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Ligands
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05B 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-C]pyridin]-4'(1'H)-one
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Code : 3R1N   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : MK3 kinase bound to Compound 5b
Release Data : 2011-05-25
Compound :
mol_id molecule chains synonym
1 MAP kinase-activated protein kinase 3 A MAPK-activated protein kinase 3, MAPKAP kinase 3, MAPKAPK-3, Chromosome 3p kinase, 3pK
ec: 2.7.11.1
fragment: Kinase domain (UNP residues 33-349)
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: MAPKAPK3
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pTrilJ-POPIN
Authors : Oubrie, A., Kazemier, B.
Keywords : Kinase domain with bound inhibitor, Kinase domain, phosphotransferase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.09 Å )
Citation :

Structure-based lead identification of ATP-competitive MK2 inhibitors.

Barf, T.,Kaptein, A.,Wilde, S.  et al.
(2011)  Bioorg.Med.Chem.Lett.  21 : 3818 - 3822

PubMed: 21565500
DOI: 10.1016/j.bmcl.2011.04.018

Chain : A
UniProt : Q16644 (MAPK3_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 PubMed:8774846
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ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 PubMed:8774846
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