4nw7

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==PDE4 catalytic domain==
==PDE4 catalytic domain==
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<StructureSection load='4nw7' size='340' side='right' caption='[[4nw7]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
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<StructureSection load='4nw7' size='340' side='right'caption='[[4nw7]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4nw7]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NW7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NW7 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4nw7]] 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=4NW7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NW7 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2O5:(4-{[4-(3-CHLOROPHENYL)-6-CYCLOPROPYL-1,3,5-TRIAZIN-2-YL]AMINO}PHENYL)ACETIC+ACID'>2O5</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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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]] 2.15&#8491;</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3',5'-cyclic-nucleotide_phosphodiesterase 3',5'-cyclic-nucleotide phosphodiesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.4.17 3.1.4.17] </span></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=2O5:(4-{[4-(3-CHLOROPHENYL)-6-CYCLOPROPYL-1,3,5-TRIAZIN-2-YL]AMINO}PHENYL)ACETIC+ACID'>2O5</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4nw7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nw7 OCA], [http://pdbe.org/4nw7 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4nw7 RCSB], [http://www.ebi.ac.uk/pdbsum/4nw7 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4nw7 ProSAT]</span></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=4nw7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nw7 OCA], [https://pdbe.org/4nw7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4nw7 RCSB], [https://www.ebi.ac.uk/pdbsum/4nw7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4nw7 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/PDE4B_HUMAN PDE4B_HUMAN]] Hydrolyzes the second messenger cAMP, which is a key regulator of many important physiological processes. May be involved in mediating central nervous system effects of therapeutic agents ranging from antidepressants to antiasthmatic and anti-inflammatory agents.<ref>PMID:10846163</ref> <ref>PMID:15003452</ref>
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[https://www.uniprot.org/uniprot/PDE4B_HUMAN PDE4B_HUMAN] Hydrolyzes the second messenger cAMP, which is a key regulator of many important physiological processes. May be involved in mediating central nervous system effects of therapeutic agents ranging from antidepressants to antiasthmatic and anti-inflammatory agents.<ref>PMID:10846163</ref> <ref>PMID:15003452</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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In this study we report a series of triazine derivatives that are potent inhibitors of PDE4B. We also provide a series of structure activity relationships that demonstrate the triazine core can be used to generate subtype selective inhibitors of PDE4B versus PDE4D. A high resolution co-crystal structure shows that the inhibitors interact with a C-terminal regulatory helix (CR3) locking the enzyme in an inactive 'closed' conformation. The results show that the compounds interact with both catalytic domain and CR3 residues. This provides the first structure-based approach to engineer PDE4B-selective inhibitors.
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Discovery of triazines as selective PDE4B versus PDE4D inhibitors.,Hagen TJ, Mo X, Burgin AB, Fox D 3rd, Zhang Z, Gurney ME Bioorg Med Chem Lett. 2014 Aug 15;24(16):4031-4. doi: 10.1016/j.bmcl.2014.06.002., Epub 2014 Jun 12. PMID:24998378<ref>PMID:24998378</ref>
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==See Also==
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*[[Phosphodiesterase 3D structures|Phosphodiesterase 3D structures]]
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 4nw7" style="background-color:#fffaf0;"></div>
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== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: 3',5'-cyclic-nucleotide phosphodiesterase]]
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[[Category: Homo sapiens]]
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[[Category: Edwards, T E]]
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[[Category: Large Structures]]
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[[Category: III, D Fox]]
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[[Category: Edwards TE]]
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[[Category: Catalytic]]
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[[Category: Fox III D]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Pde4]]
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[[Category: Phosphodiesterase]]
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Current revision

PDE4 catalytic domain

PDB ID 4nw7

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