5w6e

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==PDE1b complexed with compound 3S==
==PDE1b complexed with compound 3S==
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<StructureSection load='5w6e' size='340' side='right' caption='[[5w6e]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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<StructureSection load='5w6e' size='340' side='right'caption='[[5w6e]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5w6e]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5W6E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5W6E FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5w6e]] 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=5W6E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5W6E 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=0NY:7,8-DIMETHOXY-N-[(2S)-1-(3-METHYL-1H-PYRAZOL-5-YL)PROPAN-2-YL]QUINAZOLIN-4-AMINE'>0NY</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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]] 1.9&#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=0NY:7,8-DIMETHOXY-N-[(2S)-1-(3-METHYL-1H-PYRAZOL-5-YL)PROPAN-2-YL]QUINAZOLIN-4-AMINE'>0NY</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5w6e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w6e OCA], [http://pdbe.org/5w6e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5w6e RCSB], [http://www.ebi.ac.uk/pdbsum/5w6e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5w6e 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=5w6e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5w6e OCA], [https://pdbe.org/5w6e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5w6e RCSB], [https://www.ebi.ac.uk/pdbsum/5w6e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5w6e ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/PDE1B_HUMAN PDE1B_HUMAN]] Cyclic nucleotide phosphodiesterase with a dual-specificity for the second messengers cAMP and cGMP, which are key regulators of many important physiological processes. Has a preference for cGMP as a substrate.
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[https://www.uniprot.org/uniprot/PDE1B_HUMAN PDE1B_HUMAN] Cyclic nucleotide phosphodiesterase with a dual-specificity for the second messengers cAMP and cGMP, which are key regulators of many important physiological processes. Has a preference for cGMP as a substrate.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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We disclose the discovery and X-ray cocrystal data of potent, selective quinazoline inhibitors of PDE1. Inhibitor ( S)-3 readily attains free plasma concentrations above PDE1 IC50 values and has restricted brain access. The racemic compound 3 inhibits &gt;75% of PDE hydrolytic activity in soluble samples of human myocardium, consistent with heightened PDE1 activity in this tissue. These compounds represent promising new tools to probe the value of PDE1 inhibition in the treatment of cardiovascular disease.
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Discovery of Potent and Selective Periphery-Restricted Quinazoline Inhibitors of the Cyclic Nucleotide Phosphodiesterase PDE1.,Humphrey JM, Movsesian M, Am Ende CW, Becker SL, Chappie TA, Jenkinson S, Liras JL, Liras S, Orozco C, Pandit J, Vajdos FF, Vandeput F, Yang E, Menniti FS J Med Chem. 2018 May 24;61(10):4635-4640. doi: 10.1021/acs.jmedchem.8b00374. Epub, 2018 May 10. PMID:29718668<ref>PMID:29718668</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 5w6e" style="background-color:#fffaf0;"></div>
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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-nucleotide phosphodiesterase]]
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[[Category: Homo sapiens]]
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[[Category: Vajdos, F F]]
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[[Category: Large Structures]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Vajdos FF]]
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[[Category: Inhibitor]]
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[[Category: Phosphodiesterase]]
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Current revision

PDE1b complexed with compound 3S

PDB ID 5w6e

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