7p7o - Revision history

OCA at 13:02, 1 February 2024

OCA — Thu, 01 Feb 2024 13:02:01 GMT

←Older revision		Revision as of 13:02, 1 February 2024
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-	'''Unreleased structure'''

-	~~The entry~~ 7p7o is ~~ON HOLD until Paper~~ Publication	+	==X-RAY CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII UREASE INHIBITED BY THE GOLD(I)-DIPHOSPHINE COMPOUND Au(PEt3)2Cl DETERMINED AT 1.87 ANGSTROMS==
		+	<StructureSection load='7p7o' size='340' side='right'caption='[[7p7o]], [[Resolution\|resolution]] 1.87Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7p7o]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Sporosarcina_pasteurii Sporosarcina pasteurii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7P7O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7P7O FirstGlance]. <br>
		+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.87Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AUF:TRIETHYLPHOSPHANUIDYLGOLD(1+)'>AUF</scene>, <scene name='pdbligand=CXM:N-CARBOXYMETHIONINE'>CXM</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=KCX:LYSINE+NZ-CARBOXYLIC+ACID'>KCX</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=O:OXYGEN+ATOM'>O</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=7p7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7p7o OCA], [https://pdbe.org/7p7o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7p7o RCSB], [https://www.ebi.ac.uk/pdbsum/7p7o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7p7o ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/URE3_SPOPA URE3_SPOPA]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A few gold compounds were recently found to show antimicrobial properties in vitro, holding great promise for the discovery of new drugs to overcome antibiotic resistance. Here, the inhibition of the bacterial virulence factor urease by four Au(I)-compounds, namely Au(PEt(3))Cl, Au(PEt(3))Br, Au(PEt(3))I and [Au(PEt(3))(2)]Cl, obtained from the antiarthritic Au(I)-drug Auranofin and earlier reported to act as antimicrobials, is investigated. The three monophosphino Au(I) complexes showed IC(50) values in the 30-100 nM range, while the diphosphino Au(I) complex, though being less active, still showed a IC(50) value of 7 muM. The structural basis for this inhibition was provided by solving the crystal structures of urease co-crystallized with Au(PEt(3))I and [Au(PEt(3))(2)]Cl: at least two Au(I) ions bind the enzyme in a flap domain involved in the catalysis, thus obliterating enzyme activity. Peculiar changes observed in the two structures reveal implications for the mechanism of soft metal binding and enzyme inactivation.

-	~~Authors~~: Mazzei, L~~., Ciurli, S.~~, Cianci, M., Messori, L., ~~Massai, L~~.	+	Medicinal Au(I) compounds targeting urease as prospective antimicrobial agents: unveiling the structural basis for enzyme inhibition.,Mazzei L, Massai L, Cianci M, Messori L, Ciurli S Dalton Trans. 2021 Oct 19;50(40):14444-14452. doi: 10.1039/d1dt02488d. PMID:34585201<ref>PMID:34585201</ref>

-	~~Description: X~~-~~RAY CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII UREASE INHIBITED BY THE GOLD(I)~~-~~DIPHOSPHINE COMPOUND Au(PEt3)2Cl DETERMINED AT 1.87 ANGSTROMS~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: Cianci, M]]	+	<div class="pdbe-citations 7p7o" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Messori, L~~]]	+	== References ==
-	[[Category: Massai, L]]	+	<references/>
-	[[Category: Mazzei, L]]	+	__TOC__
-	[[Category: ~~Ciurli, S~~]]	+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Sporosarcina pasteurii]]
		+	[[Category: Cianci M]]
		+	[[Category: Ciurli S]]
		+	[[Category: Massai L]]
		+	[[Category: Mazzei L]]
		+	[[Category: Messori L]]

OCA at 08:07, 15 September 2021

OCA — Wed, 15 Sep 2021 08:07:38 GMT

←Older revision		Revision as of 08:07, 15 September 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7p7o is ON HOLD	+	The entry 7p7o is ON HOLD until Paper Publication

	Authors: Mazzei, L., Ciurli, S., Cianci, M., Messori, L., Massai, L.		Authors: Mazzei, L., Ciurli, S., Cianci, M., Messori, L., Massai, L.

OCA at 07:26, 8 September 2021

OCA — Wed, 08 Sep 2021 07:26:42 GMT

←Older revision		Revision as of 07:26, 8 September 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7p7o is ON HOLD ~~until Paper Publication~~	+	The entry 7p7o is ON HOLD

	Authors: Mazzei, L., Ciurli, S., Cianci, M., Messori, L., Massai, L.		Authors: Mazzei, L., Ciurli, S., Cianci, M., Messori, L., Massai, L.

OCA at 05:08, 25 August 2021

OCA — Wed, 25 Aug 2021 05:08:41 GMT

←Older revision		Revision as of 05:08, 25 August 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7p7o is ON HOLD	+	The entry 7p7o is ON HOLD until Paper Publication

	Authors: Mazzei, L., Ciurli, S., Cianci, M., Messori, L., Massai, L.		Authors: Mazzei, L., Ciurli, S., Cianci, M., Messori, L., Massai, L.
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	Description: X-RAY CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII UREASE INHIBITED BY THE GOLD(I)-DIPHOSPHINE COMPOUND Au(PEt3)2Cl DETERMINED AT 1.87 ANGSTROMS		Description: X-RAY CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII UREASE INHIBITED BY THE GOLD(I)-DIPHOSPHINE COMPOUND Au(PEt3)2Cl DETERMINED AT 1.87 ANGSTROMS
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
		+	[[Category: Cianci, M]]
	[[Category: Messori, L]]		[[Category: Messori, L]]
-	[[Category: Mazzei, L]]
	[[Category: Massai, L]]		[[Category: Massai, L]]
		+	[[Category: Mazzei, L]]
	[[Category: Ciurli, S]]		[[Category: Ciurli, S]]
-	[[Category: Cianci, M]]

OCA: Protected "7p7o" [edit=sysop:move=sysop]

OCA — Wed, 28 Jul 2021 09:31:40 GMT

Protected "7p7o" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:31, 28 July 2021

OCA: New page: '''Unreleased structure''' The entry 7p7o is ON HOLD Authors: Mazzei, L., Ciurli, S., Cianci, M., Messori, L., Massai, L. Description: X-RAY CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII...

OCA — Wed, 28 Jul 2021 09:31:39 GMT

New page: '''Unreleased structure''' The entry 7p7o is ON HOLD Authors: Mazzei, L., Ciurli, S., Cianci, M., Messori, L., Massai, L. Description: X-RAY CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII...

New page

'''Unreleased structure'''

The entry 7p7o is ON HOLD

Authors: Mazzei, L., Ciurli, S., Cianci, M., Messori, L., Massai, L.

Description: X-RAY CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII UREASE INHIBITED BY THE GOLD(I)-DIPHOSPHINE COMPOUND Au(PEt3)2Cl DETERMINED AT 1.87 ANGSTROMS
[[Category: Unreleased Structures]]
[[Category: Messori, L]]
[[Category: Mazzei, L]]
[[Category: Massai, L]]
[[Category: Ciurli, S]]
[[Category: Cianci, M]]