4z41 - Revision history

OCA at 06:50, 30 September 2015

2015-09-30T06:50:37Z

←Older revision		Revision as of 06:50, 30 September 2015
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	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4KV:3-[2-CHLORANYL-2-[DIMETHYL(OXIDANYL)-{4}-SULFANYL]-4-ETHYLSULFANYL-1-OXA-3{3}-THIA-2{4}-PLATINACYCLOHEXA-3,5-DIEN-6-YL]PHENOL'>4KV</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4KV:3-[2-CHLORANYL-2-[DIMETHYL(OXIDANYL)-{4}-SULFANYL]-4-ETHYLSULFANYL-1-OXA-3{3}-THIA-2{4}-PLATINACYCLOHEXA-3,5-DIEN-6-YL]PHENOL'>4KV</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lysozyme Lysozyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.17 3.2.1.17] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lysozyme Lysozyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.17 3.2.1.17] </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=4z41 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4z41 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4z41 RCSB], [http://www.ebi.ac.uk/pdbsum/4z41 PDBsum]</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=4z41 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4z41 OCA], [http://pdbe.org/4z41 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4z41 RCSB], [http://www.ebi.ac.uk/pdbsum/4z41 PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4z41" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:23, 2 September 2015

2015-09-02T12:23:23Z

←Older revision		Revision as of 12:23, 2 September 2015
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-	'''~~Unreleased~~ structure'''	+	==X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Compound with a S,O Bidentate Ligand (9a=Chloro-(1-(3'-hydroxy)-3-(methylthio)-3-thioxo-prop-1-en-1-olate-O,S)-(dimethylsulfoxide-S)-platinum(II))==
		+	<StructureSection load='4z41' size='340' side='right' caption='[[4z41]], [[Resolution\|resolution]] 1.89Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4z41]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4Z41 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4Z41 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4KV:3-[2-CHLORANYL-2-[DIMETHYL(OXIDANYL)-{4}-SULFANYL]-4-ETHYLSULFANYL-1-OXA-3{3}-THIA-2{4}-PLATINACYCLOHEXA-3,5-DIEN-6-YL]PHENOL'>4KV</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lysozyme Lysozyme], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.17 3.2.1.17] </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=4z41 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4z41 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4z41 RCSB], [http://www.ebi.ac.uk/pdbsum/4z41 PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/LYSC_CHICK LYSC_CHICK]] Lysozymes have primarily a bacteriolytic function; those in tissues and body fluids are associated with the monocyte-macrophage system and enhance the activity of immunoagents. Has bacteriolytic activity against M.luteus.<ref>PMID:22044478</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We recently characterized a series of novel platinum(II) compounds bearing a conserved O,S binding moiety as a bifunctional ligand and evaluated their solution behavior and antiproliferative properties in vitro against a representative cancer cell line. On the whole, those platinum compounds showed an appreciable stability in mixed dimethyl sulfoxide-aqueous buffers and promising in vitro cytotoxic effects; yet they manifested a rather limited solubility in aqueous media making them poorly suitable for further pharmaceutical development. To overcome this drawback, four new derivatives of this series were prepared and characterized based on a careful choice of substituents on the O,S bidentate ligand. The solubility and stability profile of these novel compounds in a reference buffer was determined, as well as the ligands' log Po/w value (Po/w = n-octanol-water partition coefficient) as an indirect measure for the complexes' lipophilicity. The antiproliferative properties were comparatively evaluated in a panel of three cancer cell lines. The protein binding properties of the four platinum compounds were assessed using the model protein hen egg white lysozyme (HEWL), and the molecular structures of two relevant HEWL-metallodrug adducts were solved. Overall, it is shown that a proper choice of the substituents leads to a higher solubility and enables a selective fine-tuning of the antiproliferative properties. The implications of these results are thoroughly discussed.

-	~~The entry 4z41 is ON HOLD until Paper Publication~~	+	Platinum(II) Complexes with O,S Bidentate Ligands: Biophysical Characterization, Antiproliferative Activity, and Crystallographic Evidence of Protein Binding.,Mugge C, Marzo T, Massai L, Hildebrandt J, Ferraro G, Rivera-Fuentes P, Metzler-Nolte N, Merlino A, Messori L, Weigand W Inorg Chem. 2015 Aug 17. PMID:26280387<ref>PMID:26280387</ref>

-	~~Authors: Merlino~~, A.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: X-ray structure~~ of the ~~adduct formed in the reaction between lysozyme and a platinum(II) Compound with a~~ S~~,O Bidentate Ligand (9a~~=~~Chloro-(1-(3'-hydroxy)-3-(methylthio)-3-thioxo-prop-1-en-1-olate-O,S)-(dimethylsulfoxide-S)-platinum(II))~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Gallus gallus]]
		+	[[Category: Lysozyme]]
	[[Category: Merlino, A]]		[[Category: Merlino, A]]
		+	[[Category: Anticancer agent]]
		+	[[Category: Hydrolase]]
		+	[[Category: Lysozyme complex]]
		+	[[Category: Pt compound]]

OCA at 11:38, 15 April 2015

2015-04-15T11:38:25Z

←Older revision		Revision as of 11:38, 15 April 2015
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4z41 is ON HOLD	+	The entry 4z41 is ON HOLD until Paper Publication

	Authors: Merlino, A.		Authors: Merlino, A.

OCA: Protected "4z41" [edit=sysop:move=sysop]

2015-04-08T10:07:33Z

Protected "4z41" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:07, 8 April 2015

OCA: New page: '''Unreleased structure''' The entry 4z41 is ON HOLD Authors: Merlino, A. Description: X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Compound...

2015-04-08T10:07:32Z

New page: '''Unreleased structure''' The entry 4z41 is ON HOLD Authors: Merlino, A. Description: X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Compound...

New page

'''Unreleased structure'''

The entry 4z41 is ON HOLD

Authors: Merlino, A.

Description: X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Compound with a S,O Bidentate Ligand (9a=Chloro-(1-(3'-hydroxy)-3-(methylthio)-3-thioxo-prop-1-en-1-olate-O,S)-(dimethylsulfoxide-S)-platinum(II))
[[Category: Unreleased Structures]]
[[Category: Merlino, A]]