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Document Page 156 The stumbling block did not lie with obtaining pure PNP or converting the protein into crystals. Robert E. Parks, Jr. and Johanna D. Stoeckler of Brown University had already isolated the enzyme from human cells. They supplied quantities of protein to William J. Cook, who succeeded in preparing the well-ordered crystals required for x-ray studies [16]. We established that PNP crystals function normally as a catalyst. Thus crystalline PNP is essentially identical to PNP in the body. If it were profoundly different, one would have no justification for basing drug design on the crystal structure. In the early years we had to depend on a relatively low-intensity x-ray source. High-resolution data was obtained through collaboration with John R. Helliwell and his group at the Daresbury Laboratory Synchrotron Radiation Source in England. Today greatly improved equipment and more synchrotron facilities are available for protein crystallography. The three-dimensional structure was determined <strong>by</strong> multiple isomorphous replacement techniques using synchrotron radiation [17]. The native and guanine-PNP complex structures have been refined to 2.8 Å resolution [18,19]. A. <strong>Structure</strong> of the Enzyme Crystals of human PNP are grown from ammonium sulfate solution and stored in artificial mother liquor solution made of 60% ammonium sulfate in 0.05 M citrate buffer at pH 5.4. The space group is R32 with hexagonal cell parameters a=142.9(1) Å and c=165.2(1) Å. The PNP crystals contain about 76% solvent and diffract to around 2.8 Å resolution. The x-ray data established that PNP crystals contain a high percentage of water. This feature proved very useful; proposed drugs could easily be soaked into the active site without disrupting the crystal packing. Figure 4A shows the http://legacy.netlibrary.com/nlreader/nlReader.dll?bookid=12640&filename=Page_156.html [4/5/2004 5:01:21 PM]
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Document 2 Structural Studies of HI
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Document dine (3TC), and 2',3'-dide
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Document Page 54 Table 2) [12,54].
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Document Table 3 HIV-1 RT Amino Aci
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Document ever, once an NNRTI is bou
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Document Chris Tantillo. The work i
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Document reverse transcriptase inhi
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Document dine) and didanosine (dide
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Document 163. Lacey SF, Larder BA.
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Document Figure 1 Retroviral lifecy
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Document Page 106 on the same ring
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Document Page 108 mulate during tre
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Document when metals are bound. Fin
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Page 149 and 150: Document 4 Bradykinin Receptor Anta
Page 151 and 152: Document Page 121 Nearly all cells
Page 153 and 154: Document Page 123 were poorly satis
Page 155 and 156: Document Page 125 binding site on t
Page 157 and 158: Document Page 127 The des-Arg 9 for
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Page 161 and 162: Document receptor, it has not yet b
Page 163 and 164: Document Page 133 This initial stag
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Page 169 and 170: Document Figure 6 Rat and human B2
Page 171 and 172: Document Page 141 receptor with int
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Page 175 and 176: Document Figure 9 Composition of te
Page 179 and 180: Document 16. Martorana PA, Kettenba
Page 181 and 182: Document 39. Mavunkel BJ, Lu Z, Kyl
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Page 185 and 186: Document B. Pharmacology Figure 1 T
Page 187 and 188: Document We determined the structur
Page 189: Document Figure 3 Previously known
Page 195 and 196: Document large solvent channels and
Page 197 and 198: Document IV. Drug Design Progressio
Page 199 and 200: Document position eight from formin
Page 201 and 202: Document Table 1 Inhibition Data fo
Page 203 and 204: Document Page 166 As predicated, th
Page 205 and 206: Document References 1. Parks RE Jr.
Page 207 and 208: Document 17. Ealick SE, Rule SA, Ca
Page 209 and 210: Document 6 Structural Implications
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Page 215 and 216: Document Page 176 0.43 Å) as the c
Page 217 and 218: Document Page 178 studies show that
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Page 221 and 222: Document Page 182 (SAR) model. The
Page 223 and 224: Document IX. S2' Interactions Page
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Page 227 and 228: Document 5. Willenbrock F, Murphy G
Page 229 and 230: Document 20. Murphy G, Docherty AJP
Page 231 and 232: Document Page 189 36. Bode W, Reine
Page 233 and 234: Document 7 Structure—Function Rel
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Document Important for the validity
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Document Figure 4 Amino acids impor
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Document III. Results and Discussio
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Document Page 202 269, and valine-2
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Document Figure 6 Structure of α h
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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 Figure 3 C α trace of the
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Document Figure 4 Surface represent
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Document This method was used to sc
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Document Cyclotheonamide A (CtA), a
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Document balance its pro- and antic
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Document Table 2 Naturally Occurrin
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Document Table 3 Active Site Sequen
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Document Lys in the P1 position is
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Document 12 Polypeptide Modulators
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Document 65. João HC, Williams RJP
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Document 84. Verlinde CLMJ, Hol WGJ
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Document 16 Progress in the Design
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Document Table 1 Known Three-Dimens
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Document Page 398 with growth hormo
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Document All effects of the IL-1 fa
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Document Page 405 strands constitut
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Document Figure 7 (a) Superposition
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Document Page 412 ture is unlike ot
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Document Page 416 positions of the
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Document Figure 11 Functional resid
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Document Figure 13 The identified p
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Document B. Interleukin-1 Receptor
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Document 39. Saurat JH, Schfferli J
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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 II. Type IFNs A great deal
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Document Page 441 sequence of the m
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Document Page 443 that allowed for
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Document Figure 4 Stereo view of IF
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Document Figure 5 Velcro-key model
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Document Figure 6 Proposed receptor
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Document Page 451 with the cytoplas
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Document Page 462 strains of influe
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Document B. Protein Structure Page
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Document hydroxy, and 6 Neu5Ac2en -
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Document Page 476 nM, respectively.
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Document VI. Conclusion Page 480 It
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Document A. The Canyon Page 491 The
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Document Subsequent studies have sh
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Document Page 495 of the RNA and pr
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Document Figure 5 Some compounds wh
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Document Acknowledgments Page 620 I
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Document Med Biol 1991; 306:9-21; (
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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 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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