College Fellows and Staff

Professor Sir Blundell

Professor Sir Tom L Blundell

Fellow in Natural Sciences (Biochemistry)

College Room: K1

College Tel: +44 1223 3 38835

Dept. Tel: +44 1223 3 33628

Email: tom@cryst.bioc.cam.ac.uk

Web: Department, Research Group

Personal Biography

Tom Blundell has been Sir William Dunn Professor of Biochemistry at the University of Cambridge since 1995, and from 1 October 2003 Chairman of the Council of Biological Sciences in Cambridge. His research is focused on structural biology of cell regulation, structural bioinformatics and applications to drug discovery and medicine. After research and teaching positions in Molecular Biophysics in Oxford and Biochemistry in Sussex Universities, he was appointed in 1976 Professor in Birkbeck College, University of London and in 1989 Honorary Director, Imperial Cancer Research Fund Unit of Structural Molecular Biology. Tom Blundell is a member of Academia Europaea, a Fellow of the Royal Society and Fellow of Academy of Medical Sciences. He has Honorary Doctorates from fifteen universities.

Tom Blundell has played an active role in national science policy. In the 1980s, he was a member of the advisory group to the Prime Minister (ACOST). He was Director General, Agricultural and Food Research Council (1991 1994) and founding Chief Executive, Biotechnology and Biological Sciences Research Council, BBSRC (1994-1996). He was Chairman of the Royal Commission on Environmental Pollution, 1998 to 2005. He was President of the UK Biosciences Federation between 2004 and 2008. He co-founded Astex Therapeutics which has oncology drugs in early stage clinical trials in USA and UK. He was a Non-Executive Director of Celltech from 1996 to 2005 and has been involved in science advisory roles with Pfizer, UCB and SmithKlyneBeecham.

Selected Publications

Published Work: 440 Publications, ~30 in Nature, Science etc

1. Furnham N., de Bakker P.I.W, Gore S., Burke D.F. and Blundell T.L. (2008) Comparative modelling by restraint-based conformal sampling. BMC Structural Biology 2008, 8:7. doi:10.1186/1472-6807-8-7

2. Cheng, T., Blundell, T.L., Fernandez-Recio, J. (2007) pyDock: electrostatics and desolvation for effective scoring of rigid-body protein-protein docking Proteins 68, 503-515.

3. Blundell TL (2007) In Proceedings of the International Belstein Workshop: Molecular Interactions: Bringing Chemistry to Life Ed Hicks MG and Kettner C

4. Blundell TL (2007) New Dimensions of Structural Proteomics: Exploring Chemical and Biological Space. Structure 15, 1342-1343.

5. Worth C.L., Bickerton G.R.J, Schreyer A., Forman, J.R., Cheng T.M.K., Lee S., Gong S., Burke D.F. and Blundell T.L. (2007) A structural bioinformatics approach to the analysis of nonsynonymous single nucleotide polymorphisms (n SNPs) and their relation to disease. Journal Bioinformatics & Computational Biology 5, 1297 - 1318

6. Li Y, Chirgadze DY, Bolanos-Garcia VM, Sibanda BL, Davies OW, Ahnesorg P, Jackson SP, Blundell TL (2007) Crystal structure of human XLF/Cernunnos reveals unexpected differences from XRCC4 with implications for NHEJ. EMBO Journal 27(1):290-300

7. Ciulli A, Blundell TL, Abell C (2007) Discovery and Extrapolation of Fragment Structures towards Drug Design. RSC Monograph : Computational and Structural Approaches to Drug Discovery: Protein-Ligand Interactions' Ed R Stroud pp

8. Harmer NJ, King JD, Palmer CM, Preston A, Maskell DJ, Blundell TL.(20070 Cloning, expression, purification and preliminary crystallographic analysis of the short-chain dehydrogenase enzymes WbmF, WbmG and WbmH from Bordetella bronchiseptica. Acta Crystallogr Sect F Struct Biol Cryst Commun. 63,711-5.

9. King JD, Harmer NJ, Preston A, Palmer CN, Rejzek M, Field RA, Blundell TL, Maskell DJ J. (2007) Predicting Protein Function from Structure—The Roles 2 of Short-chain dehydrogenase/Reductase Enzymes in 3 Bordetella O-antigen Biosynthesis. J. Mol. Biol. 374, 749–763

10. Burke DF, Worth CL, Prego EM, Cheng T, Smink LJ, Todd JA and Blundell TL (2007) Bioinformatic analysis of non-synonymous SNPs BMC Bioinformatics, 8:301

11. Sanders J, Chirgadze DY, Sanders P, Baker S, Sullivan A, Bhardwaja A, Bolton J, Reeve M, Nakatake N, Evans M, Richards R, Powell M, Nunez Miguel R, Blundell TL, Furmaniak J, Rees Smith B (2007) Crystal Structure of the TSH Receptor in Complex with a Thyroid-Stimulating autoantibody THYROID 17, 395-410

12. Gore SP, Karmali AM and Blundell TL (2007) RapperTK : a versatile engine for discrete restraint-based conformational sampling of macromolecules BMC Structural Biology 7:13

13. Kerbarh O, Ciulli A, Chirgadze D, Blundell TL and Abell C (2007) Nucleophile Selectivity of Chorismate-Utilizing Enzymes. ChemBioChem 8, 1–3

14. Ciulli A, Lobley C, Tuck KL, Smith AG, Blundell TL and Abell C (2007) pH-tuneable binding of 2_-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study. Acta Cryst. D63, 171–178

15. Ciulli A, Chirgadze DY, Smith AG, Blundell TL, Abell C. (2007) Crystal structure of Escherichia coli ketopantoate reductase in a ternary complex with NADP+ and pantoate bound: substrate recognition, conformational change, and cooperativity. J Biol Chem. 282:8487-97.

16. Blundell TL, Fernández-Recio J. (2006) Cell biology: brief encounters bolster contacts. Nature. 444:279-80.

17. Chelliah V, Blundell TL. (2006) Quantifying structural and functional restraints on amino acid substitutions in evolution of proteins. In "Oleg Borisovich Ptitsyn: Personality, Scientist, Teacher, Friend" (Eds. V.E. Bychkova, A.V. Finkelstein) University Publishing House, Moscow., pp. 135-148,

18. Bolanos-Garcia VM, Fernandez-Recio J, Allende JE and Blundell TL (2006) Identifying interaction motifs in CK2b – a ubiquitous kinase regulatory subunit. Trends in Biochemical Sciences 31, 654-661

19. Chelliah V, Blundell TL, Fernández-Recio, J. (2006) Efficient Restraints for Protein-Protein Docking by Comparison of Observed Amino Acid Substitution Patterns with those Predicted from Local Environment. J.Mol.Biol. 357, 1669-1682

20. Ryu EK, Cho KJ, Kim JK, Harmer NJ, Blundell TL, Kim KH (2006) Expression and

purification of recombinant human Fibroblast growth factor receptor in Escherichia coli. Science Direct Protein Expression and Purification 49: 15–22

21. N. Furnham, A.S. Dore, D.Y. Chirgadze, P.I.W. de Bakker, M.A. DePristo, T.L. Blundell (2006) Knowledge-based Real-space Explorations for Low Resolution Structure Determination. Structure. 14: 1313-1320

22. Ciulli A, Williams G, Smith AG, Blundell TL and Abell C (2006) Probing Hot Spots at Protein-Ligand Binding Sites: A Fragment-Based Approach Using Biophysical Methods. J. Med. Chem. 49: 4992 – 5000

23. Hoskins J, Lovell S and Blundell TL (2006) An algorithm for predicting protein-protein interaction sites: abnormally exposed amino acid residues and secondary structure elements. Protein Science. 15:1017-1029

24. Kerbath O, Chirgadze D, Blundell TL, and Abell C (2006) Crystal Structures of Yersinia enterocolitica Salicylate Synthase and its Complex with the Reaction Products Salicylate and Pyruvate. J. Mol. Biol 357, 524-534.

25. Blundell TL, Sibanda BL, Montalvao RW, Brewerton S, Vijayalakshmi C, Worth CL, Harmer NJ, Davies O and Burke D. (2006). Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery. Phil. Trans. R. Soc. B. 361, 413-423.

26. Furnham N, Blundell TL, DePristo MA, Terwilliger T (2006) Is one solution sufficient? Nature Structural Molecular Biology. 13, 184-185

27. Popovic B, Tang X, Chirgadze DY, Huang F, Blundell TL, Spencer JB. (2006) Crystal structures of the PLP- and PMP-bound forms of BtrR, a dual functional aminotransferase involved in butirosin biosynthesis. Proteins. 65(1):220-30.

28. P.I.W. de Bakker, N. Furnham, T.L. Blundell, M.A. DePristo (2006) Conformer generation under restraints. Current Opinion in Structural Biology. 16: 160-165

29. Gherardi E, Sandin S, Petoukhov MV, Finch J, Youles ME, Ofverstedt L-G, Miguel RN, Blundell TL, Vande Woude GF, Skoglund U, Svergun DI (2006) Structural basis of hepatocyte growth factorscatter factor and MET signalling. Proc Natl Acad Sci USA 103:4046–4051

30. Dore, A.S., Furnham, N., Davies, O.R., Sibanda, B.L., Chirgadze, D.Y., Jackson, S.P., Pellegrini, L., and Blundell, T.L. (2006). Structure of an Xrcc4-DNA ligase IV yeast ortholog complex reveals a novel BRCT interaction mode. DNA Repair (Amst) 5, 362-368.

31. Miguel RN, Chen S, Nikfarjam L, Kominami S, Carpenter B, Pra CD, Betterle C, Zanchetta R, Nakamatsu T, Powell M, Hewer R, Blundell TL, Smith BR, and Furmaniak J (2005) Analysis of the interaction between human steroid 21-hydroxylase and various monoclonal antibodies using comparative structural modelling. European Journal of Endocrinology 153, 949-961.

32. Montalvao RW, Smith RE, Lovell SC, Blundell TL. (2005) CHORAL: a differential geometry approach to the prediction of the cores of protein structures Bioinformatics 2005, 21(19):3719-3725

33. Robinson CJ, Harmer NJ, Goodger SJ, Blundell TL, Gallagher JT. (2005) Cooperative dimerization of fibroblast growth factor 1 (FGF1) upon a single heparin saccharide may drive the formation of 2 : 2 : 1 FGF1:FGFR2c:heparin ternary complexes. J Biol Chem 2005, 280(51):42274-42282

34. Chelliah V, Blundell TL and Mizuguchi K (2005) Functional Restraints on the Patterns of Amino Acid Substitutions: Application to Sequence–Structure Homology Recognition. Structure, Function, and Bioinformatics 61: 722-731.

35. Bolanos-Garcia VM, Beaufils S, Renault A, Grossmann JG, Brewerton S, Lee M, Venkitaraman A, Blundell TL (2005) The Conserved N-Terminal Region of the Mitotic Checkpoint Protein BUBR1: A Putative TPR Motif of High Surface Activity. Biophys J. 89, 2640-9.

36. Miguel RN, Sanders J, Blundell TL, Smith BR, Furmaniak J. (2005) Comparative modeling of the thyrotropin receptor Thyroid 2005, 15(7):746-747

37. Chelliah V and Blundell TL (2005). Quantifying structural and functional restraints on amino acid substitutions in evolution of proteins. Biochemistry (Moscow). 70, 835-840.

38. Carafoli F, Chirgadze DY, Blundell TL & Gherardi E (2005) Crystal Structure of theChain of Hgfl/Msp. FEBS Journal 272 (2005) 5799–5807

39. Lobley, C. M., Ciulli, A., Whitney, H. M., Williams, G., Smith, A. G., Abell, C., and Blundell, T. L. (2005). The Crystal Structure of Escherichia coli Ketopantoate Reductase with NADP+ Bound. Biochemistry 44, 8930-8939.

40. Coxon KM, Chakauya E, Ottenhof HH, Whitney HM, Blundell TL, Abell C, Smith AG. (2005) Pantothenate biosynthesis in higher plants. Biochem Soc Trans 2005, 33(Pt 4):743-746

41. Cubellis MV, Caillez F, Blundell TL, Lovell SC. (2005) Properties of polyproline II, a secondary structure element implicated in protein-protein interactions. Proteins 2005, 58(4):880-892

42. DePristo M, de Bakker PIW, Johnson RJK & Blundell TL (2005) Crystallographic Refinement by Knowledge-Based Exploration of Complex Energy Landscapes. Structure, 13, 1311–1319

43. Congreve M, Murray CW and Blundell TL (2005) Structural Biology and Drug Discovery. Drug Discovery Today 10, 895-907

44. Gore S, Burke DF and Blundell TL (2005) PROVAT: A tool for Voronoi Tesellation Analysis of Macromolecular structures. Bioinformatics 21(15):3316-7

45. Ehebauer MT, Chirgadze DY, Arias AM, Hayward P & Blundell TL (2005) High-resolution crystal structure of the human Notch 1 ankyrin domain. Biochem. J. 392, 13-20

46. Blundell TL (2005). New Strategies for structure-guided design of AIDS antivirals. Progress in Biophysics and Molecular Biology. 88 191-192.

47. Blundell TL. (2005) The developing art of protein crystallisation: new advances from improved knowledge automaton and miniaturisation. Progress in Biophysics and Molecular Biology 88 283-284.

48. Harmer NJ, Sivak JM, Amaya E, Blundell TL (2005) Crystal structure of the X. tropicalis Spred1 EVH1 domain suggests a fourth distinct peptide-binding mechanism within the EVH1 family A. FEBS Letters 579, 1161–1166

49. Messenger NJ, Kabitschke C, Andrews R, Grimmer D, Núñez Miguel R, Blundell TL, Smith JC, Fiona C. Wardle (2005) Functional Specificity of the Xenopus T-Domain Protein Brachyury Is Conferred by Its Ability to Interact with Smad1. Developmental Cell 8, 1–12. 1.15 A ˚

50. Chelliah V, Chen L, Blundell TL, Lovell SC (2004) Distinguishing Structural and Functional Restraints in Evolution in Order to Identify Interaction Sites. J. Mol. Biol. 342, 1487-504

51. Sanders J, Jeffreys J, Depraetere H, Evans M, Richards T, Kiddie A, Brereton K, Premawardhana LDKE, Chirgadze DY, Nunez Miguel R, Blundell TL, Furmaniak J and Rees Smith B. (2004) Characteristics of a human monoclonal autoantibody to the thyrotropin receptor: sequence structure and function. Thyroid 14(8), 560-570.

52. Bertrand L, Sayed MFR, Pei X-Y, Parisini E, Dhanaraj V, Bolanos-Garcia VM, Allende JE, Blundell TL (2004) Structure of the regulatory subunit of CK2 in the presence of a p21WAF1 peptide shows the flexibility of the acidic loop. Acta Cryst. D 60, 1698-1704.

53. Harmer NJ, Pellegrini L, Chirgadze D, Fernandez-Recio J, Blundell TL (2004) The crystal structure of fibroblast growth factor (FGF) 19 reveals novel features of the FGF family and offers a structural basis for its unusual receptor affinity. Biochemistry 43, 629-40.

54. Harmer NJ, Ilag LL, Mulloy B, Pellegrini L, Robinson CV, Blundell TL (2004). Towards a resolution of the stoichiometry of the fibroblast growth factor (FGF)-FGF receptor-heparin complex. Journal of Molecular Biology 339, 821-34

55. Blundell TL, Patel S (2004) High-throughput X-ray crystallography for drug discovery. Current Opinion in Pharmacology. 4, 490-496

56. González B, Pajares MA, Martínez-Ripoll M, Blundell TL and Sanz-Aparicio J. (2004) Crystal structure of rat liver betaine homocysteine s-methyltransferase reveals new oligomerization features and conformational changes upon substrate binding. Journal of Molecular Biology. 338 771-782

57. DePristo MA, De Bakker PI, Blundell TL (2004) Heterogeneity and inaccuracy in protein structures solved by x-ray crystallography. Structure (Camb) 12, 831-8

58. Badasso MO, Dhanaraj V, Wood SP, Cooper JB and Blundell TL (2004) Crystallization and X-ray analysis of the Y75N mutant of Mucor pusillus pepsin complexed with inhibitor. Acta Cryst. (2004). D60, 770–772

59. Brewerton SC, Dore AS, Drake AC, Leuther KK, Blundell TL. (2004) Structural analysis of DNA-PKcs: modelling of the repeat units and insights into the detailed molecular architecture. J Struct Biol. 145, 295-306

60. Ottenhof HA, Ashurst JA, Whitney HM, Saldanha A, Schmitzberger F, Gweon HS, Blundell TL, Abell C and Smith AG (2003) Organisation of the pantothenate (vitamin B5) biosynthesis pathway in higher plants. The Plant Journal 37, 61-72

61. Schmitzberger F, Kilkenny ML, Lobley CM, Webb ME, Vinkovic M, Matak-Vinkovic D, Witty M, Chirgadze DY, Smith AG, Abell C and Blundell TL (2003) The EMBO Journal 22, 6193-6204.

62. Lo T, Pellegrini L, Venkitaraman AR and Blundell TL. (2003) Sequence fingerprints in BRCA2 and RAD51: implications for DNA repair and cancer. DNA Repair 2. 1015-1028

63. Deane, C and Blundell, T (2003). Protein Comparative modelling and drug discovery. The Practice of Medicinal Chemistry. 27, 445-458.

64. Owen D, Lowe PN, Nietlispach D, Brosnan CE, Chirgadze DY, Parker PJ, Blundell TL, Mott HR (2003) Molecular dissection of the interaction between the small G proteins Rac1 and RhoA and Protein Kinase C Related Kinase 1 (PRK1). J. Biol. Chem. 278: 50578 - 50587

65. Gherardi E, Youles MY, Miguel RN, Blundell TL, Iamele L, Gough J, Bandyopadhyay A, Hartmann G, Butler JG (2003) Functional map and domain structure of the MET, the product of the c- met protooncogene and receptor for hepatocyte growth factor scatter factor, receptor. Proc. Natl. Acad. Sci (USA) 100, 12039-12044

66. Miguel, R.N., Sanders, J., Jeffreys, J., Depraetere, H., Blundell, T., Furmaniak and J., Rees Smith, B (2003). Thyrotropin Receptor Clevage Domain and Tissue Inhibitor Thyroid, 13, 665-666.

67. von Delft F, Inoue T, Saldanha SA, Ottenhof HH, Schmitzberger F, Birch LM, Dhanaraj V, Witty M, Smith AG, Blundell TL, Abell C. (2003) "Structure of E. coli Ketopantoate Hydroxymethyl Transferase Complexed with Ketopantoate and Mg(2+), Solved by Locating 160 Selenomethionine Sites." Structure 11, 985-96.

68. Schmitzberger F, Smith AG, Abell CA, and Blundell TL (2003) Comparative Analysis of the E. coli Ketopantoate Hydroxymethyltransferase Crystal Structure Confirms that It Is a Member of the ()8 Phosphoenolpyruvate/Pyruvate Superfamily. J. Bacteriol. 185, 4163–4171

69. Yu DS, Sonoda E, Takeda S, Huang CLH, Pellegrini L, Blundell TL and Venkitaraman AR (2003) Dynamic control of RAD51 in the nucleus of living cells by self-association and interaction with BRCA2. Mol Cell. 12, 1029-1041.

70. Evans PC, Smith TS, Lai MJ, Williams MG, Burke DF, Heyninck K, Kreike MM, Beyaert R, Blundell TL, Kilshaw PJ. (2003) J Biol Chem. 278(25):23180-6.

71. Vinayagam A, Sh J, PugalenthiG, Meenakshi B, Blundell TL and Sowdhamini R (2003) DBASE2.0: updated domain database with improved methods for the identification of structural domains. BIOINFORMATICS 19, 1–6.

72. Shin DS, Pellegrini L, Daniels D, Yelent B, Craig L, Tsurata H, Yu D, Hitomi C, Arvai AS, Blundell TL, Venkitaraman AR and Tainer JA (2003) Full-length archaeal Rad51 structure and mutants: mechanisms for RAD51 assembly and control by BRCA2. EMBO J. 2003 22 4566-76

73. DePristo MA, de Bakker PIW, Lovell SC, Blundell TL (2003) Ab Initio Construction of Polypeptide Fragments: Efficient Generation of Accurate, Representative Ensembles. PROTEINS: Structure, Function, and Genetics 51, 41–55

74. M.A. DePristo, P.I.W. de Bakker, R.P. Shetty, T.L. Blundell (2003) Discrete restraint-based protein modeling and the Cα-trace problem. Protein Science. 12: 2032-2046

75. De Bakker PIW, DePristo MA, Burke DF, Blundell TL (2003) Ab Initio Construction of Polypeptide Fragments: Accuracy of Loop Decoy Discrimination by an All-Atom Statistical Potential and the AMBER Force Field With the Generalized Born Solvation Model. PROTEINS: Structure, Function, and Genetics 51, 21–40.

76. R.P. Shetty, P.I.W. de Bakker, M.A. DePristo, T.L. Blundell (2003) Advantages of finegrained side chain conformer libraries. Protein Engineering. 16: 963-969

77. Patel S, Martinez-Ripoll M, Blundell TL and Albert A (2002) Structural Enzymology of Li + sensitive/MG2 dependent Phosphatases. J. Mol. Biol. 320, 1087-1094.

78. Pomes A, Chapman MD, Vailes LD, Blundell TL and Dhanaraj V (2002) Cockroach Allergen Bla g 2 Structure, Function, and Implications for Allergic Sensitization. Am J Respir Crit Care Med 165, 391-397.

79. Gonzalez B, Pajares MA, Too H-P, Garrido F, Blundell TL and Sanz-Aparicio J (2002) Betaine-homocysteine S-methyltransferase is one of the three. Crystallization and preliminary X-ray study of recombinant betaine-homocysteine S-methyltransferase from rat liver. Acta Cryst. (2002). D 58, 1507-1510.

80. Pellegrini L, Yu DS, Lo T, Anand S, Lee M, Blundell TL, Venkitaraman AR (2002) Insights into DNA recombination from the structure of a RAD51-BRCA2 complex. Nature 420, 287-293

81. Blundell TL, Abell C, Cleasby A, Hartshorn MJ, Tickle IJ, Parasini E and Jhoti. (2002) High-throughput X-ray crystallography for drug discovery. Drug Design, Cutting Edge Approaches. Ed Darren Flower. Royal Society Chemistry, 53- 59.

82. Pellegrini L, Burke DF and Blundell TL (2002) Activation mechanism of fibroblast growth factor receptor tyrosine kinase revealed by crystal structure of fibroblast growth factor receptor ectodomain bound to fibroblast growth factor and heparin. In Insulin and related proteins structure to function and pharmacology. 189-200.

83. Harmer NJ, Chirgadze D, Kim K-H, Pellegrini L, Blundell TL (2002) The structural biology of growth factor receptor activation. Biophysical Chemistry 100, 545 – 553

84. Watanabe K, Chirgadze DY, Lietha D, de Jonge H, Blundell TL and Gherardi E (2002). A new crystal form of the NK1 splice variant of HGF/SF demonstrates extensive hinge movement and suggests that the NK1 dimer originates by domain swapping. J.Mol.Biol 319, 283-288.

85. Williams MG, Shirai H, Shi J, Nagendra HG, Mueller J, Mizuguchi K, Miguel RN, Lovell SC, Innis CA, Deane CM, Chen L, Campillo N, Burke DF, Blundell TL and Bakker PIW (2001) Sequence-structure homology recognition by iterative alignment refinement and comparative modelling. Proteins 45(5), 92-97.

86. Blundell, T.L., Bolanos-Garcia, V., Chirgadze, D.Y., Harmer, N.J., Lo, T., Pellegrini, L., Sibanda, L.B. (2002) Asymmetry in the multiprotein systems of molecular biology (2002) Structural Chemistry 13 (3-4), 405-412.

87. Patel S, Blundell TL (2002) Crystal Structure of an Enzyme Displaying both Inositol-Polyphosphate 1-Phosphatase and 3’-Phosphoadenosine-5’-Phosphate Phosphatase Activities: A Novel Target for Lithium Therapy. J. Mol. Biol. 315, 677-686.

88. Blundell, T.L., Jhoti, H. and Abell, C. (2002). High-Throughput crystallography for lead discovery in drug design. Nature Reviews Drug Discovery. 1, 45-54.

89. Martinez-Martin M, Siddle K and Blundell TL. (2001). The use of structural genomics and protein superfamilies in drug discovery: prediction that the binding site of the insulin receptor ectodomain lies at the concave face of A -helix. Royal Society Chemistry Medicinal Chemistry, into the millennium. 25-31.

90. Himpel S, Panzer P, Eirmbter K, Czajkowska H, Sayed M, Packman LC, Blundell TL, Kentrup H, Grotzinger J, Joost H-G, Becker W (2001) Identification of the autophosphorylation sites and characterisation of their effects in the protein kinase DYRK1A Biochem. J. 359, 497-505.

91. Matak-Vinkovic, D., Vinkovic, M., Saldanha S.A., Ashurst, J.L., von Delft, F., Inoue, T., Nunez Miguel, R., Smith, A.G., Blundell, T.L. and Abell, C. (2001) Crystal structure of Escherichia coli ketopantoate reductase at 1.7Å resolution and insight into the enzyme mechanism. Biochemistry 2001, 14493-14500.

92. Martin-Martinez, M., Blundell, T.L., Burke, D., Dhanaraj, V., Mizuguchi, K., Molina, F., Sayed, M., Shi, J., Sibanda, L.B. and Williams, M. (2001) Genomics, Protein Superfamilies and Drug Discovery. “Medicinal Chemistry Into the Millennium” Editors: M.M. Campbell and I.S. Blagbrough, Royal Society of Chemsitry Special Publication, 264, pp 266-282.

93. Nagendra, H.G., Harrington, A.E., Harmer, N.J., Pellegrini, L., Blundell, T.L. and Burke, D.F. (2001). Sequence analyses and comparative modeling of fly and worm fibroblast growth factor receptors indicate that the determinants for FGF and heparin binding are retained in evolution. FEBS Letters 501, 51-58.

94. Leitha D, Chirgadze DY, Mulloy B, Blundell TL, Gherardi E (2001) Crystal structures of NK1 heparin complexes reveal the basis for NK1 activity and enable engineering of potent agonists and the MET receptor. EMBO J. 20, 5543-5555

95. Sibanda BL, Critchlow†S, Begun J, Pei XY, Jackson SP, Blundell TL, Pellegrini L (2001) Insight into the mechanism of DNA end joining from the structure of an Xrcc4 dimer in complex with DNA ligase IV. Nature Structural Biology 8, 1015-1019

96. De Bakker P, Bateman A, Burke DF, Miguel RN, Mizuguchi K, Shi J, Shirai H, Blundell TL, (2001) HOMSTRAD: adding sequence information to structure-based alignments of homologous protein families. BIOINFOMATICS 17, 748-749.

97. Shirai H, Shi J, Blundell TL, Mizuguchi K (2001) Structural Bioinformatics as an Approach to Genomics-based Drug Discovery Global Outsourcing Review 3, 48-53

98. Mendes J, Nagarajaram H, Soares CM, Blundell TL, and Carrondo MA (2001) Incorporating Knowledge-based Biases into an Energy-based Side-chain Modelling Method: Application to Comparative Modelling of Protein Structure. Biopolymers 59, 72-86.

99. Shi J, Blundell TL, and Mizuguchi K (2001) FUGUE: Sequence-structure Homology Recognition Using Environment-specific Substitution Tables and Structure-dependent Gap Penalties. J. Mol. Biol. 310, 243-257.

100. Deane CM, Kaas Q and Blundell TL (2001) SCORE: predicting the core of protein models. BIOINFOMATICS 17, 541-550.

101. Carvin D., Islam SA, Sternberg M., Blundell TL (2001) The preparation of heavy-atom derivatives of protein crystals for use in multiple isomorphous replacement and anomalous scattering. International tables for Crystallography, Volume F. Crystallography of Biological macromolecules. Dordrecht: Kluwer Academic publishers. Editors: Rossmann MG and Arnold E.pp 247- 262

102. Shirai H, Blundell TL, & Mizuguchi K (2001) A novel family of enzymes that catalyse the modification of guanidine groups. Trends Biochem. Sci. 26, 465-468.

103. von Delft F, Lewendon A, Dhanaraj V, Blundell TL, Abell C & Smith A (2001) The crystal structure of E. coli Pantothenate Synthase confirms it as a member of the cytidyltransferase superfamily. Structure 9, 439-450.

104. Deane CM, and Blundell TL (2001) CODA: A combined algorithm for predicting the structurally variable regions of protein models. Protein Science 10, 599-612.

105. Blundell TL, Burke DF, Chirgadze D, Dhanaraj D, Hyvonen M, Innis A, Parisini E, Pellegrini L, Sayed M and Sibanda BL (2000). Protein-protein interactions in receptor activation and intracellular signalling. Biol. Chem. 381, 955-959.

106. Blundell TL and Mizuguchi K (2000) Structural genomics: an overview. Prog. Biophys. Molec. Biol. 73, 289-295.

107. Pellegrini L., Burke D.F., von Delft F., Mulloy B., Blundell TL (2000) Crystal Structure of fibroblast growth factor receptor ectodomain bound to ligand and heparin. Nature 407, 1029-1034

108. Innis CA, Shi JY, & Blundell TL (2000) Evolutionary trace analysis of TGF- and related growth factors: implications for site directed mutagenesis. Prot. Eng. 13, 839-847.

109. Mizuguchi K and Blundell TL (2000) Analysis of conservation and substitutions of secondary structure elements within protein superfamilies. Bioinformatics 16, 1111-1119.

110. Albert A, Yenush L, Gil-Mascarell MR, Rodriguez PL, Patel S, Martinez-Ripoll M, Blundell TL, Serrano R (2000) X-ray structure of yeast Hal2p, a major target of lithium and sodium toxicity and identification of framework interactions determining cation sensitivity. Journal of Molecular Biology 295, 927-938.

111. Albert A, Blundell TL, Dhanaraj V, Donate LE, Groves M, Guruprasad K, Nugent PG, Orprayoon P, Pitts JE, Rufino S, Srinivasan N, Williams M and Wilsher J (2000) Site-directed mutagensis, biochemical characterisation, and X-ray analysis of chymosins with substituted single amino acid substitutions and loop replacements. Aspartic Proteinases. 23, 169-177.

112. Deane, CM and Blundell TL (2000) Examination of the Less favoured Regions of the Ramachandran plot. Indian Academy of Sciences. 16 196-208

113. M. O. Badasso, J. A. Read, V. Dhanaraj, J. B. Cooper, S. P. Wood, T. L. Blundell, T. Dreyer, and J. Winther. (2000) Purification, co-crystallization and preliminary X-ray analysis of the natural aspartic proteinase inhibitor IA3 complexed with saccharopepsin from saccharomyces cerevisiae. Acta Cryst. D, 56, 915-917

114. Burke DF, Deane CM and Blundell TL (2000) Browsing the SLoop database of structurally classified loops connecting elements of protein secondary structure. Bioinformatics: 16, 513-519.

115. Deane CM, and Blundell TL (2000) A novel exhaustive search algorithm for predicting the conformation of polypeptide segments in proteins. Proteins: Structure, Function and Genetics. 40, 135-144.

116. Deane, C. M., Allen, F. H., Taylor, R. & Blundell, T. L. (1999). Carbonyl-carbonyl interactions stabilize the partially allowed Ramachandran conformations of asparagine and aspartic acid. Protein Eng 12(12), 1025-8

117. Walker AR, Davison PA, Bolognesi-Winfield AC, James CM, Srinivasan N, Blundell TL, Esch JJ, Marks MD and Gray JC (1999) The transparent testa glabra1 locus, which regulates trichome differentiation and anthocyanin biosynthesis in arabidopsis, encodes a WD40 repeat protein. The Plant Cell. 11, 1337-1349.

118. Marino-Buslje C, Martin-Martinez M, Mizuguchi K, Siddle K and Blundell TL (1999) The insulin receptor: from protein sequence to structure. Biochemical Society Transactions 27. 715-726.

119. Mizuguchi K, Dhanaraj V, Blundell TL and Murzin AG (1999) N-ethylmaleimide-sensitive fusion protein (NSF) and CDC48 confirmed as members of the double-psi -barrel aspartate decarboxylase/formate dehydrogenase family. Structure 7, R215-R216.

120. Burke DF, Deane CM, Nagarajaram HA, Campillo N, Martin-Martinez M, Mendes J, Molina F, Perry J, Reddy BVB, Soares CM, Steward RE, Williams M, Carrondo MA, Blundell TL, Mizuguchi K. (1999) An Iterative structure-assisted approach to sequence alignment and comparative modeling. Proteins, Structure, Function, and Genetics Suppl. 3, 1-6.

121. G. Pavlovsky, M. G. Williams, Q. Z. Ye, D. F. Ortwine, C. F. Purchase, 2nd, A. D. White, V. Dhanaraj, B. D. Roth, L. L. Johnson, D. Hupe, C. Humblet, and T. L. Blundell. (1999) X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity. Protein Sci. 8, 1455-1462

122. Arias CA, Martin-Martinez M, Blundell TL, Arthur M, Courvalin P, Reynolds PE (1999) Characterization and modelling of VanT: a novel membrane-bound, serine racemase from vancomycin-resistant Enterococcus gallinarum BM4174. Molecular Microbiology. 31 no 6, 1653-1664.

123. Reddy BVB, Nagarajaram HA, Blundell TL (1999) Analysis of interactive packing of secondary structural elements in / units in proteins. Protein Science. 8, 573-586.

124. Srinivasan N, Antonelli M, Jacob G, Korn I, Romero F, Jedlicki A, Dhanaraj V, Sayed M F-R, Blundell TL, Allende CC, Allende JE (1999) Structural interpretation of site-directed mutagenesis and specificity of the catalytic subunit of protein kinase CK2 using comparative modelling. Protein Engineering. 12, 119-127.

125. Korn I, Gutkind S, Srinivasan N, Blundell TL, Allende CC, Allende JE (1999) Interactions of protein kinase CK2 subunits. Molecular and Cellular Biochemistry. 191, 75-83.

126. Chirgadze, D.Y., Hepple, J.P., Zhou, H., Byrd, R.A., Blundell, T.L. & Gherardi, E. (1999). Crystal structure of the NK1 fragment of HGF/SF suggests a novel mode for growth factor dimerization and receptor binding . Nature Structural Biology 6, 72-79.

127. Castillo, R.M., Mizuguchi, K., Dhanaraj, V., Albert, A., Blundell, T.L. & Murzin, A.G. (1999). A six-stranded double-psi  barrel is shared by several protein superfamilies. Structure 7, 1-11.

128. Nagarajaram H, Reddy BVB and Blundell TL (1999) Analysis and prediction of inter-strand packing distances between -sheets of globular proteins Protein engineering 12, 1055-1062

129. Groves, M.R., Dhanaraj, V., Badasso, M., Nugent, P., Pitts, J.E., Hoover, D.J. & Blundell, T.L. (1998). A 2.3 Å resolution structure of chymosin complexed with a reduced bond inhibitor shows that the active site -hairpin flap is rearranged when compared with the native crystal structure. Protein Engineering 11, 833-840.

130. Rodionov, M.A. & Blundell, T.L. (1998). Sequence and structure conservation in a protein core. Proteins 33, 358-366.

131. Snook, C.F., Woolley, G.A., Oliva, G., Pattabhi, V., Wood, S.P., Blundell, T.L. & Wallace, B.A. (1998) The structure and function of antiamoebin 1, a proline-rich membrane-active polypeptide. Structure 6, 783-792.

132. Marino-Buslje, C., Mizuguchi, K., Siddle, K., Blundell, T. (1998). A third fibronectin type III domain in the extracellular region of the insulin receptor family. FEBS Letters 441, 331-336.

133. Sowdhamini, R., Burke, D.F., Deane, C., Huang, J-F., Mizuguchi, K., Nagarajaram, H.A., Overington, J.P., Srinivasan, N., Steward, R.E. & Blundell, T.L. (1998). Protein three-dimensional structural databases: domains, structurally aligned homologues and superfamilies. Acta Cryst D54, 1168-1177.

134. Pellegrini L, Commander P, Mulloy B, Martin-Martinez M, Blundell TL, Burke DF (1998) The role of heparin in the complex formation between fibroblast growth factor 2 and its high affinity receptor: comparative modelling and biochemical studies. Biochemical Soc. Trans 26, 545-549.

135. Islam, S.A.., Carvin, D., Sternberg, M.J.E. & Blundell, T.L. (1998). HAD, a data bank of heavy-atom binding sites in protein crystals: A resource for use in multiple isomorphous replacement and anomalous scattering. Acta Cryst D54, 1199-1206.

136. Mizuguchi, K., Deane, C.M., Blundell, T.L., Johnson, M.S. & Overington, J.P. (1998). JOY: protein sequence-structure representation and analysis. BIOINFORMATICS 14, 617-623.

137. Mizuguchi, K., Deane, C.M., Blundell, T.L. and Overington, J.P. (1998) HOMSTRAD: A database of protein structure alignments for homologous families. Protein Science 7, 2469-2471.

138. Mizuguchi, K., Parker, J.S., Blundell, T.L. & Gay, N.J. (1998). Getting Knotted: a model for the structure and activation of Spatzle. TIBS 23, 239-242.

139. Sowdhamini, R., Burke, D., Huang, J-F., Mizuguchi, K., Nagarajaram, H.A., Srinivasan, N., Steward, R.E and Blundell, T.L. (1998). CAMPASS: A Database Of Structurally Aligned Protein Superfamilies. Structure 6, 1087-1094.

140. Chirgadze, DY., Hepple, J., Byrd, RA., Sowdhamini, R., Blundell, TL and Gherardi, E. (1998) Insights into the structure of hepatocyte growth factor/scatter factor (HGF/SF) and implications for receptor activation. FEBS Letters 430: 126-129

141. Brotherton, DH., Dhanaraj, V., Wick, S., Brizuela, L., Domaille, PJ., Voyanik, E., Xu, X., Parisini, E., Smith, OB., Archer, SJ., Serrano, M., Brenner, SL., Blundell, TL. and Laue, ED. (1998) Crystal structure of the complex of the cyclin D-dependent kinase Cdk6 bound to the cell cycle inhibitor p19INK4d. Nature 395, 244-250

142. Loew, A., Ho Y-K., Blundell, TL. and Bax (1998) Phosducin induces a structural change in transducin . Structure 6, 1007-1019

143. Cordeiro M, Lowther T, Dunn BM, Guruprasad K, Blundell TL, Pais MS, Brodelius PE (1998) Substrate specificity and molecular modelling of aspartic proteinases (Cyprosins) from flowers of Cynara cardunculus subsp. flavescens cv. Cardoon Advances In Experimental Medicine And Biology 436, 473-479.

144. Domingos A, Xue ZT, Guruprasad K, Clemente A, Blundell TL, Pais MS, Brodelius PE (1998) An aspartic proteinase from flowers of Centaurea calcitrapa - Purification, characterization, molecular cloning, and modelling of its three-dimensional structure. Advances In Experimental Medicine And Biology 436, 465-472.

145. Blundell, TL., Guruprasad, K., Albert, A., Williams, M., Sibanda, BL and Dhanaraj, V. (1998) The Aspartic Proteinases: an historical overview. Advances In Experimental Medicine And Biology 436, 1-13.

146. Olsen, V., Guruprasad, K., Cawley, NX., Chen, HC., Blundell, TL and Loh, P. (1998) Cleavage efficiency of the novel aspartic proteinase yapsin 1 (Yap3p) enhanced for substrates with arginine residues flanking the P1 sites: correlation with electronegative active-site pockets predicted by molecular modelling. Boichemistry 37: 2768-2777.

147. Albert, A., Dhanaraj, V.,Genschel, U., Khan, G., Ramjee, MK., Pulido, R., Sibanda, BL., von Delft, F., Witty, M., Blundell, TL., Smith, AG and Abel, C. (1998) Crystal structure of aspartate decarboxylase at 2.2Å resolution provides evidence for an ester in protein self-processing. Nature Structural Biology 5(4): 289-293.

148. Burke, D., Wilkes, D., Blundell, TL. and Malcolm, S. (1998) Fibroblast growth factor receptors: lessons from the genes. TIBS 23, 59-62.

149. Williams, MG., Wilsher, J., Nugent, P., Mills, A., Dhanaraj, V., Fabry, M., Sedlácek, J., Uusitalo, JM., Penttila, ME., Pitts, J. and Blundell, TL. (1997) Mutagenesis, biochemical characterization and X-ray structural analysis of point mutants of bovine chymosin. Protein Engineering 10, 991-997

150. Bax, B., Blundell, TL., Murray-Rust, J. and McDonald N.Q. (1997) Structure of mouse 7S NGF: a complex of nerve growth factor with four binding proteins. Structure. 5: 1275-1285.

151. Gherardi, E., Hartmann, G., Hepple, J., Chirgadze, D.Y., Srinivasan, N. and Blundell, T.L. (1997) Domain structure of hepatocyte growth factor/scatter factor (HGF/SF) Ciba Found. Symp. 212, 84-93.

152. Rufino, SD., Donate, LE., Canard, LHJ. and Blundell, TL. (1997) Predicting the conformational class of short and medium size loops connecting regular secondary structures: Application to comparative modelling. J.Mol.Biol. 267, 352-367.

153. Aguilar, C.F., Badasso, M., Dreyer, T., Cronin, N.B., Newman, M.P., Cooper, J.B., Hoover, D.J., Wood, S.P., Johnson, M.S. and Blundell, T.L. (1997) The 3-D structure at 2.4Å resolution of glycosylated proteinase A from the lysosome-like vacuole of Saccharomyces cereviseae. J.Mol.Biol. 4, 899-915.

154. Topham, C.M., Srinivasan, N. and Blundell, T.L. Prediction of the stability of protein mutants based on structural environment-dependent amino acid substitution and propensity tables. (1997) Protein Engineering.10: 7-21.

155. Blundell, T.L., Guruprasad, K., Albert, Armando., Williams, M., Sibanda, B.L. and Dhanaraj, D. Aspartic proteinases: From the first X-ray photos of pepsin crystals to hundreds of 3-D structures. (1997) Current Science. 72: 483-489.

156. Donate, L.E., Rufino, S.D., Canard, L.H.J. and Blundell, T.L.* (1996) Conformational analysis and clustering of short and medium size loops connecting regular secondary structures: A database for modelling and prediction. Protein Science. 5, 2600-2616.

157. Aguilar, CF, Badasso M, Dreyer T, Cronin NB, Newman MP, Cooper, JB, Hoover D.J., Wood, S.P., Johnson, M.S. and Blundell, T.L. The three-dimensional structure at 2.4Å resolution of glycosylated proteinase A from the lysosome-like vacuole of Saccharomyces cereviseae. 1997 J.Mol.Biol. 4, 899-915.

158. Srinivasan N & Blundell TL (1996) Insights on the structures of functional modules in protein kinase C family. Molecular Biology Intelligence Units (eds. PJ Parker & LV Dekker)

159. Blundell TL (1996). Structure-based drug design. 1996 Nature. 384S: 23-26

160. Louie GV, Brownlie PD, Lambert R, Cooper JB, Blundell TL, Wood SP, Malashkevich N, Hadener A, Warren M & Jordan PM. The 3-D Structure of Escherichia coli PBDG deaminase at 1.76A resolution. (1996) Proteins 25, 48-78

161. Blundell TL and Srinivasan N. Symmetry, stability, and dynamics of multidomain and multicomponent protein systems. (1996) Proc. Natl. Acad. Sci. USA. 93. 233-241

162. Srinivasan N, Guruprasad K, and Blundell TL (1996) Comparative modelling of proteins in Protein Structure Prediction ed: M.J.E. Sternberg. Oxford University Press. Oxford 111-138

163. Dhanaraj V, Ye Q-Z, Johnson LL, Hupe DJ, Ortwine F, Dunbar JB, Rubin JR, Pavlosvsky A, Humblet C & Blundell TL (1996) Designing inhibitors of the metalloproteinase superfamily: comparative analysis of representative structures. Drug Design and Discovery 13: 3-14

164. Zhu Z-Y & Blundell TL (1996) The use of amino acid patterns of classified helices and strands in secondary structure prediction. J. Mol. Biol. 2: 261-276

165. Sowdhamini R, Rufino S & Blundell TL (1996) A database of globular protein structural domains: clustering of representative family members into similar folds. Folding and Design 1, 209-220

166. Srinivasan N, Rufino SD, Pepys MB, Wood SP and Blundell TL (1996) Lectin fold: Yesterday, today and tomorrow. ChemTracts - Biochemistry and Molecular Biology 6: 149-164

167. Dhanaraj V, Ye Q-Z, Johnson LL, Hupe DJ, Ortwine DF, Dunbar JB, Rubin JR, Pavlovsky A, Humblet C and Blundell TL (1996) X-ray structure of a hydroxamate inhibitor complex of stromelysin catalytic domain and its comparison with members of the zinc metalloproteinase superfamily. Structure 4: 375-386

168. Guruprasad K, Blundell TL, Xie S, Green J, Szafransk B, Nagel RJ, McDowell K, Baker CB & Roberts RM (1996) Comparative modelling and analysis of amino acid substitutions suggests that the family of pregnancy-related glycoproteins includes both active and inactive aspartic proteinases. Protein Engineering 9: 849-856

169. Srinivasan N, Waterfield MD and Blundell TL (1996) Comparative analysis of the regions binding by-subunits in Ga and PH domains. Biochem.Biophys.Res. Communications 220: 697-702

170. Nugent PG, Albert A, Oprayoon P, Wilsher J, Pitts JE, Blundell TL and Dhanaraj V (1996) Protein engineering loops in aspartic proteinases: site-directed mutagenesis, biochemical characterisation and X-ray analysis of chymosin with a replaced loop from rhizopuspepsin. Protein Engineering 9: 885-893.

171. Srinivasan N, Bax B, Blundell TL & Parker PJ. (1996) Structural aspects of the functional modules in human protein kinase-Ca deduced from comparative analyses. Proteins; Structure, Function and Genetics 26: 217-235.

172. Introna M, Alles VV, Castellano M, Picardi G, Degioia L, Bottazzi B, Srinivasan N, Blundell TL, Hamilton TA & Mantovani A. (1996) Cloning of mouse PTX3, a new member of the prentraxin gene family expressed at extrahepatic sites. Blood 87: 1862-1872

173. Blundell TL & Zhu Z-Y (1995) The -helix as seen from the protein tertiary structure: a 3-D structural classification. Biophysical Chemistry 55: 167-184

174. Patthy L & Blundell TL (1995) Sequences and Topology (Editorial Overview) Current Opinion in Structural Biology 1: 1-3

175. Sowdhamini R, Rufino SD & Blundell TL (1995) The construction and uses of protein domain topologies and templates. Chem Tracts 5: 291-306

176. Guruprasad L, Dhanaraj V, Timm D, Blundell TL, Gout I and Waterfield M D (1995) The crystal structure of the N-terminal SH3 domain of Grb2. J. Mol. Biol. 248: 856-866

177. Rao-Naik C, Guruprasad G, Batley B, Rapundalo S, Hill J, Blundell TL, Kay J and Dunn BM (1995) Exploring the Binding Preferences/specificity in the Active site of Human Cathepsin E. Proteins 22:168-181

178. Sowdhamini R, Srinivasan N, Guruprasad K, Rufino S, Dhanaraj V, Wood SP, Emsley J, White HE & Blundell TL (1995) Protein 3-D structure and molecular recognition: a story of soft locks and keys. Pharmaceutica Acta Helvetiae. 69:185-192

179. Aguilar CF, Dhanaraj V, Guruprasad K, Dealwis C, Badasso M, Cooper JB, Wood SP and Blundell TL (1995) Comparisons of the 3-D structures, specificities and glycosylation of renins, yeast proteinase A and cathepsin D. Aspartic Proteinases: Structure, Function, Biology, and Biomedical Implications. Ed. K Takahashi, Plenum Press p155-165

180. Dhanaraj V, Pitts J, Nugent P, Orprayoon P, Cooper JB, Blundell TL, Uusitalo J and Pentilla M (1995) Protein Engineering of surface loops: Preliminary X-ray analysis of the CHY155-156RHI mutant. Aspartic Proteinases: Structure, Function, Biology, and Biomedical Implications. Ed. K Takahashi, Plenum Press p95-99

181. Rufino R, Srinivasan N, Sowdhamini R, Murray-Rust J, Donate LE, May ACW, Guruprasad K, Dhanaraj V, Sibanda BL and Blundell TL (1995) Structure-based design of proteins: learning from evolution by comparative analyses of protein families. Perspectives in Protein engineering and Complimentary Technologies. Ed: MJ G & Roger Epton Mayflower Worldwide Ltd 1-8

182. Guruprasad K, Dhanaraj V, Groves M and Blundell TL (1995) Aspartic proteinases: The structure and functions of a versatile superfamily of enzymes. Supplement to Journal of computer-aided molecular design 2:329-341

183. Sowdhamini R, Rufino SD and Blundell TL (1995) The construction and use of protein domain topologies and templates. Chemstracs 5:291-306

184. Guruprasad K, Dhanaraj V, Groves M & Blundell TL (1995) Aspartic proteinases: The structure and functions of a versatile superfamily of enzymes. Prospectives in Drug Discovery & Design Pub ESCOM

185. Timm D, Guruprasad L, Bax B & Blundell TL (1995) Protein three-dimensional structure and drug design: some examples from intracellular components of the signal transduction pathway. European Journal of Medicinal Chemistry 30:605s-620s Ed: Jean-Claude Muller. Publisher: Elsevier

186. Guruprasad L, Dhanaraj V, Timm D, Blundell TL, Gout I and Waterfield M D (1995) The crystal structure of the N-terminal SH3 domain of Grb2. JMB 248:856-866

187. Sowdhamini R and Blundell TL (1995) An Automatic method involving cluster analysis of secondary structures for the identification of domains in proteins. Protein Science 4:506-521

188. McDonald NQ, Murray-Rust J and Blundell TL (1994) The first structure of a receptor tyrosine kinase domain: a further step in understanding the molecular basis of insulin action. Structure (1995) 3:1-6

189. Donate LE, Gherardi E, Srinivasan N, Sowdhamini R, Aparicio S and Blundell TL (1994) Molecular evolution and domain structure of plasminogen-related growth factors. Protein Science 3:2378-2394

190. Bradshaw RA, Murray-Rust J, Ibanez CF, McDonald NQ, Lapatto R and Blundell TL (1994) NGF: structure/function relationships. Protein Science 3:1901-1913

191. Brownlie P, Lambert R, Louie GV, Jordan PM, Blundell TL, Warren MJ, Cooper JB & Wood SP (1994) The 3D structures of mutants of PBDG: towards understanding of the structural basis of acute intermittent porphyria. Protein Science 3:1644-1650

192. Timm D, Kamran S, Gout I, Guruprasad L, Waterfield M & Blundell TL (1994) Crystal Structure of the pleckstrin homology domain from dynamin. Natural Structural Biology 1:782-788

193. Srinivasan N, White HE, Emsley J, Wood SP, Pepys MB and Blundell TL (1994) Comparative analyses of pentraxins: implications for protomer assembly and ligand binding. Structure 2:1017-1027

194. Narasimha L, Singh J, Humblet C, Guruprasad K & Blundell TL (1994) Snail and spider toxins share a similar teritary structure and 'cystine motif'. Structural Biology.1:850-852

195. Donnelly D, Findlay JBC & Blundell TL (1994) The evolution and structure of Aminergic G protein-coupled receptors. Receptors and Channels. 3:61-78

196. Whittle PJ & Blundell TL (1994) Protein Structure-Based Drug Design. Ann.Rev.Biophys.Biomol.Struct.23:349-375

197. Guruprasad K, Tormakangas K, Kerniven J & Blundell, TL (1994) Comparative modelling of barley-grain aspartic proteinase: a structural rationale for observed hydrolytic specificity. FEBS letters 352:131-136

198. Sali A & Blundell TL (1994) Comparative protein modelling by satisfaction of spatial restraints. Protein Structure by Distance Analysis. Ed:H Bohr & s Brunak. IOS Press

199. Blundell TL (1994) Realising our potential from the science base: Technology interaction and the food industry in the UK. Trends in Food Science & Technology 5:101-104

200. Lambert R, Brownlie PD, Woodcock SC, Louie GV, Cooper JC, Warren MJ, Jordan PM, Blundell TL & Wood SP (1994) Structural Studies on porphobilinogen deaminase. Ciba Foundation Symposium 180 Ed Wiley, Chichester. p97-110.

201. Blundell, TL. (1994) Problems and solutions in protein engineering - towards rational design. Trends in Biotechnology. 12:145-148

202. May AC, Johnson MJ, Rufino SD, Wako H, Zhu Z-y, Sowdhamini R, Srinivasan N,Rodionov MA & Blundell TL (1994) The recognition of protein structure and function form sequence: adding value to genome data Phil.Soc.R.Soc.Lond.B. 344:373-381

203. Pitts JE, Dhanaraj V, Dealwis CG, Mantafounis D, Nugent P, Oprayoon P, Cooper JB, Newman N & Blundell TL (1994) Multidiscipinary cycles for protein engineering: site-directed mutagenesis and X-ray structural studies of aspartic proteinases. J.Scnd.Clin.Biochem. 321-330

204. Newman RH, Carpenter E, Freemont PS, Blundell TL and Parker P (1994) Microcrystals of B1 isozyme of protein kinase C: an electron microscopy study. Biochemical Journal 298: 391-393

205. Dhanaraj V, Nugent P, Pitts JE, Cooper JB & Blundell TL. (1994) Structure-based design of enzymes. Proceedings of the 6th European Congress on Biotechnology, Florence, Italy. Ed: L Alberghina, L Frontali, P Sensi. Elsevier Science BV.

206. Donnelly D, Overington JP & Blundell TL (1994) The prediction and orientation of a-helices from sequence alignments: the combined use of environment-dependent substitution tables, Fourier transform methods and helix capping rules. Prot.Eng. 7:645-653258.

207. Frazao C, Topham C, Dhanaraj V and Blundell TL (1994) Comparative modelling of human renin: a retrospective evaluation of the model with respect to the X-ray crystal structure. Pure & Appl.Chem. 66:43-50.

208. Rufino SD and Blundell TL (1994) Structure-based identification and clustering of protein families and superfamilies. J. of Computer-Aided Molecular Design 8:5-27

209. Dealwis CG, Frazao C, Badasso M, Cooper JB, Tickle IJ, Driessen H, Blundell TL, Murakami K, Miyazaki H, Sueiras-Diaz J, Jones DM and Szelke (1994) X-ray analysis at 2.0Å resolution of mouse submaxillary renin complexed with a decapeptide inhibitor CH-66, based on the 4-16 fragment of rat angiotensinogen. JMB 236:342-360.

210. Edwards Y, Johnson M, Moss DS and Blundell TL (1994) The effects of local environments on the pattern of amino acid substitution in homologous protein structure: the role of side-chain to main-chain van Der Waals interactions. Techniques in Protein Chemistry V: Protein Society. Academic Press Inc p405-411

211. Johnson M S, Srinivasan N, Sowdhamini R and Blundell TL (1994) Knowledge-based protein modeling. Critical Reviews in Biochemistry and Molecular Biology CRC Press 29:1-70

212. Blundell TL (1994) Metalloproteinase super-families and drug design. Nature Structural Biology 1:73-75

213. Emsley J, White HE, O'Hara BP, Oliva G, Srinivasan N, Tickle IJ, Blundell TL, Pepys MB & Wood SP (1994) The 3D structure of pentameric human serum amyloid P component defined at 2Å resolution reveals a lectin-like fold and calcium-mediated ligand binding. Nature 367:338-249.

214. Wako H and Blundell TL (1994) Use of amino acid environment-dependent substitution tables and conformational propensities in structure prediction from aligned sequences of homologous proteins; Paper II. Secondary structures. JMB 238:693-708

215. Wako H and Blundell TL (1994) Use of amino acid environment-dependent substitution tables and conformational propensities in structure prediction from aligned sequences of homologous proteins Paper I. Solvent accessibility classes. JMB 238:682-692

216. Johnson MS, Blundell TL. Sequence patterns that characterise protein families with a common fold. (1993) Methods in Protein Sequence Analysis. Ed: K Imahori & F Sakiyama, Plenum Press, NY pp 245-251

217. Blundell, T.L, Ruffle, S.V, Donnelly, D and Nugent J.H.A. A three-dimensional model of the Photosystem II reaction centre of Pisum sativum. (1993) Photosynthesis Research 34:287-300

218. Dhanaraj V, Dealwis C, Bailey D, Cooper JB and Blundell TL. The 3-D structures of inhibitor complexes of monomeric aspartic proteinases. (1993) Ed: Francesc X Avilés, Innovations in Proteases and their Inhibitors. Pub: Walter de Gruyter, Berlin, New York 1993 141-159

219. Blundell, T.L. Structural Biology and diabetes mellitus: Molecular pathogenesis and rational drug design. (1993) Diabetologia. 35: S69-S76

220. Blundell, TL. (1993) New scientific opportunities for a sustainable agriculture. J.Roy.Ag.Soc.Eng. 154:19-28

221. Murray-Rust J, McDonald NQ, Blundell TL, Hosang M, Oefner C, Winkler F & Bradshaw RA. Topological similarities in TGF-ß2, PDGF-BB and NGF define a superfamily of polypeptide growth factors. Structure Current Biology(1993) 1:153-159

222. Overington JP, Zhu Z-Y, Sali A, Johnson MS, Sowdhamini R, Louie GV & Blundell TL. (1993) Molecular recognition in protein families: A database of aligned three-dimensional structures of related proteins. Biochemical Society Transactions, 597-604

223. Blundell TL. (1993) Structural correlations of families of homologous proteins. In "Structure Correlation" Ed: Bürgi H and Dunitz J: pp1-7

224. Sali A & Blundell TL. (1993) Comparative modelling by satisfaction of spatial restraints. J. Mol. Biol. 234: 779-815

225. Reddy BVB & Blundell TL. Packing of Secondary Structural Elements in Proteins: Analysis and Prediction of Inter-Helix Distances. JMB (1993) 233:464-479

226. Doolittle RF & Blundell TL. Sequence and topology unit and diversity all over again. Current Opinion in Structural Biology (1993) 3:377-378

227. Najmudin S, Nalini V, Driessen H, Slingsby C, Blundell TL, Moss D S and Lindley P F. (1993) Structure of the Bovine eye Lens Protein gammaB(gammaII)-Crystallin at 1.47Å. Acta Cryst. D49: 223-233

228. Blundell TL and Johnson MS (1993) Catching a Common Fold. Protein Science 2:877-883

229. Scarborough PE, Gurprasad K, Topham C, Richo GR, Conner GE, Blundell TL and Dunn BM Exploration of subsite binding specificity of human cathepsin D through kinetics and rule-based molecular binding. Protein Science 2:264-276

230. Badasso M, Wood SP, Aguilar C, Cooper JB, Blundell TL & Dreyer T (1993) Crystallization and crystallographic characterisation of aspartic proteinase-A from Baker's yeast and its complexes with inhibitors JMB 232:701-703

231. Aguilar CF, Newman MP, Sanz Aparicio J, Cooper JB, Tickle IJ & Blundell TL (1993) The use of protein homologues in the rotation function. Acta Cryst. A49:306-315

232. Topham CM, McLeod A, Eisenmenger F, Overington JP, Johnson MS & Blundell TL (1993) Fragment Ranking in Modelling Protein Structure. JMB 229:194-220

233. Bradshaw R, Blundell TL, Lapatto R, McDonald NQ & Murray-Rust J (1993) Nerve Growth Factor Revisted. TIBS 18:48-52

234. Bailey D, Cooper JB, Veerapandian B & Blundell TL (1993) X-ray crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin. Biochemistry Journal 289: 363-371

235. Hoffrén, AM, Saloheimo M, Thomas P, Overington J, Johnson MS, Knowles JKC & Blundell TL (1993) Modelling of the lignin peroxidase LIII of Phlebia radiata: Use of sequence template generated from a three-dimensional structure. Protein Engineering 6:177-182

236. N Srinivasan & Blundell TL (1993) An evaluation of the performance of an automated procedure for comparative modelling of protein tertiary structure. Protein Engineering 6:501-512

237. Donnelly D, Overington J, Ruffle S, Nugent J & Blundell TL (1993) Modelling a-helical transmembrane domains: the calculation and use of substitution tables for lipid-facing residues. Protein Science 2:55-70

238. Newman N, Watson F, Roychowdhury P, Jones H, Badasso M, Cleasby A, Wood SP, Tickle IJ, Blundell TL (1993) X-ray analyses of aspartic proteinases V: structure and refinement at 2.0Å resolution of the aspartic proteinase from mucor pusillus. Journal Molecular Biology. 230:260-283

239. Johnson M, Overington J & Blundell TL (1993) Alignment and searching for common protein folds using a Data Bank of structural templates. JMB 231:735-752

240. Ruffle SV, Donnelly D, Blundell TL, Nugent JHA (1992) A three-dimensional model of the photosystem-II reaction centre of pisumsativum. Photosynthesis Research 34:287-300

241. Ibanez CF, Ebendal T, Barbany G, Murray-Rust J, Blundell TL (1992) Disruption of the low affinity receptor-binding site of NGF allows neuronal survival and differentiation by binding to the trk gene product. Cell 69: 329-341

242. Panayotou G, Bax B, Gout I, Federwisch M, Wroblowski B, Dhand R, Fry MJ, Blundell TL, Wollmer A and Waterfield MD (1992) Interactions of the p85 subunit of PI 3-kinase and N-terminal SH2 with a PDGF receptor phosphorylation site: structural features and analysis of conformational changes. EMBO Journal 11: 4261-4272

243. Cooper J, Blundell TL, Quail W, Frazao C, Foundling S I, Humblet C, Lunney EA, Lowther WT, & Dunn BM (1992) X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors. Biochemistry 31:8142-8150.

244. Blundell TL, Hubbard R, Weiss MA (1992) Structural biology and diabetes mellitus: molecular pathogenesis and rational drug design. Diabetologia 35:S69-S76

245. Louie GV, Brownlie PD, Lambert R, Cooper JB, Blundell, TL, Wood SP (1992) Structure of porphobilinogen deaminase reveals a flexible multidomain polymerase with a single catalytic site, Nature 359: 33-39

246. Dhanaraj, V, Dealwis C, Frazao C, Badasso M, Sibanda L, Tickle IJ, Cooper JB, Newman M, Aguilar C, Wood SP, Blundell TL, Hobart PM, Geoghegan KF, Ammirati MJ, Danley DE, O'Connor BA and Hoover DJ (1992) Molecular recognition and drug design: the structural basis of specificity and human and mouse renins defined by X-ray analyses of peptide inhibitor complexes. Molecular Recognition RSC volume Special publications No 111

247. Jordan PM, Warren MJ, Mgbeje BIA, Wood SP, Cooper JB, Louie G, Brownlie P, Lambert R and Blundell Tl (1992) Crystallization and preliminary X-ray investigation of Escherichia coli porphobilinogen deaminase. J.Mol.Biol. 224:269-271

248. Dhanaraj V, Dealwis C, Frazao C, Badasso M, Sibanda BL, Tickle IJ, Cooper JB, Driessen HPC, Newman M, Aguilar C, Wood SP, Blundell TL, Hobart PM, Geoghegan K, Ammirati MJ, Danley DE, O'Connor BA and Hoover DJ. (1992) X-ray analyses of peptide inhibitor complexes define the structural basis of specificity for human and mouse renins. Nature 357:466-472

249. Blundell TL (1992). Patterns of sequence and 3-D structure variation in families of homologous proteins: Lessons for tertiary templates and comparative modelling. Patterns of Proteins Sequence and Structure. 7:189-205

250. Blundell TL and Doolittle R (1992) Sequence and topology-an inverse approach to the old folding problem. Current Opinion in Structural Biology 2:381-383

251. Murray-Rust J, McLeod A, Blundell TL and Wood SP (1992) Structure and evolution of insulins: implications for receptor binding. Bioessays 14:1-7

252. Sali A, Veerapandian B, Cooper JB, Moss DS, Hofmann T and Blundell TL (1992) Domain flexibility in aspartic proteinases. Proteins 12: 158-170.

253. Overington J, Donnelly, D, Johnson M S, Sali A, Blundell TL (1992) Environment-specific amino acid substitution tables: Tertiary templates and prediction of protein folds Protein Science. 2, 216-226.

254. Veerapandian B, Cooper J B, Sali A, Blundell, T L, Rosati RL, Dominy BW, Damon DB and Hoover, D. J. (1992) Direct observation by X-ray analysis of the tetrahedral 'Intermediate' of aspartic proteinases. Protein Science 1:322-328

255. Blundell TL, Cooper JB, Sali A and Zhu ZZ (1992) Comparisons of the sequences, 3-D structures and mechanisms of pepsin-like and retroviral aspartic proteinases. Advances in Experimental Medicine and Biology 306:443-453

256. Badasso M, Frazao, C, Sibanda, BL, Dhanaraj V, DeAlwis C, Cooper J B, Wood SP, Blundell TL, Murakami K, Miyazaki H, Hobart PM, Geoghegan K F, Ammirati M J, Lanzetti A J, Danley D E, O'Connor BA, Hoover DJ, Sueiras-Diaz J, Jones DM and Szelke M (1992) Crystallization and preliminary X-ray analysis of complexes of peptide inhibitors with human recombinant and mouse submandibular renins. J.Mol.Biol 223: 447-453

257. Lunney EA, Humblet CC, Repine JT, Blundell TL, Cooper JB and Sibanda BL (1991) Molecular Modelling of renin Inhibitor P2 substituents. Ibid. p274-281

258. Hoover DJ, Veerapandian B, Cooper J, Damon DB, Dominy BW, Rosati RL and Blundell TL (1991) X-ray analysis of a difluorostatone renin inhibitor bound as the tetrahedral hydrate to the aspartic protease endothiapepsin. Structure & Function of the Aspartic Proteinases. Wd:BM Dunn, Plenum Press, NY. p269-273

259. Hoffran A, Saloheimo M, Thomas P, Overington J, Johnson MS, Blundell TL (1991) Modelling the lignin peroxidase L111 of phlebia radiata using a knowledge-based approach. J.Chim.Phys; 88: 2659-2662

260. Aguilar C, Bailey D, Badasso M, Blundell T L, Dhanaraj V, Dealwis C, Hemmings H, Frazao C, Newman M, Sali A, Tickle IJ, Wilderspin A and Wood SP (1991) New Insights into cellular and viral proteinase structures and the design of inhibitors. Workshop on Innovations of Proteases & their Inhibitors. 266, 21

261. Carvin D, Suhail A I, Sternberg M J E and Blundell TL (1991) Establishment of a heavy-atom databank for protein structures Proceedings of the CCP4 Meeting, Daresbury Laboratory, UK, 150-162

262. Newman M, Safro M, Frazao C, Khan G, Zdanov A, Tickle IJ, Blundell TL and Andreeva N (1991) X-ray analyses of aspartic proteinases IV: Structure and refinement at 2.2Å resolution of bovine chymosin. J. Mol. Biol. 222: 1295-1309

263. Blundell TL (1991) Comparative analysis of protein 3-D structures and an approach to the inverse folding problem. Protein Conformation 161:28-51

264. McDonald N, Lapatto R, Murray-Rust J, Gunning J, Wlodawer A and Blundell TL (1991) New Protein fold revealed by a 2.3Å resolution crystal structure of nerve growth factor. Nature 345: 411-414

265. McDonald NQ and Blundell TL (1991) Crystallization and characterization of the high molecular weight form of Nerve Growth Factor (7S NGF). J. Mol. Biol. 219:595-601

266. Blundell TL, Cooper J, Donnelly D, Driessen H, Edwards Y, Eisenmenger F, Frazao C, Johnson M, Niefind K, Newman M, Overington J, Sali A, Slingsby C, Nalinin V and Zhu ZZ (1991) Patterns of sequence variation in families of homologous proteins. Methods in Proteins Sequence Analysis Jornvall/Hoog/Gustavsson (eds) Birkhauser Verlag Basel.

267. Slingsby C, Bax B, Lapatto R, Bateman OA, Driessen H, Lindley PF, Moss DS, Najmudin, S. and Blundell T L (1991) Molecular interactions of crystallins in relation to optical properties. Presbyopia Research Stark. Plenum Press, New York

268. Slingsby C, Bax B, Lapatto R, Bateman OA, Driessen H, Lindley PF, Moss DS, Najmudin S and Blundell TL (1991) Molecular interactions of crystallins in relation to optical properties. Presbyopia Research: From Molecular Biology to Visual Adaptation, Ed. by G. Obrecht & L. W:41-48. Plenum

269. Lapatto R, Nalini V, Bax B, Driessen H, Lindley P, Blundell TL and Slingsby C. (1991) High resolution structure of an oligomeric eye lens -crystallin. Journal Molecular Biology 222:1067-1083

270. Pitts J, Cooper JB and Blundell TL (1991) Three-dimensional structures and engineering of proteinases for the food industry: modification of specificity, pH optimum and stability. Protein Engineering 106-115

271. Zhu ZZ, Sali A and Blundell TL (1991)A variable gap penalty function and feature weights for protein 3-D structure comparisons. Protein Engineering 5:43-51

272. Hoover DJ, Damon DB, Rosati RL, Dominy BW, Veerapandian B, Cooper JB and Blundell TL (1990)A model for the tetrahedral intermediate in the catalytic mechanism of aspartic proteinases: synthesis of a sub-nanomolar difluorostatone renin inhibitor and X-ray analysis at 2.0Å resolution of its hydrate complexed with endothiapepsin

273. Johnson MS, Sutcliffe MJ and TL Blundell (1990) Molecular anatomy: phyletic relationships derived from three-dimensional structures of proteins. J. of Molecular Evolution 30:43-59

274. Wilderspin A, Gaskin D, Lapatto R, Blundell TL, Hemmings A, Overington J, Pitts J, Wood S, Zhu Z, Pearl L, Danley D, Geoghegan K, Hawrylik S, Lee SE, Shield K, Hobart P, Merson J, Whittle P and Blundell TL (1990) The three-dimensional structure and evolution of HIV-I protease. Retroviral Proteases 79-91

275. Blundell TL, Carney Devon, Hubbard Tim, Johnson Mark J, McLeod Alasdair, Overington John P, Sali Andrej, Sutcliffe Michael J, Thomas Pamela and Blundell TL (1990) Knowledge-based protein modelling and design of novel molecules Proc. of Braunschweig Symposium on Biotechnology

276. Sali A, Veerapandian B, Cooper JB, Moss DS, Hofmann T and T L Blundell (1990) Rigid body movement and conformational differences in aspartic proteinases. Structure and Function of the Aspartic Proteinases 269-273

277. Bax B, Lapatto R, Nalini V, Driessen H, Lindley P, Mahdevan D, and Blundell TL (1990) X-ray analysis of bB2-crystallin and evolution of oligomeric lens proteins and C Slingsby. Nature: 347, 776-780

278. Strop P, Sedlacek J, Stys J, Kaderab-kova Z, Blaha I, Pavlickova L, Pohl J, Fabry M, Kostka V, Newman M, Frazao C, Shearer A, Tickle I J and Blundell TL (1990) Engineering enzyme sub-site specificity: preparation, kinetic characterisation and X-ray analysis at 2.0Å resolution of Val111Phe site-mutated calf chymosin. Biochemistry 29, 9863-9871

279. Topham CM, Thomas P, J P Overington, M S Johnson, F Eisenmenger and T L Blundell) and Blundell TL (1990) An assessment of COMPOSER: a rule-based approach to modelling protein structure Biochem. Soc. Trans. 57, 1-9

280. Sali A, Overington JP, Johnson MS and T L Bl