5nqe: Difference between revisions
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==Human PARP14 (ARTD8), catalytic fragment in complex with an N-aryl piperazine inhibitor== | |||
<StructureSection load='5nqe' size='340' side='right' caption='[[5nqe]], [[Resolution|resolution]] 2.71Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5nqe]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NQE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5NQE FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=94Z:3-[[4-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-4-OXIDANYLIDENE-BUTANOYL]AMINO]BENZAMIDE'>94Z</scene></td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] </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=5nqe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nqe OCA], [http://pdbe.org/5nqe PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5nqe RCSB], [http://www.ebi.ac.uk/pdbsum/5nqe PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5nqe ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[[http://www.uniprot.org/uniprot/PAR14_HUMAN PAR14_HUMAN]] Enhances STAT6-dependent transcription (By similarity). Has ADP-ribosyltransferase activity. | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
A series of (Z)-4-(3-carbamoylphenylamino)-4-oxobut-2-enyl amides were synthesized and tested for their ability to inhibit the mono-(ADP-ribosyl)transferase, PARP14 (a.k.a. BAL-2; ARTD-8). Two synthetic routes were established for this series and several compounds were identified as sub-micromolar inhibitors of PARP14, the most potent of which was compound 4t, IC50=160nM. Furthermore, profiling other members of this series identified compounds with >20-fold selectivity over PARP5a/TNKS1, and modest selectivity over PARP10, a closely related mono-(ADP-ribosyl)transferase. | |||
Design and synthesis of potent inhibitors of the mono(ADP-ribosyl)transferase, PARP14.,Upton K, Meyers M, Thorsell AG, Karlberg T, Holechek J, Lease R, Schey G, Wolf E, Lucente A, Schuler H, Ferraris D Bioorg Med Chem Lett. 2017 Apr 29. pii: S0960-894X(17)30473-0. doi:, 10.1016/j.bmcl.2017.04.089. PMID:28495083<ref>PMID:28495083</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
[[Category: | <div class="pdbe-citations 5nqe" style="background-color:#fffaf0;"></div> | ||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Karlberg, T]] | |||
[[Category: Schuler, H]] | [[Category: Schuler, H]] | ||
[[Category: | [[Category: Thorsell, A G]] | ||
[[Category: Adp-ribosylation]] | |||
[[Category: Inhibitor complex]] | |||
[[Category: Transferase]] | |||
[[Category: Transferase domain]] | |||
Revision as of 13:37, 24 May 2017
Human PARP14 (ARTD8), catalytic fragment in complex with an N-aryl piperazine inhibitor
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