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3nuu
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 3nuu is ON HOLD Authors: Campobasso, N., Ward, P. Description: phosphoinositide-dependent kinase-1 (PDK1) with fragment11 ''Page seeded by [http:/...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==phosphoinositide-dependent kinase-1 (PDK1) with fragment11== | |
| + | <StructureSection load='3nuu' size='340' side='right'caption='[[3nuu]], [[Resolution|resolution]] 1.98Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3nuu]] 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=3NUU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3NUU 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]] 1.9803Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=JOZ:3,4-DIHYDROISOQUINOLIN-1(2H)-ONE'>JOZ</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=3nuu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nuu OCA], [https://pdbe.org/3nuu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3nuu RCSB], [https://www.ebi.ac.uk/pdbsum/3nuu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3nuu ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Fragment screening of phosphoinositide-dependent kinase-1 (PDK1) in a biochemical kinase assay afforded hits that were characterized and prioritized based on ligand efficiency and binding interactions with PDK1 as determined by NMR. Subsequent crystallography and follow-up screening led to the discovery of aminoindazole 19, a potent leadlike PDK1 inhibitor with high ligand efficiency. Well-defined structure-activity relationships and protein crystallography provide a basis for further elaboration and optimization of 19 as a PDK1 inhibitor. | ||
| - | + | Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.,Medina JR, Blackledge CW, Heerding DA, Campobasso N, Ward P, Briand J, Wright L, Axten JM ACS Med Chem Lett. 2010 Jul 22;1(8):439-42. doi: 10.1021/ml100136n. eCollection, 2010 Nov 11. PMID:24900229<ref>PMID:24900229</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 3nuu" style="background-color:#fffaf0;"></div> | ||
| - | + | ==See Also== | |
| + | *[[Pdk1 3D structures|Pdk1 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Campobasso N]] | ||
| + | [[Category: Ward P]] | ||
Current revision
phosphoinositide-dependent kinase-1 (PDK1) with fragment11
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