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PDBsum entry 2bhe

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Transferase PDB id
2bhe
Jmol
Contents
Protein chain
274 a.a. *
Ligands
BRY
Waters ×67
* Residue conservation analysis
PDB id:
2bhe
Name: Transferase
Title: Human cyclin dependent protein kinase 2 in complex with the inhibitor 5-bromo-indirubine
Structure: Cell division protein kinase 2. Chain: a. Synonym: cyclin dependent kinase 2, p33 protein kinase. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: insect cells
Resolution:
1.9Å     R-factor:   0.245     R-free:   0.321
Authors: M.Schaefer,R.Jautelat,T.Brumby,H.Briem,G.Eisenbrand, S.Schwahn,M.Krueger,U.Luecking,O.Prien,G.Siemeister
Key ref: R.Jautelat et al. (2005). From the insoluble dye indirubin towards highly active, soluble CDK2-inhibitors. Chembiochem, 6, 531-540. PubMed id: 15742375 DOI: 10.1002/cbic.200400108
Date:
10-Jan-05     Release date:   09-Mar-05    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P24941  (CDK2_HUMAN) -  Cyclin-dependent kinase 2
Seq:
Struc:
298 a.a.
274 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: 10.1002/cbic.200400108 Chembiochem 6:531-540 (2005)
PubMed id: 15742375  
 
 
From the insoluble dye indirubin towards highly active, soluble CDK2-inhibitors.
R.Jautelat, T.Brumby, M.Schäfer, H.Briem, G.Eisenbrand, S.Schwahn, M.Krüger, U.Lücking, O.Prien, G.Siemeister.
 
  ABSTRACT  
 

 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21108279 G.Karapetyan, K.Chakrabarty, M.Hein, and P.Langer (2011).
Synthesis and bioactivity of carbohydrate derivatives of indigo, its isomers and heteroanalogues.
  ChemMedChem, 6, 25-37.  
21287607 J.M.Hayes, V.T.Skamnaki, G.Archontis, C.Lamprakis, J.Sarrou, N.Bischler, A.L.Skaltsounis, S.E.Zographos, and N.G.Oikonomakos (2011).
Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: The role of water molecules examined.
  Proteins, 79, 703-719.  
18618480 M.Habermeyer, S.Guth, and G.Eisenbrand (2008).
25 years food chemistry and toxicology at the University of Kaiserslautern.
  Mol Nutr Food Res, 52, 810-814.  
16770643 B.Zhang, V.B.Tan, K.M.Lim, T.E.Tay, and S.Zhuang (2007).
Study of the inhibition of cyclin-dependent kinases with roscovitine and indirubin-3'-oxime from molecular dynamics simulations.
  J Mol Model, 13, 79-89.  
17541419 M.P.Mazanetz, and P.M.Fischer (2007).
Untangling tau hyperphosphorylation in drug design for neurodegenerative diseases.
  Nat Rev Drug Discov, 6, 464-479.  
17533378 Y.Zhen, V.Sørensen, Y.Jin, Z.Suo, and A.WiedÅ‚ocha (2007).
Indirubin-3'-monoxime inhibits autophosphorylation of FGFR1 and stimulates ERK1/2 activity via p38 MAPK.
  Oncogene, 26, 6372-6385.  
16892242 G.Eisenbrand, and G.Eisenbrand (2006).
Our senior editors. Gerhard Eisenbrand: food chemistry and environmental toxicology.
  Biotechnol J, 1, 135-136.  
16785236 G.Sethi, K.S.Ahn, S.K.Sandur, X.Lin, M.M.Chaturvedi, and B.B.Aggarwal (2006).
Indirubin enhances tumor necrosis factor-induced apoptosis through modulation of nuclear factor-kappa B signaling pathway.
  J Biol Chem, 281, 23425-23435.  
16702956 J.Ribas, K.Bettayeb, Y.Ferandin, M.Knockaert, X.Garrofé-Ochoa, F.Totzke, C.Schächtele, J.Mester, P.Polychronopoulos, P.Magiatis, A.L.Skaltsounis, J.Boix, and L.Meijer (2006).
7-Bromoindirubin-3'-oxime induces caspase-independent cell death.
  Oncogene, 25, 6304-6318.  
16182200 J.Bradbury (2005).
From Chinese medicine to anticancer drugs.
  Drug Discov Today, 10, 1131-1132.  
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.