PDBsum entry 1yqj

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Transferase PDB id
Protein chain
356 a.a. *
Waters ×149
* Residue conservation analysis
PDB id:
Name: Transferase
Title: Crystal structure of p38 alpha in complex with a selective pyridazine inhibitor
Structure: Mitogen-activated protein kinase 14. Chain: a. Synonym: mitogen-activated protein kinase p38alpha, map kinase p38alpha, 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, mxi2. Expressed in: escherichia coli. Expression_system_taxid: 562
2.00Å     R-factor:   0.205     R-free:   0.257
Authors: N.Tamayo,H.Liao,M.Goldberg,R.Syed,V.Li,D.Powers,Y.Tudor, V.Yu,M.L.Wong,B.Henkle,S.Middelton,T.Harvey,G.Jang, R.Hungate,C.Dominguez
Key ref: N.Tamayo et al. (2005). Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase. Bioorg Med Chem Lett, 15, 2409-2413. PubMed id: 15837335 DOI: 10.1016/j.bmcl.2005.02.010
01-Feb-05     Release date:   26-Apr-05    
Go to PROCHECK summary

Protein chain
Pfam   ArchSchema ?
Q16539  (MK14_HUMAN) -  Mitogen-activated protein kinase 14
360 a.a.
356 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.  - Mitogen-activated protein kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + a protein = ADP + a phosphoprotein
+ protein
+ 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  


DOI no: 10.1016/j.bmcl.2005.02.010 Bioorg Med Chem Lett 15:2409-2413 (2005)
PubMed id: 15837335  
Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase.
N.Tamayo, L.Liao, M.Goldberg, D.Powers, Y.Y.Tudor, V.Yu, L.M.Wong, B.Henkle, S.Middleton, R.Syed, T.Harvey, G.Jang, R.Hungate, C.Dominguez.
Novel potent trisubstituted pyridazine inhibitors of p38 MAP (mitogen activated protein) kinase are described that have activity in both cell-based assays of cytokine release and animal models of rheumatoid arthritis. They demonstrated potent inhibition of LPS-induced TNF-alpha production in mice and exhibited good efficacy in the rat collagen induced arthritis model.

Literature references that cite this PDB file's key reference

  PubMed id Reference
19543800 H.Sheibani, M.A.Amrollahi, and Z.Esfandiarpoor (2010).
A convenient one-pot synthesis of 3-amino-2, 5-dihydropyridazine and pyrimidine derivatives in the presence of high surface area MgO as a highly effective heterogeneous base catalyst.
  Mol Divers, 14, 277-283.  
20160879 R.S.Armen, J.Chen, and C.L.Brooks (2009).
An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular Dynamics.
  J Chem Theory Comput, 5, 2909-2923.  
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