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PDBsum entry 3tti

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protein ligands links
Transferase/transferase inhibitor PDB id
3tti
Jmol
Contents
Protein chain
341 a.a.
Ligands
KBI
GOL
Waters ×228
PDB id:
3tti
Name: Transferase/transferase inhibitor
Title: Crystal structure of jnk3 complexed with cc-930, an orally a anti-fibrotic jnk inhibitor
Structure: Mitogen-activated protein kinase 10. Chain: a. Synonym: map kinase 10, mapk 10, map kinase p49 3f12, stres activated protein kinase jnk3, c-jun n-terminal kinase 3. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: jnk3, jnk3a, mapk10, prkm10. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
2.20Å     R-factor:   0.246     R-free:   0.335
Authors: V.Plantevin-Krenitsky,L.Nadolny,M.Delgado,L.Ayala,S.Clareen, R.Hilgraf,R.Albers,S.Hegde,N.D'Sidocky,J.Sapienza,J.Wright, M.Mccarrick,S.Bahmanyar,P.Chamberlain,S.L.Delker,J.Muir,D.G L.Xu,M.Celeridad,J.Lachowitzer,B.Bennett,M.Moghaddam,O.Khat J.Katz,R.Fan,A.Bai,Y.Tang,M.A.Shirley,B.Benish,T.Bodine,K.B H.Raymon,B.E.Cathers,Y.Satoh
Key ref: V.Plantevin Krenitsky et al. (2012). Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg Med Chem Lett, 22, 1433-1438. PubMed id: 22244937
Date:
14-Sep-11     Release date:   01-Feb-12    
PROCHECK
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 Headers
 References

Protein chain
Pfam   ArchSchema ?
P53779  (MK10_HUMAN) -  Mitogen-activated protein kinase 10
Seq:
Struc:
464 a.a.
341 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     membrane   7 terms 
  Biological process     TRIF-dependent toll-like receptor signaling pathway   22 terms 
  Biochemical function     nucleotide binding     11 terms  

 

 
    reference    
 
 
Bioorg Med Chem Lett 22:1433-1438 (2012)
PubMed id: 22244937  
 
 
Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.
V.Plantevin Krenitsky, L.Nadolny, M.Delgado, L.Ayala, S.S.Clareen, R.Hilgraf, R.Albers, S.Hegde, N.D'Sidocky, J.Sapienza, J.Wright, M.McCarrick, S.Bahmanyar, P.Chamberlain, S.L.Delker, J.Muir, D.Giegel, L.Xu, M.Celeridad, J.Lachowitzer, B.Bennett, M.Moghaddam, O.Khatsenko, J.Katz, R.Fan, A.Bai, Y.Tang, M.A.Shirley, B.Benish, T.Bodine, K.Blease, H.Raymon, B.E.Cathers, Y.Satoh.
 
  ABSTRACT  
 
No abstract given.