4y2b

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'''Unreleased structure'''
 
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The entry 4y2b is ON HOLD
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==Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A==
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<StructureSection load='4y2b' size='340' side='right'caption='[[4y2b]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4y2b]] 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=4Y2B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4Y2B 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]] 2.2&#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=EPK:3-ETHYL-2-(PROPAN-2-YLAMINO)-7-(PYRIDIN-3-YL)THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE'>EPK</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=4y2b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4y2b OCA], [https://pdbe.org/4y2b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4y2b RCSB], [https://www.ebi.ac.uk/pdbsum/4y2b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4y2b ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PDE7A_HUMAN PDE7A_HUMAN] Hydrolyzes the second messenger cAMP, which is a key regulator of many important physiological processes. May have a role in muscle signal transduction.<ref>PMID:19350606</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A new series of thienopyrimidinones is synthesized and evaluated as selective phosphodiesterase 7 (PDE7) inhibitors for the treatment of inflammatory diseases. The modification of the substituents on thienopyrimidinone revealed that an isopropylamino group at the 2-position was favorable for aqueous solubility. The introduction of 3-pyrrolidines at the 7-position resulted in good solubility, highly potent activity, and good PDE7 selectivity. Among the synthesized compounds, compound 46 exhibited the greatest inhibition of ear edema in a phorbol ester-induced mouse model.
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Authors: Endo, Y., Kawai, K., Asano, T., Amano, S., Asanuma, Y., Sawada, K., Onodera, Y., Ueo, N., Takahashi, N., Sonoda, Y., Kamei, N., Irie, T.
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2-(Isopropylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as selective phosphodiesterase 7 inhibitors with potent in vivo efficacy.,Endo Y, Kawai K, Asano T, Amano S, Asanuma Y, Sawada K, Onodera Y, Ueo N, Takahashi N, Sonoda Y, Kamei N, Irie T Bioorg Med Chem Lett. 2015 May 1;25(9):1910-4. doi: 10.1016/j.bmcl.2015.03.031., Epub 2015 Mar 20. PMID:25866242<ref>PMID:25866242</ref>
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Description: Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Kawai, K]]
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<div class="pdbe-citations 4y2b" style="background-color:#fffaf0;"></div>
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[[Category: Ueo, N]]
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[[Category: Kamei, N]]
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==See Also==
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[[Category: Sonoda, Y]]
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*[[Phosphodiesterase 3D structures|Phosphodiesterase 3D structures]]
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[[Category: Amano, S]]
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== References ==
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[[Category: Onodera, Y]]
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<references/>
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[[Category: Irie, T]]
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__TOC__
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[[Category: Takahashi, N]]
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</StructureSection>
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[[Category: Asanuma, Y]]
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[[Category: Homo sapiens]]
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[[Category: Asano, T]]
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[[Category: Large Structures]]
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[[Category: Endo, Y]]
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[[Category: Amano S]]
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[[Category: Sawada, K]]
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[[Category: Asano T]]
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[[Category: Asanuma Y]]
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[[Category: Endo Y]]
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[[Category: Irie T]]
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[[Category: Kamei N]]
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[[Category: Kawai K]]
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[[Category: Onodera Y]]
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[[Category: Sawada K]]
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[[Category: Sonoda Y]]
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[[Category: Takahashi N]]
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[[Category: Ueo N]]

Current revision

Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A

PDB ID 4y2b

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