OCA at 08:27, 30 January 2019

OCA — Wed, 30 Jan 2019 08:27:01 GMT

←Older revision		Revision as of 08:27, 30 January 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6h5r is ~~ON HOLD until Paper~~ Publication	+	==Structure of the complex of a human telomeric DNA with bis(1-butyl-3-methyl-imidazole-2-ylidene) gold(I)==
		+	<StructureSection load='6h5r' size='340' side='right' caption='[[6h5r]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6h5r]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6H5R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6H5R FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FTQ:bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold'>FTQ</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SR:STRONTIUM+ION'>SR</scene></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=6h5r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6h5r OCA], [http://pdbe.org/6h5r PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6h5r RCSB], [http://www.ebi.ac.uk/pdbsum/6h5r PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6h5r ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The bis carbene gold(i) complex [Au(1-butyl-3-methyl-2-ylidene)2]PF6, ([Au(NHC)2]PF6 hereafter), holds remarkable interest as a perspective anticancer agent. The compound is stable under physiological like conditions: its original structure is retained even in the presence of excess glutathione (GSH). Previous studies revealed its high cytotoxicity in vitro that correlates with the impairment of crucial metabolic and enzymatic cellular processes (Magherini et al., Oncotarget, 2018, 9, 28042). Here, the interaction of [Au(NHC)2]PF6 with the human telomeric DNA G-quadruplex Tel23 has been investigated in solution by means of high resolution mass spectrometry. ESI MS experiments well document the formation of stable 1 : 1 adducts between the biscarbene gold complex - in its intact form - and the DNA G-quadruplex Tel23. Next, through independent biophysical methods, we show that [Au(NHC)2]PF6 binding does not significantly affect the G quadruplex melting temperature nor its conformation. The crystal structure for the [Au(NHC)2]+/Tel24 adduct was eventually determined by a joint X-ray diffraction and in silico simulation approach. Through the careful integration of solution and solid-state data, a quite clear picture emerges for the interaction of this gold complex with the Tel23 G-quadruplex.

-	~~Authors~~: ~~Bazzicalupi~~, C., Gratteri, P., ~~Papi~~, F.	+	Interaction of a gold(i) dicarbene anticancer drug with human telomeric DNA G-quadruplex: solution and computationally aided X-ray diffraction analysis.,Guarra F, Marzo T, Ferraroni M, Papi F, Bazzicalupi C, Gratteri P, Pescitelli G, Messori L, Biver T, Gabbiani C Dalton Trans. 2018 Nov 22;47(45):16132-16138. doi: 10.1039/c8dt03607a. PMID:30378627<ref>PMID:30378627</ref>

-	~~Description: Structure~~ of the ~~complex~~ of ~~a human telomeric DNA with bis(1~~-~~butyl~~-~~3-methyl-imidazole-2-ylidene) gold(I)~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 6h5r" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Bazzicalupi, C]]
	[[Category: Gratteri, P]]		[[Category: Gratteri, P]]
	[[Category: Papi, F]]		[[Category: Papi, F]]
-	[[Category: ~~Bazzicalupi, C~~]]	+	[[Category: Dna]]
		+	[[Category: Drug-dna complex]]
		+	[[Category: G quadruplex]]

OCA at 20:03, 9 August 2018

OCA — Thu, 09 Aug 2018 20:03:38 GMT

←Older revision		Revision as of 20:03, 9 August 2018
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6h5r is ON HOLD	+	The entry 6h5r is ON HOLD until Paper Publication

	Authors: Bazzicalupi, C., Gratteri, P., Papi, F.		Authors: Bazzicalupi, C., Gratteri, P., Papi, F.
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	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Gratteri, P]]		[[Category: Gratteri, P]]
-	[[Category: Bazzicalupi, C]]
	[[Category: Papi, F]]		[[Category: Papi, F]]
		+	[[Category: Bazzicalupi, C]]

OCA: Protected "6h5r" [edit=sysop:move=sysop]

OCA — Wed, 01 Aug 2018 17:18:25 GMT

Protected "6h5r" [edit=sysop:move=sysop]

←Older revision

Revision as of 17:18, 1 August 2018

OCA: New page: '''Unreleased structure''' The entry 6h5r is ON HOLD Authors: Bazzicalupi, C., Gratteri, P., Papi, F. Description: Structure of the complex of a human telomeric DNA with bis(1-butyl-3-...

OCA — Wed, 01 Aug 2018 17:18:24 GMT

New page: '''Unreleased structure''' The entry 6h5r is ON HOLD Authors: Bazzicalupi, C., Gratteri, P., Papi, F. Description: Structure of the complex of a human telomeric DNA with bis(1-butyl-3-...

New page

'''Unreleased structure'''

The entry 6h5r is ON HOLD

Authors: Bazzicalupi, C., Gratteri, P., Papi, F.

Description: Structure of the complex of a human telomeric DNA with bis(1-butyl-3-methyl-imidazole-2-ylidene) gold(I)
[[Category: Unreleased Structures]]
[[Category: Gratteri, P]]
[[Category: Bazzicalupi, C]]
[[Category: Papi, F]]

6h5r - Revision history

OCA at 08:27, 30 January 2019

OCA at 20:03, 9 August 2018

OCA: Protected "6h5r" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 6h5r is ON HOLD Authors: Bazzicalupi, C., Gratteri, P., Papi, F. Description: Structure of the complex of a human telomeric DNA with bis(1-butyl-3-...