Abstract
Prediction of the tertiary structures of proteins may be carried out using a knowledge-based approach. This depends on identification of analogies in secondary structures, motifs, domains or ligand interactions between a protein to be modelled and those of known three-dimensional structures. Such techniques are of value in prediction of receptor structures to aid the design of drugs, herbicides or pesticides, antigens in vaccine design, and novel molecules in protein engineering.
This is a preview of subscription content, access via your institution
Access options
Subscribe to this journal
Receive 51 print issues and online access
$199.00 per year
only $3.90 per issue
Buy this article
- Purchase on Springer Link
- Instant access to full article PDF
Prices may be subject to local taxes which are calculated during checkout
Similar content being viewed by others
References
Blundell, T. L. et al. Phil. Trans. R. Soc. A 317, 333–344 (1986).
Porter, R. & Whelan, J. (eds) Synthetic Peptides as Antigens, CIBA Foundation Symposium 119 (Wiley, Avon, 1986).
Haddon, R. C. & Lamola, A. A. Proc. natn. Acad. Sci. U.S.A. 82, 1874–1878 (1985).
Wagner, G. & Wuthrich, K. J. molec. Biol. 155, 347–366 (1982).
Winter, G. & Fersht, A. R. Trends Biotechnol. 2, 115–119 (1984).
Richards, W. G. (ed.) J. molec. Graphics 4, 1–73 (1986).
Brooks, B. & Karplus, M. Proc. natn. Acad. Sci. U.S.A. 80, 6571–6575 (1983).
Kneale, G. G. & Bishop, M. J. Cabios Rev. 1, 11–17 (1985).
Needleman, S. B. & Wunsch, C. D. J. molec. Biol. 48, 443–453 (1970).
Sellers, P. J. appl. Math. 26, 787–793 (1974).
Waterman, M. S., Smith, T. F. & Beyer, W. A. Adv. Math. 20, 367–387 (1976).
Fitch, W. M. & Smith, T. F. Proc. natn. Acad. Sci. U.S.A. 80, 1382–2386 (1983).
Barton, G. & Sternberg, M. J. E. Protein Engng (in the press).
Lesk, A., Levitt, M. & Chothia, C. Protein Engng 1, 77–78 (1987).
Gooad, W. B. & Kanehisa, M. I. Nucleic Acids Res. 10, 247–263 (1982).
Sellers, P. Proc. natn. Acad. Sci. U.S.A. 76, 3041–3044 (1979).
Boswell, D. R. & McLachlan, A. D. Nucleic Acids Res. 12, 457–464 (1984).
Taylor, W. R. J. molec. Biol. 188, 233–258 (1986).
Bajaj, M. & Blundell, T. L. A. Rev. Biophys. Bioengng 13, 453–492 (1984).
Greer, J. J. molec. Biol. 153, 1027–1042 (1981).
Richardson, J. S., Getzoff, E. D. & Richardson, D. C. Proc. natn. Acad. Sci. U.S.A. 75, 2574–2578 (1978).
Cutfield, J. F. et al. in Structural Studies on Molecules of Biological Interest (ed. Dodson, G. C.) 501–508 (Clarendon Press, Oxford, 1981).
Lesk, A. M. & Chothia, C. J. molec. Biol. 136, 225–270 (1980).
Lesk, A. M. & Chothia, C. J. molec. Biol. 160, 325–342 (1982).
Chothia, C. & Lesk, A. M. J. molec. Biol. 160, 309–323 (1982).
Chothia, C. & Lesk, A. M. EMBO J. 5, 823–826 (1986).
Hubbard, T. & Blundell, T. L. Prot. Engng (submitted).
Browne, W. J. et al. J. molec. Biol. 120, 97–120 (1969).
Jones, A. T. J. appl. Cryst. 11, 268–272 (1978).
Palmer, K. A., Scheraga, H. A., Riordan, J. F. & Vallee, R. Z. Proc. natn. Acad. Sci. U.S.A. 83, 1965–1969 (1986).
Isaacs, N. et al. Nature 271, 278–281 (1978).
Bedarkar, S. et al. Nature 270, 449–451 (1977).
Blundell, T. L., Bedarkar, S. & Humbel, R. E. Proc. natn. Acad. Sci. U.S.A. 75, 180–184 (1978).
Travers, P. et al. Nature 310, 235–278 (1984).
Blundell, T. L., Sibanda, B. L. & Pearl, L. H. Nature 304, 273–275 (1983).
Sibanda, B. L. et al. FEBS Lett. 174, 103–111 (1984).
Carlson, W., Karplus, M. & Haber, E. Hypertension 7, 13–26 (1985).
Akahone, P. et al. Hypertension 7, 3–12 (1985).
Chothia, C. et al. Science 233, 755–758 (1986).
La Paz, P., Sutton, B. R., Darsley, M. J. & Rees, A. R. EMBO J. 5, 415–425 (1986).
Ripka, W. C. Nature 321, 93–94 (1986).
O'Neil, K. & De Grado, W. F. Proc. natn. Acad. Sci. U.S.A. 82, 4954–4958 (1985).
Sutcliffe, M. & Haneef, I. Inf. Q. Prot. Cryst. 18, 11–18 (1986).
Read, R. J., Fujinaga, M., Sielecki, A. R. & James, M. N. G. Biochemistry 22, 4420–4433 (1983).
Read, R. J., Brayer, G. D., Jarasek, L. & James, M. N. G. Biochemistry 23, 6570–6575 (1984).
Sibanda, B. L. & Thornton, J. M. Nature 316, 170–174 (1985).
Edwards, M., Sternberg, M. J. E. & Thornton, J. M. Prot. Engng (in the press).
Moult, J. & James, M. N. Proteins 2, 146–163 (1986).
Milner-White, J. & Poet, R. Biochem. J. 240, 289–292 (1986).
Sibanda, B. L. thesis, Univ. London (1986).
Jones, T. A. & Sirup, T. EMBO J. 5, 819–822 (1986).
Crippen, G. M. in Chemometric Research Studies Series Vol. 1 (ed. Bandan, D.) 1–58 (Wiley, New York, 1981).
Weiner, S. J. et al. J. Am. chem. Soc. 106, 765–784 (1984).
Brooks, B. R. J. Computation Chem. 4, 187–217 (1983).
Shih, H. L., Brady, J. & Karplus, M. Proc. natn. Acad. Sci. U.S.A. 82, 1697–1700 (1985).
Hagler, A. T. & Moult, J. Nature 272, 222–227 (1979).
Wodak, S. J., Alard, P., Delhouse, P. & Renneboog-Squilbin, C., J. molec. Biol. 181, 317–322 (1984).
Robson, B. & Platt, E. J. molec. Biol. 188, 259–281.
Summers, L. D. et al. Expl Eye Res. 43, 77–92 (1986).
Driessen, H. P. C. & White, H. in Molecular Replacement (ed. Machin, P. A.) 27–32 (Daresbury Laboratory, Daresbury, 1985).
Amit, A. G. et al. Science 233, 747–753 (1986).
Novotny, J., Bruccoleri, R. & Karplus, M. J. molec. Biol. 177, 787–818 (1984).
Banner et al. Nature 255, 609–614 (1975).
Abad-Zapatero, C. et al. Nature 286, 33–39 (1980).
Wistow, G., Summers, L. J. & Blundell, T. L. Nature 315, 771–773 (1985).
Wieranga, R. K. & Hol, W. G. Nature 302, 842–844 (1983).
Sternberg, M. J. E. & Taylor, W. R. FEBS Lett. 175, 387–392 (1984).
Neuberger, M. S., Williams, G. T. & Fox, R. O. Nature 312, 604–608 (1984).
Hemmings, A., Foundling, S., Sibanda, B. L., Wood, S. P. & Blundell, T. L. Trans. Biochem. Soc. 13, 1036–1041 (1985).
Thomas, K. A., Smith, G. M., Thomas, T. J. & Feldmann, R. J., Proc. natn. Acad. Sci. 79, 4843–4847 (1982).
Reid, K. S. C., Lindley, P. F. & Thornton, J. M. FEBS Lett. 190, 209–213 (1985).
Singh, J. & Thornton, J. M. FEBS Lett. 191, 1–6 (1985).
Nussenzweig, V. & Nussenzweig, R. in Ciba Foundation Symposium 119 (eds Porter, R. & Whelan, J.) 150–163 (Wiley, Avon, 1986).
Geysen, H. M., Rodda, S. J. & Mason, T. J. in Ciba Foundation Symposium 119 (eds Porter, R. & Whelan, J.) 130–149 (Wiley, Avon, 1986).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Blundell, T., Sibanda, B., Sternberg, M. et al. Knowledge-based prediction of protein structures and the design of novel molecules. Nature 326, 347–352 (1987). https://doi.org/10.1038/326347a0
Issue Date:
DOI: https://doi.org/10.1038/326347a0
This article is cited by
-
Formation of hierarchically ordered structures in conductive polymers to enhance the performances of lithium-ion batteries
Nature Energy (2023)
-
Identification of a novel oncogenic mutation of FGFR4 in gastric cancer
Scientific Reports (2019)
-
Binding of Pb-Melatonin and Pb-(Melatonin-metabolites) complexes with DMT1 and ZIP8: implications for lead detoxification
DARU Journal of Pharmaceutical Sciences (2019)
-
Characterization and improved properties of Glutamine synthetase from Providencia vermicola by site-directed mutagenesis
Scientific Reports (2018)
-
Rescoring of docking poses under Occam’s Razor: are there simpler solutions?
Journal of Computer-Aided Molecular Design (2018)
Comments
By submitting a comment you agree to abide by our Terms and Community Guidelines. If you find something abusive or that does not comply with our terms or guidelines please flag it as inappropriate.