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Document Page 611 of a P 1'–P 3' peptide scaffold [54]. To date, no 3D structural information is available for MMP-2 with respect to either the apoprotein catalytic domain or inhibitor complexes thereof. Finally, in the example of stromelysin-1, potent inhibitors have been designed (e.g., 49, Figure 11 [55]) by N-terminal carboxyalkylamino functionalization that includes a P 1 substituent. An x-ray crystallographic structure of a related MMP-3 inhibitor 125 shows (Figure 29) the hydrogen-bonding interactions at the active site and carboxylate coordination with the Zn 2+ [223]. Finally, a recently determined x-ray crystallographic structure of an Pheψ[P=O(OH)CH 2]Ala-modified peptide inhibitor 126 complexed with astacin (Figure 29) shows the extensive hydrogen-bonding network between inhibitor, enzyme, Zn 2+, and a structural water [226]. It is expected that iterative structure-based design of inhibitors of the MMP family will enable the discovery of novel compounds with superior binding affinities and/or selectivities. C. Signal-Transduction Protein Targets Beyond proteases the opportunity for structure-based drug design is being realized in the rapidly developing area of signal-transduction research (e.g., intracellular protein and nucleic acid targets). Both x-ray crystallography and/or NMR spectroscopy have significantly contributed to a wide-scope database of 3D structural information for various catalytic and noncatalytic signal-transduction protein targets (see Table 3). These include tyrosine kinases (e.g., growth factor receptor kinases and Src family kinases; for reviews see Reference 231), serine/threonine and “dual specificity” kinases (e.g., mitogenactivated protein kinases and CDK2 and cAMP-dependent protein kinases; for reviews see Reference 232), phosphotyrosine phosphatases (e.g., PTP1B and Syp; for reviews see Reference 233), phosphoserine/phosphothreonine and “dual specificity” phosphatases (e.g., VH1 and CDC25; for reviews see Reference 234), noncatalytic “adapter” proteins (e.g., Crk, Grb2, Shc, and IRS-1; for reviews see Reference 85), transferases (e.g., Ras farnesyl transferase; for reviews see Reference 81), proline cis-trans isomerases (e.g., FKBP-12 and cyclophilin A; for reviews see Reference 235), and GTPbinding proteins (e.g., p21 Ras and α-β/γ heterotrimeric G-protein for GPCR superfamily; for reviews see References 236 and 237, respectively). The diversity of targets, mechanistic relationships (e.g., enzyme–substrate or regulatory protein–protein interaction), and potential therapeutic opportunities has created great impetus for focused research in the area of signal transduction (for reviews see References 265–267). Src Homology-2 and Homology-3 Domains The identification of noncatalytic regulatory domains referred to as Src homology (SH) domains has been rapidly advanced over recent years as a critical link http://legacy.netlibrary.com/nlreader/nlReader.dll?bookid=12640&filename=Page_611.html [4/9/2004 1:38:43 AM]
Document Figure 29 Protease 3D structural models: matrix metallo protease-inhibitor complexes and drug design http://legacy.netlibrary.com/nlreader/nlReader.dll?bookid=12640&filename=Page_612.html (1 of 2) [4/9/2004 1:39:38 AM] Page 612
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Document 2 Structural Studies of HI
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Document Page 54 Table 2) [12,54].
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Document Chris Tantillo. The work i
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Document Page 72 16. Goldman ME, Nu
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Document reverse transcriptase inhi
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Document 106. Cirino NM, Cameron CE
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Document dine) and didanosine (dide
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Document 163. Lacey SF, Larder BA.
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Document Page 108 mulate during tre
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Document when metals are bound. Fin
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Document cubation of phosphotyrosin
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Document 4 Bradykinin Receptor Anta
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Document Page 125 binding site on t
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Document receptor, it has not yet b
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Document Figure 6 Rat and human B2
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Document Page 141 receptor with int
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Document Figure 9 Composition of te
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Document B. Pharmacology Figure 1 T
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Document We determined the structur
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Document Figure 3 Previously known
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Document Page 166 As predicated, th
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Document References 1. Parks RE Jr.
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Document 6 Structural Implications
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Document IX. S2' Interactions Page
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Document Important for the validity
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Document Figure 4 Amino acids impor
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Document Page 202 269, and valine-2
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Document Page 205 enzyme and of phe
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Document Page 207 sure and the acti
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Document protein kinase core is ess
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Document 17 Structure and Functiona
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Document Table 1 Approval Indicatio
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Document Page 438 proteins. One pot
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Document Page 495 of the RNA and pr
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Page 735 and 736: Document Page 595 the MC1 receptor
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Page 743 and 744: Document Page 603 hydroxymethyl sub
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Page 747 and 748: Document Page 607 scopic studies pr
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Page 763 and 764: Document Figure 32 PTP and PTB 3D s
Page 765 and 766: Document Acknowledgments Page 620 I
Page 767 and 768: Document 18. Sawyer TK. In: Peptide
Page 769 and 770: Document Page 622 Fukuroda T, Fukam
Page 771 and 772: Document Page 623 53. Bird J, Harpe
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Page 775 and 776: Document MA, Welch KM, Hallak H, Ta
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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 Kininogen, 119 high molecu
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Document RT inhibitor, 41, 56 Nonpe
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Document Phosphoglycerate kinase (P
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Document [Protease targets] serinyl
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