spacer
spacer

PDBsum entry 2g01

Go to PDB code: 
protein ligands Protein-protein interface(s) links
Transferase PDB id
2g01
Jmol
Contents
Protein chains
356 a.a. *
Ligands
PRO-LYS-ARG-PRO-
THR-THR-LEU-ASN-
LEU-PHE
×2
SO4 ×4
73Q ×2
* Residue conservation analysis
PDB id:
2g01
Name: Transferase
Title: Pyrazoloquinolones as novel, selective jnk1 inhibitors
Structure: Mitogen-activated protein kinase 8. Chain: a, b. Fragment: jnk1-(1-364)-6his. 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 (human).
Biol. unit: Dimer (from PQS)
Resolution:
3.50Å     R-factor:   0.286     R-free:   0.354
Authors: C.Abad-Zapatero
Key ref: M.Liu et al. (2006). Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors. Bioorg Med Chem Lett, 16, 2590-2594. PubMed id: 16527482 DOI: 10.1016/j.bmcl.2006.02.046
Date:
10-Feb-06     Release date:   18-Apr-06    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P45983  (MK08_HUMAN) -  Mitogen-activated protein kinase 8
Seq:
Struc:
427 a.a.
356 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 3 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.2006.02.046 Bioorg Med Chem Lett 16:2590-2594 (2006)
PubMed id: 16527482  
 
 
Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors.
M.Liu, Z.Xin, J.E.Clampit, S.Wang, R.J.Gum, D.L.Haasch, J.M.Trevillyan, C.Abad-Zapatero, E.H.Fry, H.L.Sham, G.Liu.
 
  ABSTRACT  
 
A novel class of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as c-Jun-N-terminal kinase (JNK) inhibitors is described. These compounds were synthesized via the condensation of 2-nitrobenzaldehydes and hydroxypyrazoles. The structure-activity relationships (SAR) and kinase selectivity profile of the inhibitors are also discussed. Compound 16 was identified as a potent JNK inhibitor with good cellular potency.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
17460211 T.Davis, F.S.Wyllie, M.J.Rokicki, M.C.Bagley, and D.Kipling (2007).
The role of cellular senescence in Werner syndrome: toward therapeutic intervention in human premature aging.
  Ann N Y Acad Sci, 1100, 455-469.  
17158707 M.A.Bogoyevitch, and B.Kobe (2006).
Uses for JNK: the many and varied substrates of the c-Jun N-terminal kinases.
  Microbiol Mol Biol Rev, 70, 1061-1095.  
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.