7uw6 - Revision history

OCA at 17:21, 18 October 2023

OCA — Wed, 18 Oct 2023 17:21:16 GMT

←Older revision		Revision as of 17:21, 18 October 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7uw6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7UW6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7UW6 FirstGlance]. <br>		<table><tr><td colspan='2'>[[7uw6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7UW6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7UW6 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=OIF:2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic+acid'>OIF</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]] 1.5Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=OIF:2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic+acid'>OIF</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=7uw6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7uw6 OCA], [https://pdbe.org/7uw6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7uw6 RCSB], [https://www.ebi.ac.uk/pdbsum/7uw6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7uw6 ProSAT]</span></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=7uw6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7uw6 OCA], [https://pdbe.org/7uw6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7uw6 RCSB], [https://www.ebi.ac.uk/pdbsum/7uw6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7uw6 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 19:20, 19 October 2022

OCA — Wed, 19 Oct 2022 19:20:56 GMT

←Older revision		Revision as of 19:20, 19 October 2022
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-	'''Unreleased structure'''

-	The ~~entry~~ 7uw6 is ~~ON HOLD until Paper~~ Publication	+	==The co-crystal structure of low molecular weight protein tyrosine phosphatase (LMW-PTP) with a small molecule inhibitor SPAA-2==
		+	<StructureSection load='7uw6' size='340' side='right'caption='[[7uw6]], [[Resolution\|resolution]] 1.50Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7uw6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7UW6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7UW6 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=OIF:2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic+acid'>OIF</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=7uw6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7uw6 OCA], [https://pdbe.org/7uw6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7uw6 RCSB], [https://www.ebi.ac.uk/pdbsum/7uw6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7uw6 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/PPAC_HUMAN PPAC_HUMAN] Acts on tyrosine phosphorylated proteins, low-MW aryl phosphates and natural and synthetic acyl phosphates. Isoform 3 does not possess phosphatase activity.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Protein tyrosine phosphatases constitute an important class of drug targets whose potential has been limited by the paucity of drug-like small-molecule inhibitors. We recently described a class of active-site-directed, moderately selective, and potent inhibitors of the low-molecular-weight protein tyrosine phosphatase (LMW-PTP). Here, we report our extensive structure-based design and optimization effort that afforded inhibitors with vastly improved potency and specificity. The leading compound inhibits LMW-PTP potently and selectively (Ki = 1.2 nM, >8000-fold selectivity). Many compounds exhibit favorable drug-like properties, such as low molecular weight, weak cytochrome P450 inhibition, high metabolic stability, moderate to high cell permeability (Papp > 0.2 nm/s), and moderate to good oral bioavailability (% F from 23 to 50% in mice), and therefore can be used as in vivo chemical probes to further dissect the complex biological as well as pathophysiological roles of LMW-PTP and for the development of therapeutics targeting LMW-PTP.

-	~~Authors~~:	+	Structure-Based Design of Active-Site-Directed, Highly Potent, Selective, and Orally Bioavailable Low-Molecular-Weight Protein Tyrosine Phosphatase Inhibitors.,He R, Wang J, Yu ZH, Moyers JS, Michael MD, Durham TB, Cramer JW, Qian Y, Lin A, Wu L, Noinaj N, Barrett DG, Zhang ZY J Med Chem. 2022 Oct 5. doi: 10.1021/acs.jmedchem.2c01143. PMID:36197449<ref>PMID:36197449</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 7uw6" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Wang J]]
		+	[[Category: Zhang ZY]]

OCA at 03:47, 20 July 2022

OCA — Wed, 20 Jul 2022 03:47:18 GMT

←Older revision		Revision as of 03:47, 20 July 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7uw6 is ON HOLD	+	The entry 7uw6 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7uw6" [edit=sysop:move=sysop]

OCA — Thu, 12 May 2022 04:49:28 GMT

Protected "7uw6" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:49, 12 May 2022

OCA: New page: '''Unreleased structure''' The entry 7uw6 is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Thu, 12 May 2022 04:49:27 GMT

New page: '''Unreleased structure''' The entry 7uw6 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7uw6 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]