4y2b
From Proteopedia
(Difference between revisions)
| (4 intermediate revisions not shown.) | |||
| Line 1: | Line 1: | ||
| + | |||
==Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A== | ==Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A== | ||
| - | <StructureSection load='4y2b' size='340' side='right' caption='[[4y2b]], [[Resolution|resolution]] 2.20Å' scene=''> | + | <StructureSection load='4y2b' size='340' side='right'caption='[[4y2b]], [[Resolution|resolution]] 2.20Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[4y2b]] is a 1 chain structure. 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 [ | + | <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> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><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><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2Å</td></tr> |
| - | + | <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> | |
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | <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> |
</table> | </table> | ||
== Function == | == Function == | ||
| - | [ | + | [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> |
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | 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. | ||
| + | |||
| + | 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> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 4y2b" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Phosphodiesterase 3D structures|Phosphodiesterase 3D structures]] | ||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| - | [[Category: | + | [[Category: Homo sapiens]] |
| - | [[Category: Amano | + | [[Category: Large Structures]] |
| - | [[Category: Asano | + | [[Category: Amano S]] |
| - | [[Category: Asanuma | + | [[Category: Asano T]] |
| - | [[Category: Endo | + | [[Category: Asanuma Y]] |
| - | [[Category: Irie | + | [[Category: Endo Y]] |
| - | [[Category: Kamei | + | [[Category: Irie T]] |
| - | [[Category: Kawai | + | [[Category: Kamei N]] |
| - | [[Category: Onodera | + | [[Category: Kawai K]] |
| - | [[Category: Sawada | + | [[Category: Onodera Y]] |
| - | [[Category: Sonoda | + | [[Category: Sawada K]] |
| - | [[Category: Takahashi | + | [[Category: Sonoda Y]] |
| - | [[Category: Ueo | + | [[Category: Takahashi N]] |
| - | + | [[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
| |||||||||||
Categories: Homo sapiens | Large Structures | Amano S | Asano T | Asanuma Y | Endo Y | Irie T | Kamei N | Kawai K | Onodera Y | Sawada K | Sonoda Y | Takahashi N | Ueo N
