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PDBsum entry 3fv8

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protein ligands links
Transferase PDB id
3fv8
Jmol
Contents
Protein chain
334 a.a. *
Ligands
JK3
EDO ×5
Waters ×121
* Residue conservation analysis
PDB id:
3fv8
Name: Transferase
Title: Jnk3 bound to piperazine amide inhibitor, sr2774.
Structure: Mitogen-activated protein kinase 10. Chain: a. Synonym: stress-activated protein kinase jnk3, c-jun n- terminal kinase 3, map kinase p49 3f12. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: jnk3, jnk3a, mapk10, prkm10. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
2.28Å     R-factor:   0.204     R-free:   0.284
Authors: J.E.Habel
Key ref: Y.Shin et al. (2009). Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors. Bioorg Med Chem Lett, 19, 3344-3347. PubMed id: 19433357
Date:
15-Jan-09     Release date:   07-Apr-09    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P53779  (MK10_HUMAN) -  Mitogen-activated protein kinase 10
Seq:
Struc:
464 a.a.
334 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 8 residue positions (black crosses)

 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!
  Biological process     protein phosphorylation   1 term 
  Biochemical function     transferase activity, transferring phosphorus-containing groups     5 terms  

 

 
    reference    
 
 
Bioorg Med Chem Lett 19:3344-3347 (2009)
PubMed id: 19433357  
 
 
Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Y.Shin, W.Chen, J.Habel, D.Duckett, Y.Y.Ling, M.Koenig, Y.He, T.Vojkovsky, P.LoGrasso, T.M.Kamenecka.
 
  ABSTRACT  
 
A novel series of c-jun N-terminal kinase (JNK) inhibitors were designed and developed from a high-throughput-screening hit. Through the optimization of the piperazine amide 1, several potent compounds were discovered. The X-ray crystal structure of 4g showed a unique binding mode different from other well known JNK3 inhibitors.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21185177 R.Noël, Y.Shin, X.Song, Y.He, M.Koenig, W.Chen, Y.Y.Ling, L.Lin, C.H.Ruiz, P.LoGrasso, M.D.Cameron, D.R.Duckett, and T.M.Kamenecka (2011).
Synthesis and SAR of 4-(pyrazol-3-yl)-pyridines as novel c-jun N-terminal kinase inhibitors.
  Bioorg Med Chem Lett, 21, 2732-2735.  
21458276 S.K.De, E.Barile, V.Chen, J.L.Stebbins, J.F.Cellitti, T.Machleidt, C.B.Carlson, L.Yang, R.Dahl, and M.Pellecchia (2011).
Design, synthesis, and structure-activity relationship studies of thiophene-3-carboxamide derivatives as dual inhibitors of the c-Jun N-terminal kinase.
  Bioorg Med Chem, 19, 2582-2588.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.