6qxd - Revision history

OCA at 12:10, 24 January 2024

OCA — Wed, 24 Jan 2024 12:10:25 GMT

←Older revision		Revision as of 12:10, 24 January 2024
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	<StructureSection load='6qxd' size='340' side='right'caption='[[6qxd]], [[Resolution\|resolution]] 2.32Å' scene=''>		<StructureSection load='6qxd' size='340' side='right'caption='[[6qxd]], [[Resolution\|resolution]] 2.32Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6qxd]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QXD OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6QXD FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6qxd]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Priestia_megaterium Priestia megaterium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QXD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6QXD FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=JKB:(2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone'>JKB</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]] 2.317Å</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=6qxd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qxd OCA], [~~http~~://pdbe.org/6qxd PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6qxd RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6qxd PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6qxd ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=JKB:(2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone'>JKB</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=6qxd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qxd OCA], [https://pdbe.org/6qxd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6qxd RCSB], [https://www.ebi.ac.uk/pdbsum/6qxd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6qxd ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/B2ZB02_PRIMG B2ZB02_PRIMG]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6qxd" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6qxd" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Tyrosinase 3D structures\|Tyrosinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Fishman, A]]~~	+	[[Category: Priestia megaterium]]
-	~~[[Category: Gitto, R]]~~	+	[[Category: Deri Zenaty B]]
-	~~[[Category: Pazy, Y~~]]	+	[[Category: Fishman A]]
-	[[Category: Zenaty, B ~~Deri~~]]	+	[[Category: Gitto R]]
-	[[Category: ~~Inhibitor~~]]	+	[[Category: Pazy Y]]
-	[[Category: ~~Ligand~~]]	+
-	[[Category: ~~Oxidoreductase]]~~	+
-	~~[[Category: Tyrosinase~~]]	+

OCA at 07:42, 26 June 2019

OCA — Wed, 26 Jun 2019 07:42:17 GMT

←Older revision		Revision as of 07:42, 26 June 2019
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	<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=6qxd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qxd OCA], [http://pdbe.org/6qxd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qxd RCSB], [http://www.ebi.ac.uk/pdbsum/6qxd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qxd 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=6qxd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qxd OCA], [http://pdbe.org/6qxd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qxd RCSB], [http://www.ebi.ac.uk/pdbsum/6qxd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qxd ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The development of Tyrosinase inhibitors (TYRIs) could represent an efficacious strategy for pharmacological intervention on skin pathologies related to aberrant production of melanin. Based on in silico studies we designed and tested a library of twenty-four compounds bearing the 4-(4-fluorobenzyl)piperazin-1-yl]-fragment. As result, we identified several compounds with excellent inhibit effects at low micromolar concentration against TYR from Agaricus bisporus (TyM). Among them, compound 25 (IC50=0.96muM) proved to be approximately 20-fold more potent than the reference compound kojic acid (IC50=17.76muM) having wide applications in the cosmetics and pharmaceutical industries. The mode of interaction of active inhibitor 25 was deciphered by means of crystallography as well as molecular docking and these results were consistent with kinetic experiments. Moreover, the identified compound 25 exhibited no considerable cytotoxicity and showed anti-melanogenic effects on B16F10 melanoma cells. Therefore, a combination of computational and biochemical approaches could represent a rational guidelines for further structural modification of this class of compounds as future anti-melanogenic agents.
		+
		+	Exploiting the 1-(4-fluorobenzyl)piperazine fragment for the development of novel tyrosinase inhibitors as anti-melanogenic agents: Design, synthesis, structural insights and biological profile.,Ielo L, Deri B, Germano MP, Vittorio S, Mirabile S, Gitto R, Rapisarda A, Ronsisvalle S, Floris S, Pazy Y, Fais A, Fishman A, De Luca L Eur J Med Chem. 2019 Jun 6;178:380-389. doi: 10.1016/j.ejmech.2019.06.019. PMID:31202126<ref>PMID:31202126</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6qxd" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 06:16, 19 June 2019

OCA — Wed, 19 Jun 2019 06:16:57 GMT

←Older revision		Revision as of 06:16, 19 June 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6qxd ~~is ON HOLD until Paper Publication~~	+	==Crystal Structure of tyrosinase from Bacillus megaterium with JKB inhibitor in the active site.==
-		+	<StructureSection load='6qxd' size='340' side='right'caption='[[6qxd]], [[Resolution\|resolution]] 2.32Å' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6qxd]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QXD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QXD FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=JKB:(2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone'>JKB</scene></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	<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=6qxd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qxd OCA], [http://pdbe.org/6qxd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qxd RCSB], [http://www.ebi.ac.uk/pdbsum/6qxd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qxd ProSAT]</span></td></tr>
		+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Fishman, A]]
		+	[[Category: Gitto, R]]
		+	[[Category: Pazy, Y]]
		+	[[Category: Zenaty, B Deri]]
		+	[[Category: Inhibitor]]
		+	[[Category: Ligand]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Tyrosinase]]

OCA at 06:06, 20 March 2019

OCA — Wed, 20 Mar 2019 06:06:54 GMT

←Older revision		Revision as of 06:06, 20 March 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

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

OCA — Wed, 13 Mar 2019 10:30:22 GMT

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

←Older revision

Revision as of 10:30, 13 March 2019

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

OCA — Wed, 13 Mar 2019 10:30:20 GMT

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

New page

'''Unreleased structure'''

The entry 6qxd is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]