3zvv
From Proteopedia
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| - | [[ | + | ==FRAGMENT BOUND TO PI3KINASE GAMMA== |
| + | <StructureSection load='3zvv' size='340' side='right' caption='[[3zvv]], [[Resolution|resolution]] 2.50Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3zvv]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3ZVV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ZVV FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=XAZ:5,7-DIMETHYLPYRAZOLO[1,5-A]PYRIMIDIN-2-AMINE'>XAZ</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2chz|2chz]], [[2v4l|2v4l]], [[2a4z|2a4z]], [[1e8z|1e8z]], [[1he8|1he8]], [[2chx|2chx]], [[2a5u|2a5u]], [[1e8y|1e8y]], [[2chw|2chw]]</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=3zvv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zvv OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3zvv RCSB], [http://www.ebi.ac.uk/pdbsum/3zvv PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We report the use of fragment screening and fragment based drug design to develop a PI3gamma kinase fragment hit into a lead. Initial fragment hits were discovered by high concentration biochemical screening, followed by a round of virtual screening to identify additional ligand efficient fragments. These were developed into potent and ligand efficient lead compounds using structure guided fragment growing and merging strategies. This led to a potent, selective, and cell permeable PI3gamma kinase inhibitor with good metabolic stability that was useful as a preclinical tool compound. | ||
| - | + | Fragment based discovery of a novel and selective PI3 kinase inhibitor.,Hughes SJ, Millan DS, Kilty IC, Lewthwaite RA, Mathias JP, O'Reilly MA, Pannifer A, Phelan A, Stuhmeier F, Baldock DA, Brown DG Bioorg Med Chem Lett. 2011 Aug 6. PMID:21925880<ref>PMID:21925880</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
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==See Also== | ==See Also== | ||
*[[Phosphoinositide 3-Kinases|Phosphoinositide 3-Kinases]] | *[[Phosphoinositide 3-Kinases|Phosphoinositide 3-Kinases]] | ||
| - | + | == References == | |
| - | == | + | <references/> |
| - | < | + | __TOC__ |
| + | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: Baldock, D A | + | [[Category: Baldock, D A]] |
| - | [[Category: Brown, D G | + | [[Category: Brown, D G]] |
| - | [[Category: Hughes, S J | + | [[Category: Hughes, S J]] |
| - | [[Category: Kilty, I C | + | [[Category: Kilty, I C]] |
| - | [[Category: Lewthwaite, R A | + | [[Category: Lewthwaite, R A]] |
| - | [[Category: Mathias, J P | + | [[Category: Mathias, J P]] |
| - | [[Category: Milan, D S | + | [[Category: Milan, D S]] |
| - | [[Category: Oreilly, M A | + | [[Category: Oreilly, M A]] |
| - | [[Category: Phelan, A | + | [[Category: Phelan, A]] |
[[Category: Pi3 kinase gamma]] | [[Category: Pi3 kinase gamma]] | ||
[[Category: Transferase]] | [[Category: Transferase]] | ||
Revision as of 14:59, 9 December 2014
FRAGMENT BOUND TO PI3KINASE GAMMA
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