OCA at 08:16, 26 September 2018

OCA — Wed, 26 Sep 2018 08:16:49 GMT

←Older revision		Revision as of 08:16, 26 September 2018
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-	'''Unreleased structure'''

-	~~The entry~~ 6h8r is ~~ON HOLD~~	+	==CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2==
		+	<StructureSection load='6h8r' size='340' side='right' caption='[[6h8r]], [[Resolution\|resolution]] 1.66Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6h8r]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6H8R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6H8R FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FWB:3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol'>FWB</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] </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=6h8r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6h8r OCA], [http://pdbe.org/6h8r PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6h8r RCSB], [http://www.ebi.ac.uk/pdbsum/6h8r PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6h8r ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PTN5_HUMAN PTN5_HUMAN]] May regulate the activity of several effector molecules involved in synaptic plasticity and neuronal cell survival, including MAPKs, Src family kinases and NMDA receptors.<ref>PMID:21777200</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Protein tyrosine phosphatase non-receptor type 5 (PTPN5, STEP) is a brain specific phosphatase that regulates synaptic function and plasticity by modulation of N-methyl-d-aspartate receptor (NMDAR) and alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptor (AMPAR) trafficking. Dysregulation of STEP has been linked to neurodegenerative and neuropsychiatric diseases, highlighting this enzyme as an attractive therapeutic target for drug discovery. Selective targeting of STEP with small molecules has been hampered by high conservation of the active site among protein tyrosine phosphatases. We report the discovery of the first small molecule allosteric activator for STEP that binds to the phosphatase domain. Allosteric binding is confirmed by both X-ray and (15)N NMR experiments, and specificity has been demonstrated by an enzymatic test cascade. Molecular dynamics simulations indicate stimulation of enzymatic activity by a long-range allosteric mechanism. To allow the scientific community to make use of this tool, we offer to provide the compound in the course of an open innovation initiative.

-	~~Authors~~:	+	Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.,Tautermann CS, Binder F, Buttner FH, Eickmeier C, Fiegen D, Gross U, Grundl MA, Heilker R, Hobson S, Hoerer S, Luippold A, Mack V, Montel F, Peters S, Bhattacharya S, Vaidehi N, Schnapp G, Thamm S, Zeeb M J Med Chem. 2018 Sep 12. doi: 10.1021/acs.jmedchem.8b00857. PMID:30207464<ref>PMID:30207464</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 6h8r" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Protein-tyrosine-phosphatase]]
		+	[[Category: Fiegen, D]]
		+	[[Category: Hoerer, S]]
		+	[[Category: Schnapp, G]]
		+	[[Category: Allosteric modulator]]
		+	[[Category: Hydrolase]]
		+	[[Category: Protein phosphatase]]
		+	[[Category: Ptn5]]
		+	[[Category: Step]]

OCA: Protected "6h8r" [edit=sysop:move=sysop]

OCA — Thu, 09 Aug 2018 20:10:51 GMT

Protected "6h8r" [edit=sysop:move=sysop]

←Older revision

Revision as of 20:10, 9 August 2018

OCA: New page: '''Unreleased structure''' The entry 6h8r is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Thu, 09 Aug 2018 20:10:50 GMT

New page: '''Unreleased structure''' The entry 6h8r is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6h8r is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

6h8r - Revision history

OCA at 08:16, 26 September 2018

OCA: Protected "6h8r" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 6h8r is ON HOLD Authors: Description: Category: Unreleased Structures