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PDBsum entry 2r64

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protein ligands links
Transferase PDB id
2r64
Jmol
Contents
Protein chain
279 a.a. *
Ligands
740
Waters ×70
* Residue conservation analysis
PDB id:
2r64
Name: Transferase
Title: Crystal structure of a 3-aminoindazole compound with cdk2
Structure: Cell division protein kinase 2. Chain: a. Synonym: p33 protein kinase. Engineered: yes
Source: Homo sapiens. Organism_taxid: 9606. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
Resolution:
2.30Å     R-factor:   0.221     R-free:   0.257
Authors: J.Lee,H.Choi,K.H.Kim,S.Jeong,J.W.Park,C.S.Baek,S.H.Lee
Key ref: J.Lee et al. (2008). Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors. Bioorg Med Chem Lett, 18, 2292-2295. PubMed id: 18353638 DOI: 10.1016/j.bmcl.2008.03.002
Date:
05-Sep-07     Release date:   09-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.
279 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   14 terms 
  Biological process     regulation of gene silencing   27 terms 
  Biochemical function     nucleotide binding     12 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.bmcl.2008.03.002 Bioorg Med Chem Lett 18:2292-2295 (2008)
PubMed id: 18353638  
 
 
Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors.
J.Lee, H.Choi, K.H.Kim, S.Jeong, J.W.Park, C.S.Baek, S.H.Lee.
 
  ABSTRACT  
 
A novel series of 3,5-diaminoindazoles were prepared and found to be CDK inhibitors. Potent inhibitors against CDK1 and CDK2 were obtained by introduction of 1lambda(6)-isothiazolidine-1,1-dioxide at 5-position of indazole. Anti-proliferative activities of compounds were evaluated using EJ, HCT116, SW620, and A549 cancer cell lines.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
20000789 J.Kocí, A.G.Oliver, and V.Krchnák (2010).
Unprecedented rearrangement of 2-(2-aminoethyl)-1-aryl-3,4-dihydropyrazino[1,2-b]indazole-2-ium 6-oxides to 2,3-dihydro-1H-imidazo[1,2-b]indazoles.
  J Org Chem, 75, 502-505.  
18937414 I.Bouillon, J.Zajícek, N.Pudelová, and V.Krchnák (2008).
Remarkably efficient synthesis of 2H-indazole 1-oxides and 2H-indazoles via tandem carbon-carbon followed by nitrogen-nitrogen bond formation.
  J Org Chem, 73, 9027-9032.  
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.