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4xud

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<StructureSection load='4xud' size='340' side='right' caption='[[4xud]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
<StructureSection load='4xud' size='340' side='right' caption='[[4xud]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4xud]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4XUD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XUD FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4xud]] is a 1 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=4XUD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4XUD FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=43H:[1-(BIPHENYL-3-YL)-5-HYDROXY-4-OXO-1,4-DIHYDROPYRIDIN-3-YL]BORONIC+ACID'>43H</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SAM:S-ADENOSYLMETHIONINE'>SAM</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=43H:[1-(BIPHENYL-3-YL)-5-HYDROXY-4-OXO-1,4-DIHYDROPYRIDIN-3-YL]BORONIC+ACID'>43H</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SAM:S-ADENOSYLMETHIONINE'>SAM</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4xuc|4xuc]], [[4xue|4xue]]</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4xuc|4xuc]], [[4xue|4xue]]</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>
<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>
<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>
<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=4xud FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xud OCA], [http://pdbe.org/4xud PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xud RCSB], [http://www.ebi.ac.uk/pdbsum/4xud PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4xud ProSAT]</span></td></tr>
<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=4xud FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4xud OCA], [http://pdbe.org/4xud PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4xud RCSB], [http://www.ebi.ac.uk/pdbsum/4xud PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4xud ProSAT]</span></td></tr>
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</StructureSection>
</StructureSection>
[[Category: Catechol O-methyltransferase]]
[[Category: Catechol O-methyltransferase]]
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[[Category: Human]]
[[Category: Allison, T]]
[[Category: Allison, T]]
[[Category: Sanders, J M]]
[[Category: Sanders, J M]]
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[[Category: Catechol-o-methyltransferase]]
[[Category: Catechol-o-methyltransferase]]
[[Category: Comt]]
[[Category: Comt]]
 +
[[Category: Transferase-transferase inhibitor complex]]

Revision as of 09:37, 22 November 2017

Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd32 ([1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid)

4xud, resolution 2.40Å

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