4k77
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==JAK1 kinase (JH1 domain) in complex with compound 6== | |
| + | <StructureSection load='4k77' size='340' side='right'caption='[[4k77]], [[Resolution|resolution]] 2.40Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4k77]] is a 2 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=4K77 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4K77 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]] 2.4Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1Q4:4-(CYCLOHEXYLAMINO)PYRIDO[3,4-D]PYRIMIDIN-8(7H)-ONE'>1Q4</scene>, <scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</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=4k77 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4k77 OCA], [https://pdbe.org/4k77 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4k77 RCSB], [https://www.ebi.ac.uk/pdbsum/4k77 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4k77 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/JAK1_HUMAN JAK1_HUMAN] Tyrosine kinase of the non-receptor type, involved in the IFN-alpha/beta/gamma signal pathway. Kinase partner for the interleukin (IL)-2 receptor. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | A highly ligand efficient, novel 8-oxo-pyridopyrimidine containing inhibitor of Jak1 and Jak2 isoforms with a pyridone moiety as the hinge-binding motif was discovered. Structure-based design strategies were applied to significantly improve enzyme potency and the polarity of the molecule was adjusted to gain cellular activity. The crystal structures of two representative inhibitors bound to Jak1 were obtained to enable SAR exploration. | ||
| - | + | Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.,Labadie S, Barrett K, Blair WS, Chang C, Deshmukh G, Eigenbrot C, Gibbons P, Johnson A, Kenny JR, Kohli PB, Liimatta M, Lupardus PJ, Shia S, Steffek M, Ubhayakar S, Abbema AV, Zak M Bioorg Med Chem Lett. 2013 Aug 27. pii: S0960-894X(13)01022-6. doi:, 10.1016/j.bmcl.2013.08.082. PMID:24042009<ref>PMID:24042009</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 4k77" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Janus kinase 3D structures|Janus kinase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Eigenbrot C]] | ||
| + | [[Category: Shia S]] | ||
Current revision
JAK1 kinase (JH1 domain) in complex with compound 6
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