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PDBsum entry 2no3

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protein ligands Protein-protein interface(s) links
Signaling protein/inhibitor PDB id
2no3
Jmol
Contents
Protein chains
357 a.a. *
Ligands
PRO-LYS-ARG-PRO-
THR-THR-LEU-ASN-
LEU-PHE
×2
SO4 ×4
859 ×2
* Residue conservation analysis
PDB id:
2no3
Name: Signaling protein/inhibitor
Title: Novel 4-anilinopyrimidines as potent jnk1 inhibitors
Structure: Mitogen-activated protein kinase 8. Chain: a, b. Fragment: jnk1 residues 1-364. Synonym: stress-activated protein kinase jnk1, c-jun n- terminal kinase 1, jnk-46. Engineered: yes. Mutation: yes. C-jun-amino-terminal kinase-interacting protein 1.
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: mapk8, jnk1, prkm8. Expressed in: escherichia coli. Expression_system_taxid: 562. Synthetic: yes. Other_details: the sequence is found naturally in homo sapiens
Resolution:
3.20Å     R-factor:   0.233     R-free:   0.276
Authors: C.Abad-Zapatero
Key ref: M.Liu et al. (2007). Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies. Bioorg Med Chem Lett, 17, 668-672. PubMed id: 17107797 DOI: 10.1016/j.bmcl.2006.10.093
Date:
24-Oct-06     Release date:   17-Apr-07    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P45983  (MK08_HUMAN) -  Mitogen-activated protein kinase 8
Seq:
Struc:
427 a.a.
357 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 2 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    
 
 
DOI no: 10.1016/j.bmcl.2006.10.093 Bioorg Med Chem Lett 17:668-672 (2007)
PubMed id: 17107797  
 
 
Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies.
M.Liu, S.Wang, J.E.Clampit, R.J.Gum, D.L.Haasch, C.M.Rondinone, J.M.Trevillyan, C.Abad-Zapatero, E.H.Fry, H.L.Sham, G.Liu.
 
  ABSTRACT  
 
A new series of 4-anilinopyrimidines has been synthesized and evaluated as JNK1 inhibitors. SAR studies led to the discovery of potent JNK1 inhibitors with good enzymatic activity as well as cellular potency represented by compound 2b. Kinase selectivity profile and the crystal structure of 2b are also described.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
20969960 L.Min, B.He, and L.Hui (2011).
Mitogen-activated protein kinases in hepatocellular carcinoma development.
  Semin Cancer Biol, 21, 10-20.  
19433357 Y.Shin, W.Chen, J.Habel, D.Duckett, Y.Y.Ling, M.Koenig, Y.He, T.Vojkovsky, P.LoGrasso, and T.M.Kamenecka (2009).
Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
  Bioorg Med Chem Lett, 19, 3344-3347.
PDB code: 3fv8
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. Where a reference describes a PDB structure, the PDB code is shown on the right.