6vkg: Difference between revisions
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==Human carbonic anhydrase IX mimic with Epacadostat bound== | |||
<StructureSection load='6vkg' size='340' side='right'caption='[[6vkg]], [[Resolution|resolution]] 1.37Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[6vkg]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VKG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6VKG FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BBJ:N-(3-bromo-4-fluorophenyl)-N-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide'>BBJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </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=6vkg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vkg OCA], [http://pdbe.org/6vkg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vkg RCSB], [http://www.ebi.ac.uk/pdbsum/6vkg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vkg ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Epacadostat (EPA), a new and promising anti-cancer small molecule is firmly established as selective inhibitor of the enzyme indoleamine 2,3-dioxygenase 1 (IDO1). The X-Ray structure of the human CA IX mimic in complex with EPA is investigated here for the first time and compared to previously reported EPA-CA II adduct. The structural information obtained are all in agreement with the in vitro kinetic data which accounted for a selective inhibition of the CA IX over the CA II isoform. | |||
X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX.,Angeli A, Peat TS, Selleri S, Saleh Alfawaz Altamimi A, Supuran CT, Carta F Bioorg Chem. 2020 Feb 14;97:103669. doi: 10.1016/j.bioorg.2020.103669. PMID:32088421<ref>PMID:32088421</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
[[Category: | <div class="pdbe-citations 6vkg" style="background-color:#fffaf0;"></div> | ||
[[Category: | == References == | ||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Carbonate dehydratase]] | |||
[[Category: Large Structures]] | |||
[[Category: Carta, F]] | [[Category: Carta, F]] | ||
[[Category: Peat, T S]] | |||
[[Category: Supuran, C T]] | |||
[[Category: Epacadostat]] | |||
[[Category: Human carbonic anhydrase ix mimic]] | |||
[[Category: Lyase-lyase inhibitor complex]] | |||
[[Category: Metal binding protein]] | |||
[[Category: Metalloenzyme]] | |||
Revision as of 06:58, 4 March 2020
Human carbonic anhydrase IX mimic with Epacadostat bound
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