5x74: Difference between revisions

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'''Unreleased structure'''


The entry 5x74 is ON HOLD
==The crystal Structure PDE delta in complex with compound (R, R)-1g==
<StructureSection load='5x74' size='340' side='right'caption='[[5x74]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5x74]] 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=5X74 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5X74 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]] 2.25&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JAY:(2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one'>JAY</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=5x74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5x74 OCA], [https://pdbe.org/5x74 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5x74 RCSB], [https://www.ebi.ac.uk/pdbsum/5x74 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5x74 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/PDE6D_HUMAN PDE6D_HUMAN] Acts as a GTP specific dissociation inhibitor (GDI). Increases the affinity of ARL3 for GTP by several orders of magnitude and does so by decreasing the nucleotide dissociation rate. Stabilizes Arl3-GTP by decreasing the nucleotide dissociation (By similarity).
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Structural biology is a powerful tool for investigating the stereospecific interactions between a protein and its ligand. Herein, an unprecedented chiral binding pattern was observed for inhibitors of KRAS-PDEdelta interactions. Virtual screening and X-ray crystallography studies revealed that two enantiomers of a racemic inhibitor could bind at different sites. Fragment-based drug design was used to identify highly potent PDEdelta inhibitors that can be used as promising lead compounds for target validation and antitumor drug development.


Authors: Jiang, Y., Zhuang, C., Chen, L., Wang, R., Wang, F., Sheng, C.
Structural Biology-Inspired Discovery of Novel KRAS-PDEdelta Inhibitors.,Jiang Y, Zhuang C, Chen L, Lu J, Dong G, Miao Z, Zhang W, Li J, Sheng C J Med Chem. 2017 Oct 3. doi: 10.1021/acs.jmedchem.7b01243. PMID:28929751<ref>PMID:28929751</ref>


Description: The crystal Structure PDE delta in complex with compound (R, R)-1g
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Jiang, Y]]
<div class="pdbe-citations 5x74" style="background-color:#fffaf0;"></div>
[[Category: Zhuang, C]]
== References ==
[[Category: Wang, R]]
<references/>
[[Category: Wang, F]]
__TOC__
[[Category: Sheng, C]]
</StructureSection>
[[Category: Chen, L]]
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Chen L]]
[[Category: Jiang Y]]
[[Category: Sheng C]]
[[Category: Wang F]]
[[Category: Wang R]]
[[Category: Zhuang C]]
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