5sju

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Current revision (07:36, 17 October 2024) (edit) (undo)
 
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==Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide==
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==CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(nc(s1)NC(c2c(ncc(n2)C3CC3)Nc4cncnc4)=O)CN5CCCCC5, micromolar IC50=0.03208==
<StructureSection load='5sju' size='340' side='right'caption='[[5sju]], [[Resolution|resolution]] 1.97&Aring;' scene=''>
<StructureSection load='5sju' size='340' side='right'caption='[[5sju]], [[Resolution|resolution]] 1.97&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5sju]] is a 4 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=5SJU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5SJU FirstGlance]. <br>
<table><tr><td colspan='2'>[[5sju]] is a 4 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=5SJU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5SJU FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.97&#8491;</td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.97&#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=CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE'>CME</scene>, <scene name='pdbligand=K4U:6-cyclopropyl-N-{(4S)-4-[(piperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide'>K4U</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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE'>CME</scene>, <scene name='pdbligand=K4U:6-cyclopropyl-~{N}-[4-(piperidin-1-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide'>K4U</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5sju FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5sju OCA], [https://pdbe.org/5sju PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5sju RCSB], [https://www.ebi.ac.uk/pdbsum/5sju PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5sju ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5sju FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5sju OCA], [https://pdbe.org/5sju PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5sju RCSB], [https://www.ebi.ac.uk/pdbsum/5sju PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5sju ProSAT]</span></td></tr>
</table>
</table>

Current revision

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(nc(s1)NC(c2c(ncc(n2)C3CC3)Nc4cncnc4)=O)CN5CCCCC5, micromolar IC50=0.03208

PDB ID 5sju

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