7a4r: Difference between revisions

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-'''Unreleased structure'''
-The entry 7a4r is ON HOLD  until Paper Publication
+==Structure of DYRK1A in complex with compound 1==
+<StructureSection load='7a4r' size='340' side='right'caption='[[7a4r]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7A4R OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A4R 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]] 1.8&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene>, <scene name='pdbligand=QY8:2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one'>QY8</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</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=7a4r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a4r OCA], [https://pdbe.org/7a4r PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a4r RCSB], [https://www.ebi.ac.uk/pdbsum/7a4r PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a4r ProSAT]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The serine/threonine kinase DYRK1A has been implicated in regulation of a variety of cellular processes associated with cancer progression, including cell cycle control, DNA damage repair, protection from apoptosis, cell differentiation, and metastasis. In addition, elevated-level DYRK1A activity has been associated with increased severity of symptoms in Down's syndrome. A selective inhibitor of DYRK1A could therefore be of therapeutic benefit. We have used fragment and structure-based discovery methods to identify a highly selective, well-tolerated, brain-penetrant DYRK1A inhibitor which showed in vivo activity in a tumor model. The inhibitor provides a useful tool compound for further exploration of the effect of DYRK1A inhibition in models of disease.
-Authors: Dokurno, P., Surgenor, A.E., Hubbard, R.E.
+Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.,Lee Walmsley D, Murray JB, Dokurno P, Massey AJ, Benwell K, Fiumana A, Foloppe N, Ray S, Smith J, Surgenor AE, Edmonds T, Demarles D, Burbridge M, Cruzalegui F, Kotschy A, Hubbard RE J Med Chem. 2021 Jun 18. doi: 10.1021/acs.jmedchem.1c00024. PMID:34143631<ref>PMID:34143631</ref>
-Description: Structure of DYRK1A in complex with compound 1
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Hubbard, R.E]]
+<div class="pdbe-citations 7a4r" style="background-color:#fffaf0;"></div>
-[[Category: Surgenor, A.E]]
+== References ==
-[[Category: Dokurno, P]]
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Dokurno P]]
+[[Category: Hubbard RE]]
+[[Category: Surgenor AE]]