3d3p

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{{Seed}}
 
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[[Image:3d3p.png|left|200px]]
 
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==Crystal structure of PDE4B catalytic domain in complex with a pyrazolopyridine inhibitor==
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The line below this paragraph, containing "STRUCTURE_3d3p", creates the "Structure Box" on the page.
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<StructureSection load='3d3p' size='340' side='right'caption='[[3d3p]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3d3p]] 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=3D3P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3D3P FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 1.75&#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=20A:1-ETHYL-N-(PHENYLMETHYL)-4-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE'>20A</scene>, <scene name='pdbligand=ARS:ARSENIC'>ARS</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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{{STRUCTURE_3d3p| PDB=3d3p | SCENE= }}
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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=3d3p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3d3p OCA], [https://pdbe.org/3d3p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3d3p RCSB], [https://www.ebi.ac.uk/pdbsum/3d3p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3d3p ProSAT]</span></td></tr>
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</table>
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== Function ==
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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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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/d3/3d3p_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3d3p ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Optimisation of a high-throughput screening hit resulted in the discovery of 4-(substituted amino)-1-alkyl-pyrazolo[3,4-b]pyridine-5-carboxamides as potent and selective inhibitors of Phosphodiesterase 4 (PDE4). Herein, we describe early SAR studies around this novel template highlighting preferred substituents and rationalization of SAR through X-ray crystal structures of analogues bound to the PDE4 active site. Pyrazolopyridine 20a was found to be a potent and selective PDE4 inhibitor which also inhibits LPS induced TNF-alpha production from isolated human peripheral blood mononuclear cells and has an encouraging rat PK profile suitable for oral dosing.
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===Crystal structure of PDE4B catalytic domain in complex with a pyrazolopyridine inhibitor===
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Pyrazolopyridines as a novel structural class of potent and selective PDE4 inhibitors.,Hamblin JN, Angell TD, Ballantine SP, Cook CM, Cooper AW, Dawson J, Delves CJ, Jones PS, Lindvall M, Lucas FS, Mitchell CJ, Neu MY, Ranshaw LE, Solanke YE, Somers DO, Wiseman JO Bioorg Med Chem Lett. 2008 Jul 15;18(14):4237-41. Epub 2008 May 17. PMID:18539455<ref>PMID:18539455</ref>
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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 3d3p" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_18539455}}, adds the Publication Abstract to the page
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*[[Phosphodiesterase 3D structures|Phosphodiesterase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 18539455 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_18539455}}
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__TOC__
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</StructureSection>
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==About this Structure==
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3D3P is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3D3P OCA].
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==Reference==
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<ref group="xtra">PMID:18539455</ref><references group="xtra"/>
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[[Category: 3',5'-cyclic-nucleotide phosphodiesterase]]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Neu, M.]]
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[[Category: Large Structures]]
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[[Category: Somers, D O.]]
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[[Category: Neu M]]
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[[Category: Alternative splicing]]
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[[Category: Somers DO]]
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[[Category: Camp]]
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[[Category: Hydrolase]]
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[[Category: Pde]]
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[[Category: Phosphodiesterase]]
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[[Category: Phosphoprotein]]
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[[Category: Polymorphism]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 10 21:28:40 2009''
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Current revision

Crystal structure of PDE4B catalytic domain in complex with a pyrazolopyridine inhibitor

PDB ID 3d3p

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