4k6z
From Proteopedia
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| - | {{STRUCTURE_4k6z| PDB=4k6z | SCENE= }} | ||
| - | ===The Jak1 kinase domain in complex with compound 37=== | ||
| - | {{ABSTRACT_PUBMED_24042009}} | ||
| - | == | + | ==The Jak1 kinase domain in complex with compound 37== |
| - | [[http://www.uniprot.org/uniprot/JAK1_HUMAN JAK1_HUMAN | + | <StructureSection load='4k6z' size='340' side='right'caption='[[4k6z]], [[Resolution|resolution]] 2.73Å' scene=''> |
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4k6z]] is a 1 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=4K6Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4K6Z 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]] 2.73Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1Q3:(1R,2S)-2-{[8-OXO-2-(1H-PYRAZOL-4-YL)-5,8-DIHYDROPYRIDO[3,4-D]PYRIMIDIN-4-YL]AMINO}CYCLOPENTANECARBONITRILE'>1Q3</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=4k6z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4k6z OCA], [https://pdbe.org/4k6z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4k6z RCSB], [https://www.ebi.ac.uk/pdbsum/4k6z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4k6z 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 4k6z" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Janus kinase 3D structures|Janus kinase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: | + | [[Category: Large Structures]] |
| - | [[Category: Fong | + | [[Category: Fong R]] |
| - | [[Category: Lupardus | + | [[Category: Lupardus PJ]] |
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| - | + | ||
Current revision
The Jak1 kinase domain in complex with compound 37
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