3r2b: Difference between revisions

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[[Image:3r2b.png|left|200px]]
==MK2 kinase bound to Compound 5b==
<StructureSection load='3r2b' size='340' side='right' caption='[[3r2b]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3r2b]] is a 12 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=3R2B OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3R2B FirstGlance]. <br>
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=05B:2-[2-(1,3-BENZODIOXOL-5-YL)PYRIMIDIN-4-YL]-5,6-DIHYDROSPIRO[PIPERIDINE-4,7-PYRROLO[3,2-C]PYRIDIN]-4(1H)-ONE'>05B</scene><br>
<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3r1n|3r1n]], [[3r2y|3r2y]], [[3r30|3r30]]</td></tr>
<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">MAPKAPK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>
<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3r2b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r2b OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3r2b RCSB], [http://www.ebi.ac.uk/pdbsum/3r2b PDBsum]</span></td></tr>
<table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
MK2 kinase is a promising drug discovery target for the treatment of inflammatory diseases. Here, we describe the discovery of novel MK2 inhibitors using X-ray crystallography and structure-based drug design. The lead has in vivo efficacy in a short-term preclinical model.


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Structure-based lead identification of ATP-competitive MK2 inhibitors.,Barf T, Kaptein A, Wilde SD, Heijden RV, Someren RV, Demont D, Schultz-Fademrecht C, Versteegh J, Zeeland MV, Seegers N, Kazemier B, Kar BV, Hoek MV, Roos JD, Klop H, Smeets R, Hofstra C, Hornberg J, Oubrie A Bioorg Med Chem Lett. 2011 Apr 16. PMID:21565500<ref>PMID:21565500</ref>
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{{STRUCTURE_3r2b|  PDB=3r2b  |  SCENE=  }}


===MK2 kinase bound to Compound 5b===
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
 
</div>
 
== References ==
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{{ABSTRACT_PUBMED_21565500}}
 
==About this Structure==
[[3r2b]] is a 12 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=3R2B OCA].
 
==Reference==
<ref group="xtra">PMID:021565500</ref><references group="xtra"/>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Non-specific serine/threonine protein kinase]]
[[Category: Non-specific serine/threonine protein kinase]]

Revision as of 07:46, 5 June 2014

MK2 kinase bound to Compound 5bMK2 kinase bound to Compound 5b

Structural highlights

3r2b is a 12 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:
Related:3r1n, 3r2y, 3r30
Gene:MAPKAPK2 (Homo sapiens)
Activity:Non-specific serine/threonine protein kinase, with EC number 2.7.11.1
Resources:FirstGlance, OCA, RCSB, PDBsum

Publication Abstract from PubMed

MK2 kinase is a promising drug discovery target for the treatment of inflammatory diseases. Here, we describe the discovery of novel MK2 inhibitors using X-ray crystallography and structure-based drug design. The lead has in vivo efficacy in a short-term preclinical model.

Structure-based lead identification of ATP-competitive MK2 inhibitors.,Barf T, Kaptein A, Wilde SD, Heijden RV, Someren RV, Demont D, Schultz-Fademrecht C, Versteegh J, Zeeland MV, Seegers N, Kazemier B, Kar BV, Hoek MV, Roos JD, Klop H, Smeets R, Hofstra C, Hornberg J, Oubrie A Bioorg Med Chem Lett. 2011 Apr 16. PMID:21565500[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

  1. ↑ Barf T, Kaptein A, Wilde SD, Heijden RV, Someren RV, Demont D, Schultz-Fademrecht C, Versteegh J, Zeeland MV, Seegers N, Kazemier B, Kar BV, Hoek MV, Roos JD, Klop H, Smeets R, Hofstra C, Hornberg J, Oubrie A. Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg Med Chem Lett. 2011 Apr 16. PMID:21565500 doi:10.1016/j.bmcl.2011.04.018

3r2b, resolution 2.90Å

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