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PDBsum entry 2w06

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protein ligands links
Transferase PDB id
2w06
Jmol
Contents
Protein chain
283 a.a. *
Ligands
FRV
Waters ×140
* Residue conservation analysis
PDB id:
2w06
Name: Transferase
Title: Structure of cdk2 in complex with an imidazolyl pyrimidine, compound 5c
Structure: Cell division protein kinase 2. Chain: a. Synonym: p33 protein kinase, cdk2. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108. Expression_system_cell_line: sf21.
Resolution:
2.04Å     R-factor:   0.205     R-free:   0.233
Authors: M.Anderson,D.M.Andrews,A.J.Barker,C.A.Brassington,K.F.Byth, J.D.Culshaw,M.R.V.Finlay,E.Fisher,H.H.J.Mcmiken,C.P.Green, D.W.Heaton,I.A.Nash,N.J.Newcombe,S.E.Oakes,A.Roberts, J.J.Stanway,A.P.Thomas,J.A.Tucker,H.M.Weir
Key ref: M.Anderson et al. (2008). Imidazoles: SAR and development of a potent class of cyclin-dependent kinase inhibitors. Bioorg Med Chem Lett, 18, 5487-5492. PubMed id: 18815031
Date:
08-Aug-08     Release date:   23-Sep-08    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P24941  (CDK2_HUMAN) -  Cyclin-dependent kinase 2
Seq:
Struc:
298 a.a.
282 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.2.7.11.22  - Cyclin-dependent 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     cyclin-dependent protein kinase holoenzyme complex   15 terms 
  Biological process     regulation of gene silencing   27 terms 
  Biochemical function     nucleotide binding     12 terms  

 

 
    reference    
 
 
Bioorg Med Chem Lett 18:5487-5492 (2008)
PubMed id: 18815031  
 
 
Imidazoles: SAR and development of a potent class of cyclin-dependent kinase inhibitors.
M.Anderson, D.M.Andrews, A.J.Barker, C.A.Brassington, J.Breed, K.F.Byth, J.D.Culshaw, M.R.Finlay, E.Fisher, H.H.McMiken, C.P.Green, D.W.Heaton, I.A.Nash, N.J.Newcombe, S.E.Oakes, R.A.Pauptit, A.Roberts, J.J.Stanway, A.P.Thomas, J.A.Tucker, M.Walker, H.M.Weir.
 
  ABSTRACT  
 
An imidazole series of cyclin-dependent kinase (CDK) inhibitors has been developed. Protein inhibitor structure determination has provided an understanding of the emerging structure activity trends for the imidazole series. The introduction of a methyl sulfone at the aniline terminus led to a more orally bioavailable CDK inhibitor that was progressed into clinical development.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
20013135 B.Zhang, Z.C.Su, T.E.Tay, and V.B.Tan (2010).
Mechanism of CDK5 activation revealed by steered molecular dynamics simulations and energy calculations.
  J Mol Model, 16, 1159-1168.  
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.