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PDBsum entry 2gtm

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protein ligands links
Transferase PDB id
2gtm
Jmol
Contents
Protein chain
341 a.a. *
Ligands
LID
Waters ×170
* Residue conservation analysis
PDB id:
2gtm
Name: Transferase
Title: Mutated mouse p38 map kinase domain in complex with inhibitor pg-892579
Structure: Mitogen-activated protein kinase 14. Chain: a. Synonym: mitogen-activated protein kinase p38 alpha, map kinase p38 alpha, crk1. Engineered: yes
Source: Mus musculus. House mouse. Organism_taxid: 10090. Gene: mapk14. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.
Resolution:
1.90Å     R-factor:   0.214     R-free:   0.261
Authors: R.L.Walter,M.J.Mekel,A.G.Evdokimov,M.E.Pokross,M.Sabat
Key ref: M.Sabat et al. (2006). The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg Med Chem Lett, 16, 4360-4365. PubMed id: 16750367 DOI: 10.1016/j.bmcl.2006.05.050
Date:
28-Apr-06     Release date:   23-May-06    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P47811  (MK14_MOUSE) -  Mitogen-activated protein kinase 14
Seq:
Struc:
360 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     cell   7 terms 
  Biological process     intracellular signal transduction   40 terms 
  Biochemical function     nucleotide binding     10 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.bmcl.2006.05.050 Bioorg Med Chem Lett 16:4360-4365 (2006)
PubMed id: 16750367  
 
 
The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.
M.Sabat, J.C.Vanrens, M.P.Clark, T.A.Brugel, J.Maier, R.G.Bookland, M.J.Laufersweiler, S.K.Laughlin, A.Golebiowski, B.De, L.C.Hsieh, R.L.Walter, M.J.Mekel, M.J.Janusz.
 
  ABSTRACT  
 
A series of C-2, C-8, and N-9 trisubstituted purine based inhibitors of TNF-alpha production are described. The most potent analogs showed low nanomolar activity against LPS-induced TNF-alpha production in a THP-1 cell based assay. The SAR of the series was optimized with the aid of X-ray co-crystal structures of these inhibitors bound with mutated p38 (mp38).