spacer
spacer

PDBsum entry 3bv2

Go to PDB code: 
protein ligands links
Transferase PDB id
3bv2
Jmol
Contents
Protein chain
337 a.a. *
Ligands
P38
Waters ×97
* Residue conservation analysis
PDB id:
3bv2
Name: Transferase
Title: Morpholino pyrrolotriazine p38 alpha map kinase inhibitor compound 30
Structure: Mitogen-activated protein kinase 14. Chain: a. Synonym: mitogen-activated protein kinase p38 alpha, map kinase p38 alpha, cytokine suppressive anti-inflammatory drug-binding protein, csaid-binding protein, csbp, max- interacting protein 2, map kinase mxi2, sapk2a. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: mapk14, csbp, csbp1, csbp2, cspb1, mxi2. Expressed in: escherichia coli. Expression_system_taxid: 562. Expression_system_cell_line: bl21 de3.
Resolution:
2.40Å     R-factor:   0.209     R-free:   0.263
Authors: J.S.Sack
Key ref: S.T.Wrobleski et al. (2008). Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors. Bioorg Med Chem Lett, 18, 2739-2744. PubMed id: 18364256 DOI: 10.1016/j.bmcl.2008.02.067
Date:
04-Jan-08     Release date:   08-Apr-08    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q16539  (MK14_HUMAN) -  Mitogen-activated protein kinase 14
Seq:
Struc:
360 a.a.
337 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   8 terms 
  Biological process     intracellular signal transduction   71 terms 
  Biochemical function     nucleotide binding     11 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.bmcl.2008.02.067 Bioorg Med Chem Lett 18:2739-2744 (2008)
PubMed id: 18364256  
 
 
Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
S.T.Wrobleski, S.Lin, J.Hynes, H.Wu, S.Pitt, D.R.Shen, R.Zhang, K.M.Gillooly, D.J.Shuster, K.W.McIntyre, A.M.Doweyko, K.F.Kish, J.A.Tredup, G.J.Duke, J.S.Sack, M.McKinnon, J.Dodd, J.C.Barrish, G.L.Schieven, K.Leftheris.
 
  ABSTRACT  
 
A novel series of compounds based on the pyrrolo[2,1-f][1,2,4]triazine ring system have been identified as potent p38 alpha MAP kinase inhibitors. The synthesis, structure-activity relationships (SAR), and in vivo activity of selected analogs from this class of inhibitors are reported. Additional studies based on X-ray co-crystallography have revealed that one of the potent inhibitors from this series binds to the DFG-out conformation of the p38 alpha enzyme.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
18566506 J.S.Sack, K.F.Kish, M.Pokross, D.Xie, G.J.Duke, J.A.Tredup, S.E.Kiefer, and J.A.Newitt (2008).
Structural basis for the high-affinity binding of pyrrolotriazine inhibitors of p38 MAP kinase.
  Acta Crystallogr D Biol Crystallogr, 64, 705-710.  
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.