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3tgg

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==A novel series of potent and selective PDE5 inhibitor2==
==A novel series of potent and selective PDE5 inhibitor2==
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<StructureSection load='3tgg' size='340' side='right' caption='[[3tgg]], [[Resolution|resolution]] 1.91&Aring;' scene=''>
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<StructureSection load='3tgg' size='340' side='right'caption='[[3tgg]], [[Resolution|resolution]] 1.91&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3tgg]] is a 1 chain structure with 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=3TGG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TGG FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3tgg]] 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=3TGG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TGG FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0H3:7-(6-METHOXYPYRIDIN-3-YL)-4-{[2-(PROPAN-2-YLOXY)ETHYL]AMINO}-1-(2-PROPOXYETHYL)PYRIDO[4,3-D]PYRIMIDIN-2(1H)-ONE'>0H3</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><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]] 1.91&#8491;</td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3tge|3tge]]</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=0H3:7-(6-METHOXYPYRIDIN-3-YL)-4-{[2-(PROPAN-2-YLOXY)ETHYL]AMINO}-1-(2-PROPOXYETHYL)PYRIDO[4,3-D]PYRIMIDIN-2(1H)-ONE'>0H3</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PDE5A, PDE5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=3tgg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tgg OCA], [https://pdbe.org/3tgg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tgg RCSB], [https://www.ebi.ac.uk/pdbsum/3tgg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tgg ProSAT]</span></td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3',5'-cyclic-GMP_phosphodiesterase 3',5'-cyclic-GMP phosphodiesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.4.35 3.1.4.35] </span></td></tr>
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</table>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3tgg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tgg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tgg RCSB], [http://www.ebi.ac.uk/pdbsum/3tgg PDBsum]</span></td></tr>
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== Function ==
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<table>
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[https://www.uniprot.org/uniprot/PDE5A_HUMAN PDE5A_HUMAN] Plays a role in signal transduction by regulating the intracellular concentration of cyclic nucleotides. This phosphodiesterase catalyzes the specific hydrolysis of cGMP to 5'-GMP.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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We describe the design, synthesis and profiling of a novel series of PDE5 inhibitors. We take advantage of an alternate projection into the solvent region to identify compounds with excellent potency, selectivity and pharmacokinetic profiles.
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Investigation of the pyrazinones as PDE5 inhibitors: Evaluation of regioisomeric projections into the solvent region.,Hughes RO, Maddux T, Joseph Rogier D, Lu S, Walker JK, Jon Jacobsen E, Rumsey JM, Zheng Y, Macinnes A, Bond BR, Han S Bioorg Med Chem Lett. 2011 Nov 1;21(21):6348-52. Epub 2011 Aug 31. PMID:21955943<ref>PMID:21955943</ref>
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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==See Also==
==See Also==
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*[[Phosphodiesterase|Phosphodiesterase]]
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*[[Phosphodiesterase 3D structures|Phosphodiesterase 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: 3',5'-cyclic-GMP phosphodiesterase]]
 
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Han, S.]]
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[[Category: Large Structures]]
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[[Category: Hydrolase]]
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[[Category: Han S]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Phosphodiesterase]]
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Current revision

A novel series of potent and selective PDE5 inhibitor2

PDB ID 3tgg

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