Inhibitor binding to active and inactive CDK2: The crystal structure of CDK2-cyclin A/indirubin-5-sulphonate

Structure

Volumn 9, Issue 5, 2001, Pages 389-397

  Davies, Thomas G ^a   Tunnah, Paul ^a   Meijer, Laurent ^b   Marko, Doris ^c   Eisenbrand, Gerhard ^c   Endicott, Jane A ^a   Noblel, Martin E M ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b STATION BIOLOGIQUE   (France)

^c University of Koblenz Landau   (Germany)

Author keywords

Chemotherapy; Cyclin dependent kinases; GSK 3; Indirubin; Inhibitors

Indexed keywords

ADENINE; ADENOSINE TRIPHOSPHATE; ANTINEOPLASTIC AGENT; CYCLIN A; CYCLIN DEPENDENT KINASE 2; CYCLIN DEPENDENT KINASE INHIBITOR; E 226; GLYCINE; HYMENIALDISINE; INDIRUBIN; INDIRUBIN 5 SULFONATE; MONOMER; OLOMOUCINE; PAULLONE DERIVATIVE; PURVALANOL; RIBOSE; ROSCOVITINE; STAUROSPORINE; UNCLASSIFIED DRUG;

AMINO TERMINAL SEQUENCE; ARTICLE; BINDING AFFINITY; CARBOXY TERMINAL SEQUENCE; COMPARATIVE STUDY; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENZYME ACTIVATION; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME BINDING; ENZYME PHOSPHORYLATION; HYDROGEN BOND; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION;

CDC2-CDC28 KINASES; CRYSTALLOGRAPHY, X-RAY; CYCLIN A; CYCLIN-DEPENDENT KINASE 2; CYCLIN-DEPENDENT KINASES; DRUG DESIGN; ENZYME ACTIVATION; ENZYME INHIBITORS; INDOLES; PROTEIN CONFORMATION; PROTEIN-SERINE-THREONINE KINASES; SULFONIC ACIDS;

EID: 0034988970     PISSN: 09692126     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0969-2126(01)00598-6     Document Type: Article

References (39)

1. Cyclin-dependent kinases: Engines, clocks and microprocessors
2. Cell-cycle regulators and cancer
3. Cyclin-dependent kinase (CDK) inhibitors
4. Mechanisms of cyclin-dependent kinase regulation: Structure of cdks, their cyclin activators, and Cip and INK4 inhibitors
5. Anticancer drug targets: Cell cycle and checkpoint control
6. Preclinical and clinical development of cyclin-dependent kinase modulators
7. The regulation of E2F by pRb-family proteins
8. INK4a, TGFβ, and contact inhibition
9. The Rb/E2F pathway: Expanding roles and emerging paradigms
10. Where the cell cycle and histones meet
11. Cyclin A-kinase regulation of E2F-1 DNA binding function underlies supression of an S phase checkpoint
12. Selective killing of transformed cells by cyclin/cyclin-dependent kinase 2 antagonists
13. Inhibition of cyclin-dependent kinase by purine analogues. Crystal structures of human cdk2 complexed with roscovitine
14. Inhibition of cyclin-dependent kinases by purine derivatives
15. Multiple modes of ligand recognition: Crystal structure of cyclin dependent protein kinase 2 in complex with ATP and two inhibitors, olomoucine and isopentenyladenine
16. Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors
17. Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2
18. Inhibition of cyclin-dependent kinases, GSK-3β and CK1 by hymenialdisine, a marine sponge constituent
19. The paullones, a series of cyclin-dependent kinase inhibitors: Synthesis, evaluation of CDK1/cyclin B inhibition, and in vitro antitumour activity
20. Indirubin, the active constiuent of a Chinese antileukaemia medicine, inhibits cyclin-dependent kinases
21. Chemical inhibitors of cyclin-dependent kinases: Insights into design from X-ray crystallographic studies
22. Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity
23. Mechanism of CDK activation revealed by the structure of a cyclin A-CDK2 complex
24. Effect of indirubin on DNA synthesis in vitro
25. Studies on the mechanism of action of indirubin in the treatment of chronic granulocytic leukemia. I. Effects on nucleic acid and protein synthesis in human leukemic cells
26. Effect of indirubin on the incorporation of isotope labelled precursors into nucleic acid and protein of tumour tissues
27. Identification of novel purine and pyrimidine cycline-dependent kinase inhibitors with distinct molecular interactions and tumor cell growth inhibition profiles
28. A computational procedure for determining energetically favourable binding sites on biologically important macromolecules
29. The structural basis for specificity of substrate and recruitment peptides for cyclin-dependent kinases
30. Prediction of binding constants of protein ligands: A fast method for the prioritization of hits obtained from de novo design or 3D database search programs
31. Indirubins inhibit glycogen synthase kinase-3β and CDK5/p25, two kinases involved in abnormal tau phosphorylation in Alzheimer's disease - A property common to most CDK inhibitors?
32. An automated package for molecular replacement
33. The CCP4 suite: Programs for protein crystallography
34. Refinement of macromolecular structures by the maximum-likelihood method
35. Crystallography and NMR system
36. Improved method for building models in electron density maps and the location of errors in these models
37. CHARMM - A program for macromolecular energy, minimization and dynamics calculations