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4xue

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==Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b==
==Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b==
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<StructureSection load='4xue' size='340' side='right' caption='[[4xue]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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<StructureSection load='4xue' size='340' side='right'caption='[[4xue]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4xue]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XUE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XUE FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4xue]] is a 2 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=4XUE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4XUE 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=43J:2-(BIPHENYL-3-YL)-5-HYDROXY-3-METHYLPYRIMIDIN-4(3H)-ONE'>43J</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SAM:S-ADENOSYLMETHIONINE'>SAM</scene></td></tr>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=43J:2-(BIPHENYL-3-YL)-5-HYDROXY-3-METHYLPYRIMIDIN-4(3H)-ONE'>43J</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SAM:S-ADENOSYLMETHIONINE'>SAM</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4xuc|4xuc]], [[4xud|4xud]]</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=4xue FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xue OCA], [https://pdbe.org/4xue PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4xue RCSB], [https://www.ebi.ac.uk/pdbsum/4xue PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4xue ProSAT]</span></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">COMT ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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/Catechol_O-methyltransferase Catechol O-methyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.6 2.1.1.6] </span></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=4xue FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xue OCA], [http://pdbe.org/4xue PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xue RCSB], [http://www.ebi.ac.uk/pdbsum/4xue PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4xue ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/COMT_HUMAN COMT_HUMAN]] Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
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[https://www.uniprot.org/uniprot/COMT_HUMAN COMT_HUMAN] Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</div>
</div>
<div class="pdbe-citations 4xue" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 4xue" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Catechol O-methyltransferase 3D structures|Catechol O-methyltransferase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Catechol O-methyltransferase]]
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[[Category: Homo sapiens]]
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[[Category: Human]]
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[[Category: Large Structures]]
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[[Category: Allison, T]]
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[[Category: Allison T]]
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[[Category: Sanders, J M]]
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[[Category: Sanders JM]]
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[[Category: Soisson, S M]]
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[[Category: Soisson SM]]
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[[Category: Wolkenberg, S]]
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[[Category: Wolkenberg S]]
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[[Category: Catechol-o-methyltransferase]]
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[[Category: Comt]]
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[[Category: Transferase-transferase inhibitor complex]]
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Revision as of 17:53, 26 April 2023

Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b

PDB ID 4xue

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