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PDBsum entry 2b52

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protein ligands links
Transferase PDB id
2b52
Jmol
Contents
Protein chain
283 a.a. *
Ligands
D42
Waters ×60
* Residue conservation analysis
PDB id:
2b52
Name: Transferase
Title: Human cyclin dependent kinase 2 (cdk2) complexed with dph- 042562
Structure: Cell division protein kinase 2. Chain: a. Synonym: p33 protein kinase, cdk2. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: cdk2. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108. Expression_system_cell_line: sf9.
Resolution:
1.88Å     R-factor:   0.219     R-free:   0.275
Authors: J.Muckelbauer
Key ref: E.W.Yue et al. (2004). Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. Part 4: Heterocycles at C3. Bioorg Med Chem Lett, 14, 343-346. PubMed id: 14698155 DOI: 10.1016/j.bmcl.2003.11.008
Date:
27-Sep-05     Release date:   11-Oct-05    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P24941  (CDK2_HUMAN) -  Cyclin-dependent kinase 2
Seq:
Struc:
298 a.a.
283 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    
 
 
DOI no: 10.1016/j.bmcl.2003.11.008 Bioorg Med Chem Lett 14:343-346 (2004)
PubMed id: 14698155  
 
 
Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. Part 4: Heterocycles at C3.
E.W.Yue, S.V.DiMeo, C.A.Higley, J.A.Markwalder, C.R.Burton, P.A.Benfield, R.H.Grafstrom, S.Cox, J.K.Muckelbauer, A.M.Smallwood, H.Chen, C.H.Chang, G.L.Trainor, S.P.Seitz.
 
  ABSTRACT  
 
New indeno[1,2-c]pyrazol-4-one cyclin dependent kinase inhibitors have been disclosed. The most promising compounds are nanomolar enzyme inhibitors with excellent activity against tumor cells. The most advanced compound retains cell culture activity even in the presence of human serum proteins. The most advanced compound did not kill the normal fibroblast line AG1523.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
15505811 H.Park, M.S.Yeom, and S.Lee (2004).
Loop flexibility and solvent dynamics as determinants for the selective inhibition of cyclin-dependent kinase 4: comparative molecular dynamics simulation studies of CDK2 and CDK4.
  Chembiochem, 5, 1662-1672.  
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