E0G:4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide'>E0G</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</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]] 1.8Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6cji\|6cji]], [[6cjj\|6cjj]], [[6cjl\|6cjl]], [[6cjp\|6cjp]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E0G:4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide'>E0G</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90, CAALFM_C702030WA, CaJ7.0234, CaO19.13868, CaO19.6515 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=237561 CANAL])</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=6cjr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cjr OCA], [https://pdbe.org/6cjr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6cjr RCSB], [https://www.ebi.ac.uk/pdbsum/6cjr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6cjr ProSAT]</span></td></tr>
-	<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=6cjr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cjr OCA], [~~http~~://pdbe.org/6cjr PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6cjr RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6cjr PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6cjr ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/HSP90_CANAL HSP90_CANAL]] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function (By similarity).	+	[https://www.uniprot.org/uniprot/HSP90_CANAL HSP90_CANAL] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function (By similarity).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 6cjr" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6cjr" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Heat Shock Protein structures\|Heat Shock Protein structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Canal~~]]	+	[[Category: Candida albicans SC5314]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Kirkpatrick~~, M G~~]]	+	[[Category: Kirkpatrick MG]]
-	[[Category: Pizarro~~, J C]]~~	+	[[Category: Pizarro JC]]
-	~~[[Category: Chaperone]]~~	+
-	~~[[Category: Hsp90. atpase~~]]	+

OCA at 09:45, 18 December 2019

OCA — Wed, 18 Dec 2019 09:45:28 GMT

←Older revision		Revision as of 09:45, 18 December 2019
Line 1:		Line 1:

	==Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112==		==Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112==
-	<StructureSection load='6cjr' size='340' side='right' caption='[[6cjr]], [[Resolution\|resolution]] 1.80Å' scene=''>	+	<StructureSection load='6cjr' size='340' side='right'caption='[[6cjr]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[6cjr]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Canal Canal]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CJR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CJR FirstGlance]. <br>		<table><tr><td colspan='2'>[[6cjr]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Canal Canal]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CJR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CJR FirstGlance]. <br>
Line 25:		Line 25:
	</StructureSection>		</StructureSection>
	[[Category: Canal]]		[[Category: Canal]]
		+	[[Category: Large Structures]]
	[[Category: Kirkpatrick, M G]]		[[Category: Kirkpatrick, M G]]
	[[Category: Pizarro, J C]]		[[Category: Pizarro, J C]]
	[[Category: Chaperone]]		[[Category: Chaperone]]
	[[Category: Hsp90. atpase]]		[[Category: Hsp90. atpase]]

OCA at 09:45, 13 February 2019

OCA — Wed, 13 Feb 2019 09:45:33 GMT

←Older revision		Revision as of 09:45, 13 February 2019
Line 3:		Line 3:
	<StructureSection load='6cjr' size='340' side='right' caption='[[6cjr]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='6cjr' size='340' side='right' caption='[[6cjr]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6cjr]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CJR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CJR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6cjr]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Canal Canal]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CJR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CJR FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=E0G:4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide'>E0G</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=E0G:4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide'>E0G</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6cji\|6cji]], [[6cjj\|6cjj]], [[6cjl\|6cjl]], [[6cjp\|6cjp]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6cji\|6cji]], [[6cjj\|6cjj]], [[6cjl\|6cjl]], [[6cjp\|6cjp]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90, CAALFM_C702030WA, CaJ7.0234, CaO19.13868, CaO19.6515 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=237561 CANAL])</td></tr>
	<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=6cjr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cjr OCA], [http://pdbe.org/6cjr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cjr RCSB], [http://www.ebi.ac.uk/pdbsum/6cjr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cjr ProSAT]</span></td></tr>		<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=6cjr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cjr OCA], [http://pdbe.org/6cjr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cjr RCSB], [http://www.ebi.ac.uk/pdbsum/6cjr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cjr ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/HSP90_CANAL HSP90_CANAL]] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function (By similarity).		[[http://www.uniprot.org/uniprot/HSP90_CANAL HSP90_CANAL]] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function (By similarity).
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	New strategies are needed to counter the escalating threat posed by drug-resistant fungi. The molecular chaperone Hsp90 affords a promising target because it supports survival, virulence and drug-resistance across diverse pathogens. Inhibitors of human Hsp90 under development as anticancer therapeutics, however, exert host toxicities that preclude their use as antifungals. Seeking a route to species-selectivity, we investigate the nucleotide-binding domain (NBD) of Hsp90 from the most common human fungal pathogen, Candida albicans. Here we report structures for this NBD alone, in complex with ADP or in complex with known Hsp90 inhibitors. Encouraged by the conformational flexibility revealed by these structures, we synthesize an inhibitor with >25-fold binding-selectivity for fungal Hsp90 NBD. Comparing co-crystals occupied by this probe vs. anticancer Hsp90 inhibitors revealed major, previously unreported conformational rearrangements. These insights and our probe's species-selectivity in culture support the feasibility of targeting Hsp90 as a promising antifungal strategy.
		+
		+	Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.,Whitesell L, Robbins N, Huang DS, McLellan CA, Shekhar-Guturja T, LeBlanc EV, Nation CS, Hui R, Hutchinson A, Collins C, Chatterjee S, Trilles R, Xie JL, Krysan DJ, Lindquist S, Porco JA Jr, Tatu U, Brown LE, Pizarro J, Cowen LE Nat Commun. 2019 Jan 24;10(1):402. doi: 10.1038/s41467-018-08248-w. PMID:30679438<ref>PMID:30679438</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6cjr" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Canal]]
	[[Category: Kirkpatrick, M G]]		[[Category: Kirkpatrick, M G]]
	[[Category: Pizarro, J C]]		[[Category: Pizarro, J C]]
	[[Category: Chaperone]]		[[Category: Chaperone]]
	[[Category: Hsp90. atpase]]		[[Category: Hsp90. atpase]]

OCA at 08:15, 30 January 2019

OCA — Wed, 30 Jan 2019 08:15:02 GMT

←Older revision		Revision as of 08:15, 30 January 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6cjr is ~~ON HOLD until Paper Publication~~	+	==Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112==
-		+	<StructureSection load='6cjr' size='340' side='right' caption='[[6cjr]], [[Resolution\|resolution]] 1.80Å' scene=''>
-	~~Authors~~: ~~Kirkpatrick~~, M.G., ~~Pizarro~~, J.C.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6cjr]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CJR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CJR FirstGlance]. <br>
-	~~Description~~: ~~Candida albicans Hsp90 nucleotide binding domain in complex with SNX~~-~~2112~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=E0G:4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide'>E0G</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6cji\|6cji]], [[6cjj\|6cjj]], [[6cjl\|6cjl]], [[6cjp\|6cjp]]</td></tr>
-	[[Category: Kirkpatrick, M.G]]	+	<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=6cjr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cjr OCA], [http://pdbe.org/6cjr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cjr RCSB], [http://www.ebi.ac.uk/pdbsum/6cjr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cjr ProSAT]</span></td></tr>
-	[[Category: Pizarro, J.C]]	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/HSP90_CANAL HSP90_CANAL]] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function (By similarity).
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Kirkpatrick, M G]]
		+	[[Category: Pizarro, J C]]
		+	[[Category: Chaperone]]
		+	[[Category: Hsp90. atpase]]

OCA at 06:07, 21 March 2018

OCA — Wed, 21 Mar 2018 06:07:33 GMT

←Older revision		Revision as of 06:07, 21 March 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Kirkpatrick, M.G., Pizarro, J.C.		Authors: Kirkpatrick, M.G., Pizarro, J.C.

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

OCA — Thu, 08 Mar 2018 03:49:19 GMT

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

←Older revision

Revision as of 03:49, 8 March 2018

OCA: New page: '''Unreleased structure''' The entry 6cjr is ON HOLD Authors: Kirkpatrick, M.G., Pizarro, J.C. Description: Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112 [[...

OCA — Thu, 08 Mar 2018 03:49:18 GMT

New page: '''Unreleased structure''' The entry 6cjr is ON HOLD Authors: Kirkpatrick, M.G., Pizarro, J.C. Description: Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112 [[...

New page

'''Unreleased structure'''

The entry 6cjr is ON HOLD

Authors: Kirkpatrick, M.G., Pizarro, J.C.

Description: Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112
[[Category: Unreleased Structures]]
[[Category: Kirkpatrick, M.G]]
[[Category: Pizarro, J.C]]