Biochemistry: Structural bioinformatics-based design of selective, irreversible kinase inhibitors

Science

Volumn 308, Issue 5726, 2005, Pages 1318-1321

  Cohen, Michael S ^a   Zhang, Chao ^a   Shokat, Kevan M ^a   Taunton, Jack ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CELL CULTURE; CELLS; ENZYME INHIBITION; ENZYMES; GENETIC ENGINEERING;

BIOINFORMATICS; CYSTEINE; PROTEIN KINASE; SELECTIVITY FILTERS;

BIOCHEMISTRY;

CHLORINE DERIVATIVE; CHLOROMETHYL KETONE; CYSTEINE; FLUORINE DERIVATIVE; FLUOROMETHYL KETONE; KETONE DERIVATIVE; PROTEIN KINASE INHIBITOR; PYRROLO[2,3 D]PYRIMIDINE DERIVATIVE; S6 KINASE; S6 KINASE 1; S6 KINASE 2; THREONINE; UNCLASSIFIED DRUG; CYTIDINE DEAMINASE; ENZYME INHIBITOR; EPIDERMAL GROWTH FACTOR; FUSED HETEROCYCLIC RINGS; HALOMETHYLKETONE PYRROLOPYRIMIDINE CMK; HALOMETHYLKETONE PYRROLOPYRIMIDINE FMK; HALOMETHYLKETONE PYRROLOPYRIMIDINE-CMK; HALOMETHYLKETONE PYRROLOPYRIMIDINE-FMK; HISTONE; RIBOSOMAL PROTEIN S6 KINASE 2; SERINE;

BIOCHEMISTRY;

AMINO ACID COMPOSITION; ANIMAL CELL; ARTICLE; BIOINFORMATICS; CONTROLLED STUDY; DRUG DESIGN; DRUG SELECTIVITY; ENZYME ACTIVE SITE; FILTER; HUMAN; HUMAN CELL; MAMMAL CELL; NONHUMAN; PRIORITY JOURNAL; PROTEIN DOMAIN; AMINO ACID SEQUENCE; ANIMAL; BINDING SITE; BIOLOGY; CELL STRAIN COS1; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; HYDROPHOBICITY; METABOLISM; MUTATION; PHOSPHORYLATION; PROTEIN TERTIARY STRUCTURE; SEQUENCE ALIGNMENT; STRUCTURE ACTIVITY RELATION;

ANIMALIA; MAMMALIA;

AMINO ACID SEQUENCE; ANIMALS; BINDING SITES; COMPUTATIONAL BIOLOGY; COS CELLS; CYSTEINE; CYTIDINE DEAMINASE; ENZYME INHIBITORS; EPIDERMAL GROWTH FACTOR; HETEROCYCLIC COMPOUNDS, 2-RING; HISTONES; HYDROPHOBICITY; MOLECULAR STRUCTURE; MUTATION; PHOSPHORYLATION; PROTEIN STRUCTURE, TERTIARY; RIBOSOMAL PROTEIN S6 KINASES, 90-KDA; SEQUENCE ALIGNMENT; SERINE; STRUCTURE-ACTIVITY RELATIONSHIP; THREONINE;

EID: 19744364796     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science1108367     Document Type: Article

References (22)

1. G. Manning, D. B. Whyte, R. Martinez, T. Hunter, S. Sudarsanam, Science 298, 1912 (2002).
2. B. J. Druker et al., Nat. Med. 2, 561 (1996).
3. A. J. Barker et al., Bioorg. Med. Chem. Lett. 11, 1911 (2001).
4. Y. Liu et al., Chem. Biol. 6, 671 (1999).
5. T. Schindler et al., Mol. Cell 3, 639 (1999).
6. X. Zhu et al., Structure Fold. Des. 7, 651 (1999).
7. E. Buchdunger et al., J. Pharmacol. Exp. Ther. 295, 139 (2000).
8. D. W. Fry et al., Proc. Natl. Acad. Sci. U.S.A. 95, 12022 (1998).
9. O. Buzko, K. M. Shokat, Bioinformatics 18, 1274 (2002).
10. I. Tsigelny et al., Biopolymers 50, 513 (1999).
11. T. W. Sturgill, L. B. Ray, E. Erikson, J. L. Maller, Nature 334, 715 (1988).
12. M. Frodin, S. Gammeltoft, Mol. Cell. Endocrinol 151, 65 (1999).
13. A. Hanauer, I. D. Young, J. Med. Genet. 39, 705 (2002).
14. C. A. Chrestensen, T. W. Sturgill, J. Biol. Chem. 277, 27733 (2002).
15. M. S. Cohen, J. Taunton, unpublished data.
16. B. J. Canagarajah, A. Khokhlatchev, M. H. Cobb, E. J. Goldsmith, Cell 90, 859 (1997).
17. T. A. Vik, J. W. Ryder, Biochem. Biophys. Res. Commun. 235, 398 (1997).
18. K. N. Dalby, N. Morrice, F. B. Caudwell, J. Avruch, P. Cohen, J. Biol. Chem. 273, 1496 (1998).
19. M. Frodin, C. J. Jensen, K. Merienne, S. Gammeltoft, EMBO J. 19, 2924 (2000).
20. A. Soloaga et al., EMBO J. 22, 2788 (2003).
21. A. F. Burchat et al., Bioorg. Med. Chem. Lett. 10, 2171 (2000).
22. This work was supported by the Searle Scholars Foundation (J.T.), the NIH (K.M.S.), and the ARCS Foundation (M.S.C.). We thank Y. Feng, T. Alber, K. Shah, T. Sturgill, C. Bjorbaek, M. Frodin, and M. Cobb