3ow3

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{{STRUCTURE_3ow3| PDB=3ow3 | SCENE= }}
 
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===Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors===
 
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{{ABSTRACT_PUBMED_20971641}}
 
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==About this Structure==
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==Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors==
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[[3ow3]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3OW3 OCA].
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<StructureSection load='3ow3' size='340' side='right'caption='[[3ow3]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3ow3]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3OW3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3OW3 FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=SMY:(2R)-3-(1H-INDOL-3-YL)-1-{4-[(5S)-5-METHYL-5,7-DIHYDROTHIENO[3,4-D]PYRIMIDIN-4-YL]PIPERAZIN-1-YL}-1-OXOPROPAN-2-AMINE'>SMY</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3ow3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ow3 OCA], [https://pdbe.org/3ow3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ow3 RCSB], [https://www.ebi.ac.uk/pdbsum/3ow3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ow3 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/IPKA_MOUSE IPKA_MOUSE] Extremely potent competitive inhibitor of cAMP-dependent protein kinase activity, this protein interacts with the catalytic subunit of the enzyme after the cAMP-induced dissociation of its regulatory chains.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Herein we report the discovery and synthesis of a novel series of dihydrothieno- and dihydrofuropyrimidines (2 and 3) as potent pan Akt inhibitors. Utilizing previous SAR and analysis of the amino acid sequences in the binding site we have designed inhibitors displaying increased PKA and general kinase selectivity with improved tolerability compared to the progenitor pyrrolopyrimidine (1). A representative dihydrothieno compound (34) was advanced into a PC3-NCI prostate mouse tumor model in which it demonstrated a dose-dependent reduction in tumor growth and stasis when dosed orally daily at 200mg/kg.
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==See Also==
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Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.,Bencsik JR, Xiao D, Blake JF, Kallan NC, Mitchell IS, Spencer KL, Xu R, Gloor SL, Martinson M, Risom T, Woessner RD, Dizon F, Wu WI, Vigers GP, Brandhuber BJ, Skelton NJ, Prior WW, Murray LJ Bioorg Med Chem Lett. 2010 Dec 1;20(23):7037-41. Epub 2010 Sep 29. PMID:20971641<ref>PMID:20971641</ref>
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*[[CAMP-dependent protein kinase|CAMP-dependent protein kinase]]
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<ref group="xtra">PMID:020971641</ref><references group="xtra"/>
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</div>
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<div class="pdbe-citations 3ow3" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[CAMP-dependent protein kinase 3D structures|CAMP-dependent protein kinase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Mus musculus]]
[[Category: Mus musculus]]
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[[Category: CAMP-dependent protein kinase]]
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[[Category: Brandhuber BJ]]
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[[Category: Brandhuber, B J.]]
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[[Category: Dizon F]]
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[[Category: Dizon, F.]]
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[[Category: Vigers GPA]]
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[[Category: Vigers, G P.A.]]
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[[Category: Wu W]]
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[[Category: Wu, W.]]
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[[Category: Cyclic-amp dependent protein kinase]]
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[[Category: Transferase-transferase inhibitor complex]]
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Current revision

Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors

PDB ID 3ow3

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