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PDBsum entry 1oiq

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protein ligands links
Kinase PDB id
1oiq
Jmol
Contents
Protein chain
264 a.a. *
Ligands
HDU
Waters ×47
* Residue conservation analysis
PDB id:
1oiq
Name: Kinase
Title: Imidazopyridines: a potent and selective class of cyclin-dependent kinase inhibitors identified through structure-based hybridisation
Structure: Cell division protein kinase 2. Chain: a. Synonym: p33 protein kinase. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.
Resolution:
2.31Å     R-factor:   0.229     R-free:   0.271
Authors: J.F.Beattie,G.A.Breault,K.F.Byth,J.D.Culshaw,R.P.A.Ellston, S.Green,C.A.Minshull,R.A.Norman,R.A.Pauptit,A.P.Thomas, P.J.Jewsbury
Key ref: M.Anderson et al. (2003). Imidazo[1,2-a]pyridines: a potent and selective class of cyclin-dependent kinase inhibitors identified through structure-based hybridisation. Bioorg Med Chem Lett, 13, 3021-3026. PubMed id: 12941325 DOI: 10.1016/S0960-894X(03)00638-3
Date:
24-Jun-03     Release date:   04-Sep-03    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P24941  (CDK2_HUMAN) -  Cyclin-dependent kinase 2
Seq:
Struc:
298 a.a.
264 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/S0960-894X(03)00638-3 Bioorg Med Chem Lett 13:3021-3026 (2003)
PubMed id: 12941325  
 
 
Imidazo[1,2-a]pyridines: a potent and selective class of cyclin-dependent kinase inhibitors identified through structure-based hybridisation.
M.Anderson, J.F.Beattie, G.A.Breault, J.Breed, K.F.Byth, J.D.Culshaw, R.P.Ellston, S.Green, C.A.Minshull, R.A.Norman, R.A.Pauptit, J.Stanway, A.P.Thomas, P.J.Jewsbury.
 
  ABSTRACT  
 
High-throughput screening identified the imidazo[1,2-a]pyridine and bisanilinopyrimidine series as inhibitors of the cyclin-dependent kinase CDK4. Comparison of their experimentally-determined binding modes and emerging structure-activity trends led to the development of potent and selective imidazo[1,2-a]pyridine inhibitors for CDK4 and in particular CDK2.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21754778 S.Dahmani, Y.Kandri Rodi, S.V.Luis, e.l. .M.Essassi, and L.El Ammari (2011).
Ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carb-oxy-late.
  Acta Crystallogr Sect E Struct Rep Online, 67, o1390.  
20575139 K.Engels, C.Beyer, M.L.Suárez Fernández, F.Bender, M.Gassel, G.Unden, R.J.Marhöfer, J.C.Mottram, and P.M.Selzer (2010).
Inhibition of Eimeria tenella CDK-related kinase 2: From target identification to lead compounds.
  ChemMedChem, 5, 1259-1271.  
17131463 U.Lücking, G.Siemeister, M.Schäfer, H.Briem, M.Krüger, P.Lienau, and R.Jautelat (2007).
Macrocyclic Aminopyrimidines as Multitarget CDK and VEGF-R Inhibitors with Potent Antiproliferative Activities.
  ChemMedChem, 2, 63-77.
PDB code: 2j9m
16374623 A.T.García-Sosa, and R.L.Mancera (2006).
The effect of a tightly bound water molecule on scaffold diversity in the computer-aided de novo ligand design of CDK2 inhibitors.
  J Mol Model, 12, 422-431.  
16699182 D.E.Danley (2006).
Crystallization to obtain protein-ligand complexes for structure-aided drug design.
  Acta Crystallogr D Biol Crystallogr, 62, 569-575.  
17205374 G.A.Landrum, J.E.Penzotti, and S.Putta (2006).
Feature-map vectors: a new class of informative descriptors for computational drug discovery.
  J Comput Aided Mol Des, 20, 751-762.  
16584130 J.Sridhar, N.Akula, and N.Pattabiraman (2006).
Selectivity and potency of cyclin-dependent kinase inhibitors.
  AAPS J, 8, E204-E221.  
16006182 S.P.Williams, L.F.Kuyper, and K.H.Pearce (2005).
Recent applications of protein crystallography and structure-guided drug design.
  Curr Opin Chem Biol, 9, 371-380.  
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.  
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. Where a reference describes a PDB structure, the PDB code is shown on the right.