Publications (050816)
1. R. Huber, D. Kukla, W. Steigemann, J. Deisenhofer, A. Jones (1974)
Structure of the complex formed by bovine trypsin and bovine pancreatictrypsin
inhibitor. Refinement of the crystal structure analysis.
Bayer-Symposium V "Proteinase Inhibitors" 497-512.
2. P.M. Colman, O. Epp, H. Fehlhammer, W. Bode, M. Schiffer, E.E. Lattman, T.A. Jones, W. Palm (1974)
X-ray studies on antibody fragments.
FEBS Letters (1974), 194-199.
3. O.H.W. Martini, R. Temkin, A. Jones, K. Rile, H.J. Gould (1975)
Quantitation of eukaryotic ribosomal proteins separated by two-dimensional
polyacrylamide gel electrophoresis.
FEBS Letters 56, 205-211.
4. S. Neidle & T.A. Jones (1975)
Crystal structure of proflavine, a DNA binding agent.
Nature 253, 284-285.
5. A. Jones & S. Neidle (1975)
The crystal and molecular structure of proflavine hemisulphate hydrate.
Acta Cryst. B31, 1324-1333.
6. P. Schwager, K. Bartels & A. Jones (1975)
Refinement of setting angles in screenless film methods.
J. Appl. Cryst. 8, 275-280.
7. H. Lotter, A. Jonesc & M. Sturm (1977)
Rontgenstrukturanalyse von Mezerin aus Daphne mezereum L.
Z. Naturforsch. 32c, 678-682.
8. H. Wagner, R. Brunig, H. Lotter & A. Jones (1977)
Die Struktur von Cassinin, einem neuen Sesquiterpenalkaloid aus Cassine Meta-belica, Loes.
Tetrahedron Letters 125-128.
9. A. Jones, K. Bartels, P. Schwager (1977)
Refinement of crystal orientation parameters.
in: The Rotation Method in Crystallography. Edited by U.W. Arndt & A.J.Wonacott, North-Holland Publishing Company, Amsterdam/.
10. M. Matsushim, M. Marquardt, T.A. Jones, P.M. Colman, K. Bartels, R. Huber & W. Palm (1978)
Crystal structure of the human FAB fragment Kol and its comparison with the intact Kol molecule
J. Mol. Biol. 121, 441-459.
11. E. Weber, W. Steigemann, T.A. Jones & R. Huber (1978)
The structure of oxy-erythrocruorin at 1.4 Å resolution.
J. Mol. Biol. 120, 327-336.
12. J. Deisenhofer, T.A. Jones, R. Huber, J. Sjodahl & J. Sjöquist (1978)
Crystallization, crystal structure analysis and atomic model of the complex formed by a human Fc fragment and fragment B of the protein A from Staphylococcus aureus.
Hoppe - Seylers's Z. Physiol. Chem. 359, 975-985.
13. T.A. Jones (1978)
A graphics model building and refinement system for macromolecules.
J. Appl. Cryst. 11, 268-272.
14. G. Wiegand, D. Kukla, H. Scholze, T.A. Jones & R. Huber (1979)
Crystal structure analysis of the tetragonal form and preliminary molecular model of pig heart citrate synthase.
Eur. J. Biochem. 93, 41-50.
15. R. Ladenstein, O. Epp, K. Bartels, T.A. Jones, R. Huber & A. Wendel
Structure analysis and molecular model of the selenoenzyme glutathione per-oxidase at 2.8 Å resolution.
J. Mol. Biol. 134, 199-218.
16. M. Spencer, S. Neidle & T.A. Jones (1979)
Crystallisation of tRNA Leu/CUG from Escherichia Coli after purification with hydroxyapatite.
Biochem. and Biophys. Research Communications 86, 66-70.
17. H. Eklund, J-P Samama, L. Wallen, C-I Brändén, Å. Åkeson & T.A. Jones (1981)
Structure of a triclinic ternary complex of horse liver alcohol dehydrogenase at 2.9 Å resolution.
J. Mol. Biol. 146, 561-587.
18. T.A. Jones (1982)
FRODO: a graphics fitting program for macromolecules.
Computational Crystallography (Ed D. Sayre) 303-317.
19. L. Liljas, T. Unge, T.A. Jones, K. Fridborg, S. Lövgren, U. Skoglund & B. Strandberg (1982)
The structure of satellite tobacco necrosis virus at 3.0 Å resolution.
J. Mol. Biol. 159, 93-108.
20. M.G. Rossmann, C. Abad-Zapatero, M.R.N. Murthy, L. Liljas, T.A. Jones & B. Strandberg. (1983)
Structural comparisons of some small spherical plant viruses.
J. Mol. Biol165, 711-736.
21. B.V. Plapp, H. Eklund, T.A. Jones & C-I Brändén. (1983)
Three-dimensional structure of isonicotinimidylated liver alcohol dehydrogenase.
J. Biol. Chem. 258, 5537- 5547.
22. T.A. Jones & L. Liljas. (1984)
Crystallographic refinement of macromolecules having non-crystallographic symmetry.
Acta Cryst A40, 50-57.
23. T.A. Jones & L. Liljas (1984)
Structure of satellite tobacco necrosis virus after crystallographic refinement at 2.5 Å resolution.
J. Mol. Biol. 177, 735-767.
24.M.E. Newcomer, T.A. Jones, J. Åqvist, J. Sundelin, U. Eriksson, L. Rask & P.A Peterson. (1984)
The three-dimensional structure of retinol-binding protein.
EMBO Journal 3, 1451-1454.
25. K.K. Kannan, M. Ramanadham & T.A. Jones (1984)
Structure, refinement and function of carbonic anhydrase isozymes: refinement
of human carbonic anhydrase I.
Annls. New York Academy of Sciences 429, 49-60.
26. H. Eklund, J-P Samama & T.A. Jones (1984)
Crystallographic investigations of nicotinamide adenine dinucleotide binding to horse liver alcohol dehydrogenase.
Biochemistry 23, 5982-5996.
27. T.A. Jones (1985)
Interactive computer graphics: FRODO.
Methods in Enzymology, Enzyme Structure: Diffraction Methods for Biological Macromolecules. 115, 157-171.
28.J. Sundelin, B.C. Laurent, H. Anundi, L. Trägårdh, D. Larhammar, L. Björck, U. Eriksson, B.Åkerström, A. Jones, M. Newcomer, P.A. Peterson &L. Rask (1985)
Amino acid sequence homologies between rabbit, rat and human serum retinol-binding proteins.
J. Biol. Chem. 260, 6472-6480.
29. B. Laurent, M. Nilsson, C. Bavik, T. A. Jones, J. Sundelin & P. Peterson (1985)
Characterization of the rat retinol-binding protein gene and its comparison to the three-dimensional structure of the protein.
J. Biol. Chem. 260, 11476-11480.
30. T.A. Jones & J. Pflugrath (1985)
An introduction to electron density map fitting using FRODO.
Crystallographic Computing 3: Data Collection, Structure Determination, Proteins and Databases 286-294, Oxford University Press.
31. H. Eklund, T.A. Jones & G. Schneider (1986)
Active site in alcohol dehydrogenase.
Zinc Enzymes. Editors: Bertini, I., Luchinut, C., Maret, W. and Zeppezaur, M. Birkhauser Boston, Inc.
32. E.A. Eriksson, T.A. Jones & A. Liljas (1986)
Crystallogrpahic studies of human carbonic anhydrase II (HCA II).
Zinc Enzymes. Editors: Bertini, I., Luchinut, C., Maret, W. and Zeppezaur, M. Birkhauser Boston, Inc.
33. T.A. Jones (1987)
Electron density fitting with computer graphics: a review and a glimpse.
Crystallography in Molecular Biology Ed. D. Moras, J. Drenth, B. Strandberg, D. Suck and K. Wilson, Plenum Press, New York.
34. T.A. Jones & S. Thirup (1986)
Using known substructures in protein model building and crystallography.
EMBO Journal 5, 819-822.
35. P. Sandblom, J. Åqvist, T.A. Jones, M.E. Newcomer, W.F. van Gunsteren & O. Tapia (1986)
Structural changes in retinol binding protein induced by retinol removal. A molecular dynamics study.
Biochem. and Biophys. Res. Comm. 139, 564-570.
36. J. Åqvist, P. Sandblom, T.A. Jones, M.E. Newcomer, W.F. van Gunsteren & O. Tapia. (1986)
Molecular dynamics simulations of the holo- and apo-forms of retinol binding protein. Structural and dynamical changes induced by retinol removal.
J. Mol. Biol. 192, 593-604.
37. M. Papiz, L. Sawyer, E. Elipoulos, A. North, J Findlay, R. Sivaprasadarao, T.A. Jones, M.E. Newcomer & P.J. Kraulis. (1986)
The structure of B-lactoglobulin and its similarity to plasma retinol binding protein.
Nature 324, 383-385.
38. P. Kraulis & T. A. Jones (1987)
Solving solution structural problems by combining 2-D NMR data with known substructues from a protein data base.
Structure, Dynamics and Function of Biomolecules, Ed.: A. Ehrenberg, R. Rigler, A. Gräslund, L. Nilsson. Springer-Verlag, New York.
39. T. Bergfors, J. Sedzik, T. Unge, K. Fridborg, T.A. Jones & J. Weise (1987)
Crystallization of P2 myelin protein.
J. Mol.Biol. 198, 357-358.
40. P.J. Kraulis & T.A. Jones (1987)
Determination of three-dimensional protein structures from NMR data using fragments of known structures.
Proteins: Structure, Function and Genetics 2, 188-201.
41. B. Nilsson, T. Moks, B. Jansson, L. Abrahamsen, A. Elmblad, E. Holmgren, C.
Henrickson, T.A. Jones & M. Uhlen (1987)
A synthetic IgG-binding domain based on staphylococcal protein A.
Protein Engineering 1, 107-113.
42. T.A. Jones, T. Bergfors, J. Sedzik & T. Unge (1988)
The three-dimensional structure of P2 myelin protein.
EMBO J. 7, 1597-1604.
43. E. Eriksson, T.A. Jones & A. Liljas (1988)
Refined structure of human carbonic anhydrase II at 2 Å resolution.
Proteins: Structure, Function, Genetics 4, 274-282.
44. E. Eriksson, P.M. Kylsten. T.A. Jones & A. Liljas (1988)
Inhibitor binding sites in human carbonic anhydrase II: A pentacoordinated binding of the SCN ion to the zinc at high pH.
Proteins: Structure, Function, Genetics 4, 283-293.
45. T.A. Holak, Å. Engström, P.J. Kraulis, G. Lindberg, H. Bennich, T.A. Jones, A.M. Gronenborn & G.M. Clore (1988).
The solution conformation of the antibacterial peptide cercropin A: A nuclear magnetic resonance and dynamical simulated annealing study.
Biochemistry 27, 7620-7629.
46. T.A. Jones, T. Bergfors, J. Sedzik & T. Unge (1988)
The three-dimensional structure of P2 myelin protein.
Zeitschrift für Kristallographie 185, 120.
47. S.W. Cowan, T. Bergfors, T.A. Jones, G. Tibbelin, B. Olin, P.G. Board & B. Mannervik (1989)
Crystallization of GST2, a human class alpha glutathione transferase.
J. Mol. Biol. 208, 369-370.
48. P.J. Kraulis, G.M. Clore, M. Nilges, T.A. Jones, G. Pettersson, J. Knowles & A.M. Gronenborn (1989)
Determination of the three-dimensional solution structure of the C-terminal domain of cellobiohydrolase I from Trichoderma reesei . A study using nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing.
Biochemistry 28, 7241-7257.
49.T.Bergfors, J. Rouvinen, P. Lehtovaara, X. Caldentey, P. Tomme, M. Claeyssens, G. Pettersson, T. Teeri, J. Knowles & T.A. Jones (1989)
Crystallization of the core protein of cellobiohydrolase II from Trichoderma reesei .
J. Mol. Biol. 209, 167-169.
50. C.-I. Brändén & T.A. Jones (1990)
Between objectivity and subjectivity.
Nature 343, 687-689
51. S.W. Cowan, M.E. Newcomer and T.A. Jones (1990)
Crystallographic refinement of human serum retinol binding protein at 2 Å resolution.
Proteins: Structure, Function and Genetics 8, 44-61
52 J. Rouvinen, T. Bergfors, T. Teeri, J.K.C. Knowles & T.A. Jones (1990)
The three dimensional structure of Cellobiohydrolase II from Trichoderma reesei ..
Science 249, 380-386.
53 T.A. Jones, S.W. Cowan, M.E. Newcomer & T. Bergfors (1990)
Crystallographic studies on two families of retinoid binding proteins
Frontiers in drug research, Alfred Benzon Symposium, 28, 267-276. Eds.: B. Jensen, F.S. Jörgensen, H. Kofod, Munksgaard, Copenhagen..
54. T.A. Jones, M. Bergdoll & M. Kjeldgaard (1990)
O: A macromolecular modeling environment.
In: Crystallographic and Modeling Methods in Molecular Design. Eds.: C. Bugg & S. Ealick. Springer-Verlag Press 189-195.
55. T.A. Jones, J-Y. Zou, S.W. Cowan & M. Kjeldgaard (1991)
Improved methods for the building of protein models in electron density maps and the location of errors in these models.
Acta Cryst. A47 110-119.
56. A.Müller-Fahrnow, U.Egner, T.A.Jones, H.Rüdel, F.Spener & W.Saenger (1991)
Three-dimensional structure of fatty-acid-binding protein from bovine heart.
Eur. J. Biochem. 199, 271-276.
57. J.Zhang, Z-P.Liu, T.A.Jones. L.M.Gierasch & J.F.Sambrook (1992)
Mutating the charges residues in the binding pocket of cellular retinoic acid-binding protein simultaneously reduces its binding affinity to retinoic acid and increases its thermostability.
Proteins: Structure, Function and Genetics 13, 87-99.
58. T.Reinikainen, L.Ruohonen, T.Nevanen, L.Laaksonen, P.Kraulis, T.A.Jones, J.K.C.Knowles & T.T.Teeri (1992)
Investigation of the function of mutated cellulose binding domains of Trichoderma Reesei cellobiohydrolase I.
Proteins: Structure, Function and Genetics14, 475-483.
59. T.A. Jones (1992)
a, yaap, asap, @#*? A set of averaging programs.
In Molecular Replacement (Dodson, E.J. ed.) pp. SERC Daresbury Laboratory.
60. T.T. Teeri, T. Reinikainen, L. Ruohonen, T.A. Jones & J.K.C. Knowles (1992)
Domain function in Trichoderma reesei cellobiohydrolases.
J. Biotechnology 24, 169-176.
61. S.W. Cowan, M.E. Newcomer & T.A. Jones. (1993)
Crystallographic studies on a family of cellular lipophilic transport proteins. Refinement of P2 myelin protein and the structure determination and refinement of cellular retinol-binding protein in complex with all- trans -retinol.
J. Mol. Biol. 230, 1225-1246.
62. I. Sinning, G.J. Kleywegt, S.W. Cowan, P. Reinemer, H.W. Dirr, R. Huber, G.L. Gilliland, R.N. Armstrong, X. Ji, P.G. Board, B. Olin & B. Mannervik & T.A. Jones.(1993)
Structure determination and refinement of human alpha class glutathione transferase A1-1.
J. Mol. Biol 232, 192-212.
63. J. Newman, C.-I. Brändén & T.A. Jones. (1993)
Structure determination and refinement of Ribulose 1,5 biophosphate/oxygenase from Synechococcus PCC6301.
Acta Cryst DD 49, 548-560.
64. I. Sinning, G.J. Kleywegt, B. Mannervik, P.G. Board & T.A. Jones. (1993)
The active site in class alpha glutathione transferases.
Structure and Function of Glutathione Transferases (Tew et al., eds.) CRC Press, 75-85
65. B. Mannervik, K. Berhane, R. Björnestedt, P.G. Board, T.A. Jones, R.H. Kolm, B. Olin, I. Sinning, G.E. Sroga, G. Stenberg, S. Tardioli & M. Widersten (1993)
Structural and functional characterization of the binding sites for glutathione (G-site) and the hydrophobic electrophilic substrate (H-site) in glutathione transferases.
Structure and Function of Glutathione Transferases (Tew et al., eds.) CRC Press, 29-38.
66. C.Divne, I.Sinning, J.Ståhlberg, G.Pettersson, M.Bailey, M.Siika-aho, E.Margolles-Clark, T.Teeri & T.A.Jones (1993)
Crystallization and preliminary x-ray studies on the Core protein of Cellobiohydrolase I and Endoglucanase I from Trichoderma reesei.
J.Mol.Biol. 234, 905-907.
67. J.Uppenberg, S.Patkar, T.Bergfors & T.A.Jones. (1994)
Crystallization and preliminary x-ray studies of lipase B from Candida antarctica
J.Mol.Biol. 235, 790-792.
68. G.J. Kleywegt & T.A.Jones. (1994)
Detection, delineation, measurement and display of cavities in macromolecular structures.
Acta Cryst. D 50, 178-185.
69. T.Bergfors, G.J.Kleywegt & T.A.Jones. (1994
Crystallization and preliminary x-ray analysis of recombinant bovine cellular retinoic acid binding protein.
Acta Cryst. D50, 370-374.
70. L. Banaszak, N. Winter, Z. Xu, D.A. Bernlohr, S. Cowan & T.A. Jones. (1994)
Lipid-binding proteins: a family of fatty acid & retinoid transport protein.
Advances in Protein Chemistry 45, 89-151.
71. J.Uppenberg, M.T.Hansen, S.Patkar & T.A.Jones. (1994)
The sequence, crystal structure determination and refinement of two crystal forms of lipase B from Candida antarctica.
Structure 2:4, 293-308.
72. C.Divne, J.Ståhlberg, T.Reinikainen, L.Ruohonen, G.Pettersson, J.K.C. Knowles, T.T.Teeri & T.A.Jones. (1994)
The three-dimensional crystal structure of the catalytic core of cellobiohydrolase I from Trichoderma reesei . Science 265, 524-528.
73. J.Kleywegt, T.Bergfors, H.Senn, P.Le Motte, B.Gsell, K.Shudo & T.A.Jones.(1994) Crystal structures of cellular retinoic acid binding proteins I and II in complex with all- trans -retinoic acid and a synthetic retinoid. Structure 2:12, 1241-1258.
74. G J Kleywegt & T A Jones (1994)
Halloween ... Masks and Bones. “From First Map to Final Model” (S. Bailey, R. Hubbard & D. Waller, Eds.), pp. 59-66,SERC Daresbury Laboratory, Daresbury, U.K..
75. A.D.Cameron, I.Sinning, G.L'Hermite, B.Olin, P.G.Board, B.Mannervik, T.A.Jones (1995)
Structural analysis of human alpha-class glutathione transferase A1-1 in the apo-form and in complexes with ethacrynic acid and its glutathione conjugate.
Structure 3, 717-727.
76. J.Uppenberg, N.Öhrner, M.Norin, K.Hult, G.J.Kleywegt, S.Patkar, V.Waagen, T.Anthonsen, T.A.Jones (1995)
Crystallographic and Molecular-Modeling Studies of Lipase B from Candida antarctica Reveal a Stereospecificity Pocket for Secondary Alcohols.
Biochemistry 34, 16838-16851
77. G J Kleywegt & T A Jones (1995)
Braille for Pugilists,
in “Making the Most of your Model”, (W N Hunter, J M Thornton, & S Bailey, Eds.), pp. 11-24, SERC Daresbury Laboratory, Daresbury, U.K..
78. G J Kleywegt & T A Jones (1995)
Where freedom is given, liberties are taken.
Structure 3, 535-540.
79. A E Sauer-Eriksson, G J Kleywegt, M Uhlén & T A Jones (1995)
Crystal structure of the C2 fragment of streptococcal protein G in complex with the Fc domain of human IgG.
Structure 3, 265-278.
80. R. Björnstedt, G. Stenberg, M. Widersten, P.G. Board, I. Sinning, T.A. Jones & B. Mannervik (1995)
Functional significance of Arginine 15 in the active site of human class alpha glutathione trasferase A1-1,
J. Mol. Biol. 247, 765-773
81. G J Kleywegt, H Hoier & T A Jones (1996)
A re-evaluation of the crystal structure of chloromuconate cycloisomerase,
Acta Cryst. D, 858-863.
82. G J Kleywegt & T A Jones (1996)
xdlMAPMAN and xdlDATAMAN - programs for reformatting, analysis and manipulation of biomacromolecular electron-density maps and reflection datasets.
Acta Cryst. D52, 826-828.
83. G J Kleywegt & T A Jones (1996)
Efficient rebuilding of protein structures.
Acta Cryst. D52,829-832.
84. J.-Y. Zou & T.A. Jones (1996)
Towards the automatic interpretation of macromolecular electron-density maps: qualitative and quantitative matching of protein sequence to map.
Acta Cryst. D52, 833-841
85. A. Koivula, T. Reinikainen, L. Ruohonen, A. Valkeajarvi, M. Claeyssens, O. Teleman, G.J. Kleywegt, M. Szardenings, J. Rouvinen, T.A, Jones & T.Teeri (1996)
The active site of Trichoderma reesei cellobiohydrolase II: the role of tyrosine-169,
Protein Engineering 9, 691-699.
86. J. Ståhlberg, C. Divne, A. Koiula, K. Piens, M. Claeyssens, T.T. Teeri & T.A.Jones (1996)
Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase 1 from Trichoderma reesei
J. Mol. Biol. 264, 337-349
87. G J Kleywegt & T A Jones (1996)
Phi/Psi-chology: Ramachandran revisited
Structure 4, 1395-1400.
88. G J Kleywegt & T A Jones (1997)
Template convolution to enhance or detect structural features in macromolecular electron-density maps
Acta Cryst. D53, 179-185
89. A.D. Cameron, B. Olin, M. Ridderström, B. Mannervik & T.A. Jones (1997)
Crystal structure of human glyoxalase 1 - evidence for gene duplication and 3D swapping
EMBO J. 16, 3386-3395.
90.M. Ridderström, A.D. Cameron, T.A. Jones & B. Mannervik (1997)
Mutagenesis of residue 157 in the active site of human glyoxalase 1.
Biochem. J. 328, in press.
91. T.A.Jones. & M.Kjeldgard (1997)
Electron-Density Map Interpretation.
Methods in Enzymology 277, 173-208.
92. G J Kleywegt & T A Jones (1997)
Detecting folding motifs and similarities in protein structures.
Methods in Enzymology 277, 525-545.
93. G J Kleywegt & T A Jones (1997)
Model-building and refinement practice.
Methods in Enzymology 277, 208-230.
94. G.J. Kleywegt, J-Y. Zou, C. Divne, GJ. Davies, I. Sinning, J. Ståhlberg, T. Reinikainen, M. Srisodsuk, TT. Teeri & TA. Jones (1997)
The crystal structure of the catalytic core domain of endoglucanase 1 from Trichoderma reesei at 3.6Å resolution, and a comparison with related enzymes.
J. Mol. Biol. 272, 383-397.
95. JA. Sigrell, AD. Cameron, TA. Jones & SL. Mowbray (1997)
Purification, characterization and crystallization of Escherichia coli ribokinase.
Protein Sciences 6, 1-3
96. C. Divne, J. Ståhlberg, A. Koiula, K. Piens, M. Claeyssens, T.T. Teeri & T.A.Jones (1998)
High-resolution crystal structures reveal how a cellulose chain is bound in the 50Å long tunnel of cellobiohydrolase 1 from Trichoderma reesei.
J. Mol. Biol. 275, 309-325.
97. JA. Sigrell, AD. Cameron, TA. Jones & SL. Mowbray (1998)
Structure of Escherichia coli ribokinase in complex with ribose and dinucleotide determined to 1.8 Å resolution: insights into a new family of kinase structures.
Structure 6, 183-193.
98. A. Koivula, T. Kinnari, V. Harjunpaa, A. Teleman, T. Drakenberg, J. Rouvinen, T.A.Jones, & T.T. Teeri (1998)
Tryptophan 272: essential determinant of crystalline cellulose degradation by Trichoderma reesei cellobiohydrolase Cel6A
FEBS Letters 429, 3411-346
99. G.J. Kleywegt & T.A. Jones (1998)
Databases in Protein Crystallography
Acta Cryst. D54 1119-1131
100. B. Mannervik, A.D. Cameron, E. Fernandez, A. Gustafsson, L.O. Hansson, P. Jemth, F. Jiang, T.A. Jones, A-K. Larsson, L.O. Nilsson, B. Olin, P.L. Pettersson, M. Ridderström, G. Stenberg, M. Widersten (1998)
An evolutionary approach to the design of glutathione-linked enzymes
Chemico-Biological Interactions 111-112, 15-21.
101. M.Ridderström, A.D. Cameron, T.A.Jones, B.Mannervik
Involvement of an active-site Zn2+ ligand in the catalytic mechanism of human glyoxalase I (1998)
J. Biol. Chem. 273, 21623-8
102. L.F. Mackenzie, G. Sulzenbacher, C. Divne, T.A. Jones, H.F. Woldikes, M. Schulein, S.G. Withers, G.J. Davies (1998)
Crystal structure of the family 7 endoglucanase 1 (Cel7b) from Humicola insolens at 2.2 A resolution and identification of the catalytic nucleophile by trapping of the covalent glycosyl-enzyme intermediate
Biochem. J. 335, 409-416
103. G.J. Kleywegt & T.A. Jones (1999)
Software for handling macromolecular envelopes
Acta Cryst. D55 942-944.
104. B.N. Chauduri, G.J. Kleywegt, J. Bjorkman, L.D. Lehman-McKeeman, J.D. Oliver, T.A. Jones (1999)
The crystal structure of a2u-globulin and its complex with a hyaline droplet inducer
Acta Crys.t D55 753-762
105. J. Zou, G.J. Kleywegt, J. Stahlberg, H. Driguez, W. Nerinckx, M. Claeyssens, A. Koivula, T.T. Teeri, T.A. Jones (1999)
Crystallographic evidence for substrate ring distortion and protein conformaitonal changes during catalysis in cellobiohydrolase Cel6A from Trichodema reesei
Structure 7, 1035-1045
106. B. N. Chaudhuri, J. Ko, C. Park, T.A. Jones, S.L. Mowbray (1999)
Structure of D-allose binding protein from Escherichia coli bound to D-allose at 1.8 Å resolution
J. Mol. Biol. 286, 1519-1531.
107. T.A. Jones & G.J. Kleywegt (1999)
CASP3 Comparative modelling evaluation
Proteins: Structure, Function, and Genetics Suppl. 3, 30-46
108. B.N. Chaudhuri, G.J. Kleywegt, I. Broutin-L’Hermite, T. Bergfors, H. Senn, P/ Le Motte, O. Partouche & T.A. Jones (1999)
Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids
Acta cryst. D55, 1850-1857
109. S.L. Mowbray, C. Helgstrand, J.A. Sigrell, A.D. Cameron& T.A. Jones (1999)
Errors and reproducibility in electron-density map interpretation
Acta cryst. D55, 1309-1319
110. J. Zou, B.M. Hallberg, T. Bergfors, F. Oesch, M. Arand, S.L. Mowbray & T.A. Jones (2000)
Structure of Aspergillus niger epoxide hydrolase at 1.8 Å resolution: implications for the structure and function of the mammalian microsomal class of epoxide hydrolases
Structure 8, 111-122
111. E E Abola, A Bairoch, W C Barker, S Beck, D A Benson, H Berman, C Cantor, S Doubet, T J P Hubbard, T A Jones, G J Kleywegt, A S Kolaskar, A van Kuik, A M Lesk, H W Mewes, D Neuhaus, F Pfeiffer, L F Ten Eyck, R J Simpson, G Stoesser, J L Sussman, Y Tateno, A Tsugita, E L Ulrich and J F G Vliegenthart (2000).
Quality control in databanks for molecular biology.
BioEssays 22, 1024-1034
112. J. Ståhlberg, H. Henricksson, C. Divne, R. Isaksson, G. Pettersson, G. Johansson & T.A. Jones. (2001)
Structural basis for enantiomer binding and separation of a common β -blocker: crystal structure of cellobiohydrolase Cel7A with bound (S)-propranolol at 1.9 Å resolution
J. Mol. Biol 305, 79-93
113. G.J. Kleywegt, J. Zou, M. Kjeldgaard & T.A. Jones (2001)
Around O
International Tables for Crystallography Volume F, Chapter 25.2.6
114. M. Sandgren, A. Shaw, TH Ropp, S. Wu, R. Bott, AD Cameron, J. Ståhlberg, C. Mitchinson & TA Jones (2001).
The x-ray crystal structure of the Trichoderma reesei family 12 endoglucanse 3, Cel12A, at 1.9 Å resolution.
J. Mol. Biol. 308, 295-310
115. M. Harris T.A. Jones (2001).
Molray- a web interface between O and the POV-Ray ray tracer.
Acta Cryst. D57, 1201-1203
116. DMF van Aalten, KG Milne, JY Zou, GJ Kleywegt, T. Bergfors, MAJ Ferguson, J. Knudsen & T.A. Jones (2001).
Binding site differences revealed by crystal structures of Plamodium falciparum and bovine acyl-CoA binding protein.
J. Mol. Biol. 309, 181-192
117. D. Becker, C.Braet, H. Brumer, M. Claeyssens, C. Divne, BR Fagerstron, M. Harris, TA. Jones, GJ. Kleywegt, A. Koivula, S. Mahdi, K. piens, ML Sinnot, J. Stlåhlberg, TT. Teeri, M. Underwood, G. Wolfhart (2001).
Engineering of a glycosidase Family 7 cellobiohytdrolase to a more alkaline pH optimum: the pH behaviour of Trichoderma reesei Cel7A and irs E223S/ A224H/ L225V/ T226A/ D262G mutant.
Biochem. J. 356, 19-30
118. T.A. Jones (2001)
Electron density map interpretation
In ‘Methods in Macromolecular Crystallography’, Editors D. Turk & L. Johnson, IOS Press.
119. AM. Larsson, J. Ståhlberg & TA. Jones (2002)
Preparation and crystallization of selenomethionyl dextranase from Penicillium minioluteum expressed in Pichia pastoris .
Acta Crystallographica D58, 346-348.
120. GJ Kleywegt & TA. Jones (2002)
Homo Crystallographicus- Quo Vardis?
Structure 10, 465-472.
121. U. Magnusson, B.N. Chaudhuri, J. Ko, C. Park, T.A. Jones & SL. Mowbray (2002)
Hinge-bending motion of D-allose binding protein from Escherichia coli : three open conformations
J. Biol. Chem. 277 , 14077-14084
122. A. Koivula, L. Ruohonen, G. Wohlfart, T. Reinikainen, TT Teeri, K. Piens, M.Claeyssens, M. Weber, A. Vasella, D, Becker, ML. Sinnot, J. Zou, GJ. Kleywegt, M. Szardenings, J. Ståhlberg & TA. Jones (2002)
The active site of cellobiohydrolase Cel6A from Trichoderma reesei : the roles of aspartic acids D221 and D175
J. American Chemical Society, 124, 10015-10024.
123. A Lartigue, V Campanacci, A Roussel, AM Larsson, TA Jones, M Tegoni & C Cambillau (2002)
X-ray structure and ligand binding study of a moth chemosensory protein
J. Biol. Chem. 277, 32094-32098.
124. M. Harris & TA Jones (2002)
Xtrack – a web based crystallographic notebook
Acta Crystallographica D58, 1889-1891.
125. Arand, M., Hallberg, B.M., Zou, J., Bergfors, T., Oesch, F., van der Werf, M.J., de Bont, J.A.M., Jones, T.A. and Mowbray,S.L. (2003)
Structure of Rhodococcus erythropolis limonene-1,2-epoxide hydrolase reveals a novel active site
EMBO J. 22, 2583-2592
126. Sandgren, M., Guafetti, P.J., Shaw, A., Day, A.G., Gross, L., Saldajeno, M., Jones,T.A. & Mitchinson, C. (2003)
Comparison of family 12 glucosyl hydrolases and recruitment of substitutions important for stability
Protein Science 12, 848-860
127. Lartigue, A., Campanacci, V. , Roussel, A., Larsson, A.M., Hallberg, B.M., Jones, T.A., Tegoni, M. & Cambillau, C. (2003)
An x-ray structure and ligand binding study of a chemosensory protein (CSP) from the moth
Mamestra brassicae
PNAS 100, 5069-5074
128. (2003)
Crystallization and preliminary X-ray analysis of a xyloglucan endotransglycosylase from Populus tremula x tremuloides
Acta Crystallographica D59, 535-537.
129. Sandgren, M., Gualfetti, P.J., Paech, C., Paech, S., Shaw, A., Gross, L.S., Saldajeno, M., Berglund, G.I., Jones, T.A. & Mitchinson, C. (2003)
The Humicloa grisea Cel12A enzyme structure at 1.2 Å resolution and the impact of its free cysteine residues on thermal stability
Protein Science 12, 2782-2793
130. Larsson, A.M., Andersson, R., Ståhlberg, J., Kenne, L. and Jones. T.A. (2003)
Dextranase from Penicillium minioluteum : reaction course, crystal structure and product complex
Structure 11, 1111-1121
131. Arand, M., Cronin, A., Oesch, F., Mowbray, S. L. & Jones, T. A. (2003). The telltale structures of epoxide hydrolases. Drug Metab Rev 35 , 365-83.
132. Roos, A. K., Andersson, C. E., Bergfors, T., Jacobsson, M., Karlén, M., Unge, T., Jones, T. A., and Mowbray, S. L. (2004)
Mycobacterium tuberculosis Ribose-5-phosphate Isomerase has a known fold, but a novel active site.
J. Mol. Biol. 335, 799-809.
133. Patrik Johansson, Harry Brumer III, Martin J. Baumann, Åsa Kallas, Hongbin Henriksson, Stuart Denman, Tuula T. Teeri and T. Alwyn Jones (2004)
Crystal structures of a xyloglucan endotransglycosylase reveal details of the transglycosylation acceptor binding
Plant Cell 16, 874-876.
134. T.A. Jones (2004) Interactive electron-density map interpretation: from INTER to O
Acta Crystallographica D60, 2115-2125.
135. G.J Kleywegt, M.R. Harris, J. Zou, T.C. Taylor & T.A. Jones (2004)
The Uppsala Electron Density Server (EDS)-
Acta Crystallographica D60, 2240-2249.
136. Anna M. Larsson and T. Alwyn Jones (2005) Selenomethionine Labeling of Recombinant Proteins, accepted for publication
137. Adrian Suarez Covarrubias, Anna M. Larsson, Martin Högbom, Jimmy Lindberg, Terese Bergfors, Christoffer Björkelid, Sherry L. Mowbray, Torsten Unge and T. Alwyn Jones (2005) Structure and function of carbonic anhydrases from Mycobacterium tuberculosis
J. Biol. Chem. accepted for publication.
138. Alina Castell, Patrik Johansson, Torsten Unge, T. Alwyn Jones, and Kristina Bäckbro (2005) Rv0216, a conserved hypothetical protein from Mycobacterium tuberculosis that is essential for bacterial survival during infection, has a double hotdog-fold
Protein Science, accepted for publication.
139. Wojciech W. Krajewski 1 , T. Alwyn Jones 1 , and Sherry L. Mowbray (2005) Structure of Mycobacterium tuberculosis glutamine synthetase in complex with a transition-state mimic provides new functional insights
PNAS, accepted for publication
140. Structure of an atypical epoxide hydrolase from Mycobacterium tuberculosis gives insights into its function
Patrik Johansson, Torsten Unge, Annetee Cronon, Michael Arand, Terese Bergfors, T. Alwyn Jones and Sherry L. Mowbray
J. Mol. Biol (2005) accepted.
Other publications, manuals ....These are mostly descriptions of computer programs that have been made available to the crystallographic community.
G J Kleywegt & T A Jones, “O2D - the manual”,software manual, Uppsala, 1994 (25 pp.).
G J Kleywegt & T A Jones, “MOLEMAN - the manual”, software manual, Uppsala, 1994 (30 pp.).
G J Kleywegt & T A Jones, “RAVE - the tutorial”,tutorial, Uppsala, 1993 (22 pp.).
G J Kleywegt & T A Jones, “RAVE - the manual”,software manual, Uppsala, 1993 (85 pp.).
G J Kleywegt & T A Jones, “DATAMAN - the manual”,software manual, Uppsala, 1993 (29 pp.).
G J Kleywegt & T A Jones, “MAPMAN - the manual”,software manual, Uppsala, 1993 (36 pp.).
G J Kleywegt & T A Jones, “MAMA - the manual”, software manual, Uppsala, 1993 (77 pp.).
G J Kleywegt & T A Jones, “VOIDOO - the manual”,software manual, Uppsala, 1993 (51 pp.).
G J Kleywegt,“Dictionaries for Heteros”,ESF/CCP4 Newsletter, nr. 32, 45-50 (1995).
G J Kleywegt & T A Jones,“A super position”,ESF/CCP4 Newsletter, nr. 31, 9-14 (1994).
G J Kleywegt & T A Jones,“OOPS-a-daisy”,ESF/CCP4 Newsletter, nr. 30, 20-24 (1994).
G J Kleywegt & T A Jones,“Biomacromolecular speleology”,ESF/CCP4 Newsletter, nr. 29, 26-28 (1993).
G J Kleywegt & T A Jones, “Masks made easy”, ESF/CCP4 Newsletter, nr. 28, 56-59 (1993).
T.A. Jones * M. Kjeldgaard, “Essential O’, software manual, Uppsala 1998 (pp. 178)