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Document Page 226 the bidentate bond-forming residues of the inhibitor and it is through protein crystallography that these are determined. Template modeling can then be used to determine the specific surface charges of the modeled kinase that can be exploited by the inhibitor for its specificity. Modeling and focused combinatorial chemistry are the tools to achieve the goal of inhibitor specificity. Acknowledgments This work was supported by CTR grant 4237. We thank Drs. Furet, P. Traxler, and N. Lydon of Ciba for their drawings presented in Figure 5. We also thank Dr. Nikola P. Pavletich for the coordinates of the CDK2-CYCLIN complex used in Figure 2. References 1. De Bondt HL, Rosenblatt J, Jancarik J, Jones HD, Morgan DO, Kim SH. Crystal structure of cyclindependent kinase2. Nature 1993; 363:595–602. 2. Hu S-H, Parker MW, Lei JY, Wilce MCJ, Benian GM, Kemp BE. Insights into autoregulation from the crystal structure of twitchin kinase. Nature 1994; 369:581–584. 3. Hubbard SR, Wei L, Ellis L, Hendrickson WA. Crystal structure of the tyrosine kinase domain of the human insulin receptor. Nature 1994; 372:746–754. 4. Zhang F, Strand A, Robbins D, Cobb MH, Goldsmith EJ. Atomic structure of the MAP kinase ERK2 at 2.3 Å resolution. Nature 1994; 367:704–710. 5. Owen DJ, Noble MEM, Garman EF, Papageorgiou AC, Johnson LN. Two structures of the catalytic domain of phosphorylase kinase; an active protein kinase complexed with substrate analogue and product. Structure 1995; 3:467–482. 6. Xu R-M, Carmel G, Sweet RM, Kuret J, Cheng X. Crystal structure of casein kinase-1, a phosphatedirected protein kinase. The EMBO Journal 1995; 14:1015–1023. 7. Jeffrey PD, Russo AA, Polyak K, Gibbs E, Hurwitz J, Massague J, Pavletich NP. Mechanism of CDK activation revealed by the structure of a cyclinA-CDK2 complex. Nature 1995; 376:313–320. 8. Goldberg J, Nairn AC, Kuryian J. Structural basis for the autoinhibition of calcium/calmodulindependent protein kinase I. Cell 1996; 84:875–887. 9. Knighton DR, Zheng J-H, Ten Eyck LF, Xuong N-H, Taylor SS, Sowadski JM. Structure of a peptide inhibitor bound to the catalytic subunit of cyclic adenosine monophosphate-dependent protein kinase. Science 1991; 253:414–420. http://legacy.netlibrary.com/nlreader/nlReader.dll?bookid=12640&filename=Page_226.html (1 of 2) [4/5/2004 5:07:38 PM]
Document 10. Knighton DR, Zheng J-H, Ten Eyck LF, Ashford VA, Xuong N-H, Taylor SS, Sowadski JM. Crystal structure of the catalytic subunit of cyclic adenosine monophosphate dependent protein kinase. Science 1991; 253:407–414. 11. Zheng J-H, Trafny EA, Kninghton DR, Xuong N-H, Taylor SS, Ten Eyck LF, Sowadski JM. 2.2Å refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MnATP and a peptide inhibitor. Acta Cryst 1993; D49:362–365. http://legacy.netlibrary.com/nlreader/nlReader.dll?bookid=12640&filename=Page_226.html (2 of 2) [4/5/2004 5:07:38 PM]
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Document Med Biol 1991; 306:9-21; (
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Document Page 629 ML, Clare M, Decr
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Document Cyclotheonamide A (CtA), 2
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Document D ddI, 152 tumour necrosis
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Document antistasin peptides, 281 c
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Document fragment-based programs, 5
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Document [Human immunodeficiency vi
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Document Kininogen, 119 high molecu
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Document Phosphoglycerate kinase (P
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Document [Protease targets] serinyl
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