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PDBsum entry 3u8w

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protein ligands links
Transferase/transferase inhibitor PDB id
3u8w
Jmol
Contents
Protein chain
349 a.a.
Ligands
09J
Waters ×65
PDB id:
3u8w
Name: Transferase/transferase inhibitor
Title: Crystal structure of p38a mitogen-activated protein kinase i with a triazolopyridazinone inhibitor
Structure: Mitogen-activated protein kinase 14. Chain: a. Synonym: map kinase 14, mapk 14, cytokine suppressive anti- inflammatory drug-binding protein, csaid-binding protein, c kinase mxi2, max-interacting protein 2, mitogen-activated p kinase p38 alpha, map kinase p38 alpha, sapk2a. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: mapk14, csbp, csbp1, csbp2, cspb1, mxi2. Expressed in: escherichia coli. Expression_system_taxid: 562
Resolution:
2.15Å     R-factor:   0.235     R-free:   0.255
Authors: C.Mohr,S.Jordan
Key ref: B.Herberich et al. (2012). Identification of triazolopyridazinones as potent p38α inhibitors. Bioorg Med Chem Lett, 22, 1226-1229. PubMed id: 22196117 DOI: 10.1016/j.bmcl.2011.11.067
Date:
17-Oct-11     Release date:   29-Aug-12    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q16539  (MK14_HUMAN) -  Mitogen-activated protein kinase 14
Seq:
Struc:
360 a.a.
349 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.2.7.11.24  - Mitogen-activated protein kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + a protein = ADP + a phosphoprotein
ATP
+ protein
= ADP
+ phosphoprotein
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     cell   8 terms 
  Biological process     intracellular signal transduction   71 terms 
  Biochemical function     nucleotide binding     11 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.bmcl.2011.11.067 Bioorg Med Chem Lett 22:1226-1229 (2012)
PubMed id: 22196117  
 
 
Identification of triazolopyridazinones as potent p38α inhibitors.
B.Herberich, C.Jackson, R.P.Wurz, L.H.Pettus, L.Sherman, Q.Liu, B.Henkle, C.J.Saris, L.M.Wong, S.Chmait, M.R.Lee, C.Mohr, F.Hsieh, A.S.Tasker.
 
  ABSTRACT  
 
No abstract given.