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PDBsum entry 3oxi

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Transferase/transferase inhibitor PDB id
3oxi
Jmol
Contents
Protein chain
322 a.a.
Ligands
PRO-LYS-ARG-PRO-
THR-THR-LEU-ASN-
LEU-PHE
SYY
Waters ×84
PDB id:
3oxi
Name: Transferase/transferase inhibitor
Title: Design and synthesis of disubstituted thiophene and thiazole inhibitors of jnk for the treatment of neurodegenerative di
Structure: Mitogen-activated protein kinase 10. Chain: a. Fragment: unp residues 40 to 401. Synonym: map kinase 10, mapk 10, stress-activated protein k jnk3, c-jun n-terminal kinase 3, map kinase p49 3f12. Engineered: yes. Mitogen-activated protein kinase 8 interacting pr chain: j. Fragment: unp residues 158 to 167.
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: jnk3, jnk3a, mapk10, prkm10. Expressed in: escherichia coli. Expression_system_taxid: 562. Gene: mapk8ip1. Expression_system_taxid: 562
Resolution:
2.20Å     R-factor:   0.232     R-free:   0.275
Authors: R.K.Hom,S.Bowers,J.Sealy,A.Truong,G.D.Probst,M.Neitzel,J.Nei L.Fang,L.Brogley,J.Wu,A.W.Konradi,H.Sham,G.Toth,H.Pan,N.Yao D.R.Artis
Key ref: R.K.Hom et al. (2010). Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg Med Chem Lett, 20, 7303-7307. PubMed id: 21071223 DOI: 10.1016/j.bmcl.2010.10.066
Date:
21-Sep-10     Release date:   04-May-11    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P53779  (MK10_HUMAN) -  Mitogen-activated protein kinase 10
Seq:
Struc:
464 a.a.
322 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
Bound ligand (Het Group name = PRO)
matches with 50.00% similarity
= 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.2010.10.066 Bioorg Med Chem Lett 20:7303-7307 (2010)
PubMed id: 21071223  
 
 
Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK.
R.K.Hom, S.Bowers, J.M.Sealy, A.P.Truong, G.D.Probst, M.L.Neitzel, R.J.Neitz, L.Fang, L.Brogley, J.Wu, A.W.Konradi, H.L.Sham, G.Tóth, H.Pan, N.Yao, D.R.Artis, K.Quinn, J.M.Sauer, K.Powell, Z.Ren, F.Bard, T.A.Yednock, I.Griswold-Prenner.
 
  ABSTRACT  
 
No abstract given.

 

Literature references that cite this PDB file's key reference

  PubMed id Reference
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.  
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