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PDBsum entry 1yqj

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protein ligands links
Transferase PDB id
1yqj
Jmol
Contents
Protein chain
356 a.a. *
Ligands
SO4
6NP
Waters ×149
* Residue conservation analysis
PDB id:
1yqj
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
Resolution:
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
Date:
01-Feb-05     Release date:   26-Apr-05    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q16539  (MK14_HUMAN) -  Mitogen-activated protein kinase 14
Seq:
Struc:
360 a.a.
356 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.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.
 
  ABSTRACT  
 
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.  
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.