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4b99
From Proteopedia
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| - | + | ==Crystal Structure of MAPK7 (ERK5) with inhibitor== | |
| - | + | <StructureSection load='4b99' size='340' side='right' caption='[[4b99]], [[Resolution|resolution]] 2.80Å' scene=''> | |
| - | + | == Structural highlights == | |
| + | <table><tr><td colspan='2'>[[4b99]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4B99 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4B99 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=R4L:11-CYCLOPENTYL-2-[[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]CARBONYL-PHENYL]AMINO]-5-METHYL-PYRIMIDO[4,5-B][1,4]BENZODIAZEPIN-6-ONE'>R4L</scene></td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Mitogen-activated_protein_kinase Mitogen-activated protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.24 2.7.11.24] </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=4b99 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4b99 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4b99 RCSB], [http://www.ebi.ac.uk/pdbsum/4b99 PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The protein kinase ERK5 (MAPK7) is an emerging drug target for a variety of indications, in particular for cancer where it plays a key role mediating cell proliferation, survival, epithelial-mesenchymal transition, and angiogenesis. To date, no three-dimensional structure has been published that would allow rational design of inhibitors. To address this, we determined the X-ray crystal structure of the human ERK5 kinase domain in complex with a highly specific benzo[e]pyrimido[5,4-b]diazepine-6(11H)-one inhibitor. The structure reveals that specific residue differences in the ATP-binding site, compared to the related ERKs p38s and JNKs, allow for the development of ERK5-specific inhibitors. The selectivity of previously observed ERK5 inhibitors can also be rationalized using this structure, which provides a template for future development of inhibitors with potential for treatment of disease. | ||
| - | + | X-ray Crystal Structure of ERK5 (MAPK7) in Complex with a Specific Inhibitor.,Elkins JM, Wang J, Deng X, Pattison MJ, Arthur JS, Erazo T, Gomez N, Lizcano JM, Gray NS, Knapp S J Med Chem. 2013 Jun 13;56(11):4413-21. doi: 10.1021/jm4000837. Epub 2013 May 17. PMID:23656407<ref>PMID:23656407</ref> | |
| - | + | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | == | + | ==See Also== |
| - | + | *[[Mitogen-activated protein kinase|Mitogen-activated protein kinase]] | |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Mitogen-activated protein kinase]] | [[Category: Mitogen-activated protein kinase]] | ||
| - | [[Category: Arrowsmith, C | + | [[Category: Arrowsmith, C]] |
| - | [[Category: Bountra, C | + | [[Category: Bountra, C]] |
| - | [[Category: Delft, F Von | + | [[Category: Delft, F Von]] |
| - | [[Category: Deng, X | + | [[Category: Deng, X]] |
| - | [[Category: Edwards, A | + | [[Category: Edwards, A]] |
| - | [[Category: Elkins, J M | + | [[Category: Elkins, J M]] |
| - | [[Category: Gray, N S | + | [[Category: Gray, N S]] |
| - | [[Category: Knapp, S | + | [[Category: Knapp, S]] |
| - | [[Category: Mahajan, P | + | [[Category: Mahajan, P]] |
| - | [[Category: Pike, A C.W | + | [[Category: Pike, A C.W]] |
| - | [[Category: Savitsky, P | + | [[Category: Savitsky, P]] |
| - | [[Category: Vollmar, M | + | [[Category: Vollmar, M]] |
| - | [[Category: Wang, J | + | [[Category: Wang, J]] |
[[Category: Inhibitor]] | [[Category: Inhibitor]] | ||
[[Category: Transferase]] | [[Category: Transferase]] | ||
Revision as of 10:09, 21 December 2014
Crystal Structure of MAPK7 (ERK5) with inhibitor
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