-
1
-
-
22244466130
-
The structural biology of type II fatty acid biosynthesis
-
White, S. W., Zheng, J., Zhang, Y. M. and Rock (2005) The structural biology of type II fatty acid biosynthesis. Annu. Rev. Biochem. 74, 791-831.
-
(2005)
Annu. Rev. Biochem
, vol.74
, pp. 791-831
-
-
White, S.W.1
Zheng, J.2
Zhang, Y.M.3
Rock4
-
2
-
-
0037163021
-
The key role of anaplerosis and cataplerosis for citric acid cycle function
-
Owen, O. E., Kalhan, S. C. and Hanson, R. W. (2002) The key role of anaplerosis and cataplerosis for citric acid cycle function. J. Biol. Chem. 277, 30409-30412.
-
(2002)
J. Biol. Chem
, vol.277
, pp. 30409-30412
-
-
Owen, O.E.1
Kalhan, S.C.2
Hanson, R.W.3
-
4
-
-
0345863907
-
BRENDA, the enzyme database: Updates and major new developments
-
Schomburg, I., Chang, A., Ebeling, C., Gremse, M., Heldt, C., Huhn, G. and Schomburg, D. (2004) BRENDA, the enzyme database: updates and major new developments. Nucleic Acids Res. 32, D431-433.
-
(2004)
Nucleic Acids Res
, vol.32
-
-
Schomburg, I.1
Chang, A.2
Ebeling, C.3
Gremse, M.4
Heldt, C.5
Huhn, G.6
Schomburg, D.7
-
6
-
-
73649194755
-
Stereochemistry of polypeptide chain configurations
-
Ramachandran, G. N., Ramakrishnan, C. and Sasisekharan, V. (1963) Stereochemistry of polypeptide chain configurations. J. Mol. Biol. 7, 95-99.
-
(1963)
J. Mol. Biol
, vol.7
, pp. 95-99
-
-
Ramachandran, G.N.1
Ramakrishnan, C.2
Sasisekharan, V.3
-
7
-
-
0037110552
-
Protein folding in mode space: A collective coordinate approach to structure prediction
-
Abseher, R. and Nilges, M. (2002) Protein folding in mode space: a collective coordinate approach to structure prediction. Proteins 49, 365-377.
-
(2002)
Proteins
, vol.49
, pp. 365-377
-
-
Abseher, R.1
Nilges, M.2
-
8
-
-
0037154980
-
Protein folding and unfolding at atomic resolution
-
Fersht, A. R. and Daggett, V. (2002) Protein folding and unfolding at atomic resolution. Cell 108, 573-582.
-
(2002)
Cell
, vol.108
, pp. 573-582
-
-
Fersht, A.R.1
Daggett, V.2
-
9
-
-
0033954256
-
The Protein Data Bank
-
Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., Weissig, H., Shindyalov, I. N. and Bourne, P. E. (2000) The Protein Data Bank. Nucleic Acids Res. 28, 235-242.
-
(2000)
Nucleic Acids Res
, vol.28
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
10
-
-
23244455562
-
Global rigid body modeling of macromolecular complexes against small-angle scattering data
-
Petoukhov, M. V. and Svergun, D. I. (2005) Global rigid body modeling of macromolecular complexes against small-angle scattering data. Biophys J. 89, 1237-1250.
-
(2005)
Biophys J
, vol.89
, pp. 1237-1250
-
-
Petoukhov, M.V.1
Svergun, D.I.2
-
11
-
-
4344716056
-
Normal mode based flexible fitting of high-resolution structure into low-resolution experimental data from cryo-EM
-
Tama, F., Miyashita, O. and Brooks, C. L., 3rd (2004) Normal mode based flexible fitting of high-resolution structure into low-resolution experimental data from cryo-EM. J. Struct. Biol. 147, 315-326.
-
(2004)
J. Struct. Biol
, vol.147
, pp. 315-326
-
-
Tama, F.1
Miyashita, O.2
Brooks 3rd, C.L.3
-
12
-
-
0037181086
-
Role of protein flexibility in enzymatic catalysis: Quantum mechanical- molecular mechanical study of the deacylation reaction in class A β-lactamases
-
Castillo, R., Silla, E. and Tunon, I. (2002) Role of protein flexibility in enzymatic catalysis: quantum mechanical- molecular mechanical study of the deacylation reaction in class A β-lactamases. J. Am. Chem. Soc. 124, 1809-1816.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 1809-1816
-
-
Castillo, R.1
Silla, E.2
Tunon, I.3
-
13
-
-
0035853044
-
Toward a quantum-mechanical description of metal-assisted phosphoryl transfer in pyrophosphatase
-
Heikinheimo, P., Tuominen, V., Ahonen, A.-K., Teplyakov, A., Cooperman, B. S., Baykov, A. A., Lahti, R. and Goldman, A. (2001) Toward a quantum-mechanical description of metal-assisted phosphoryl transfer in pyrophosphatase. Proc. Natl. Acad. Sci. USA 98, 3121-3126.
-
(2001)
Proc. Natl. Acad. Sci. USA
, vol.98
, pp. 3121-3126
-
-
Heikinheimo, P.1
Tuominen, V.2
Ahonen, A.-K.3
Teplyakov, A.4
Cooperman, B.S.5
Baykov, A.A.6
Lahti, R.7
Goldman, A.8
-
14
-
-
0003492872
-
Crystallization of Nucleic Acids and Proteins: A Practical Approach
-
Ducruix, A. and Giege, R, eds, Oxford University Press, Oxford
-
Ducruix, A. (1999) Crystallization of Nucleic Acids and Proteins: A Practical Approach (Practical Approach Series). Ducruix, A. and Giege, R. (eds.) Oxford University Press, Oxford.
-
(1999)
Practical Approach Series
-
-
Ducruix, A.1
-
16
-
-
2142692737
-
A simplified counter diffusion method combined with a 1D simulation program for optimizing crystallization conditions
-
Tanaka, H., Inaka, K., Sugiyama, S., Takahashi, S., Sano, S., Sato, M. and Yoshitomi, S. (2004) A simplified counter diffusion method combined with a 1D simulation program for optimizing crystallization conditions. J. Synchrotron Radiat. 11, 45-48.
-
(2004)
J. Synchrotron Radiat
, vol.11
, pp. 45-48
-
-
Tanaka, H.1
Inaka, K.2
Sugiyama, S.3
Takahashi, S.4
Sano, S.5
Sato, M.6
Yoshitomi, S.7
-
17
-
-
33748370297
-
Development of an automated large-scale protein-crystallization and monitoring system for high-throughput protein-structure analyses
-
Hiraki, M., Kato, R., Nagai, M., Satoh, T., Hirano, S., Ihara, K., Kudo, N., Nagae, M., Kobayashi, M., Inoue, M., Uejima, T., Oda, S., Chavas, L. M., Akutsu, M., Yamada, Y., Kawasaki, M., Matsugaki, N., Igarashi, N., Suzuki, M. and Wakatsuki, S. (2006) Development of an automated large-scale protein-crystallization and monitoring system for high-throughput protein-structure analyses. Acta Crystallogr. D Biol. Crystallogr. 62, 1058-1065.
-
(2006)
Acta Crystallogr. D Biol. Crystallogr
, vol.62
, pp. 1058-1065
-
-
Hiraki, M.1
Kato, R.2
Nagai, M.3
Satoh, T.4
Hirano, S.5
Ihara, K.6
Kudo, N.7
Nagae, M.8
Kobayashi, M.9
Inoue, M.10
Uejima, T.11
Oda, S.12
Chavas, L.M.13
Akutsu, M.14
Yamada, Y.15
Kawasaki, M.16
Matsugaki, N.17
Igarashi, N.18
Suzuki, M.19
Wakatsuki, S.20
more..
-
18
-
-
0034257929
-
The 1.0 Å crystal structure of Ca(2+)-bound calmodulin: An analysis of disorder and implications for functionally relevant plasticity
-
Wilson, M. A. and Brunger, A. T. (2000) The 1.0 Å crystal structure of Ca(2+)-bound calmodulin: an analysis of disorder and implications for functionally relevant plasticity. J. Mol. Biol. 301, 1237-1256.
-
(2000)
J. Mol. Biol
, vol.301
, pp. 1237-1256
-
-
Wilson, M.A.1
Brunger, A.T.2
-
19
-
-
32644451166
-
Molecular dynamics simulations of sarcin-ricin rRNA motif
-
Spackova, N. and Sponer, J. (2006) Molecular dynamics simulations of sarcin-ricin rRNA motif. Nucleic Acids Res. 34, 697-708.
-
(2006)
Nucleic Acids Res
, vol.34
, pp. 697-708
-
-
Spackova, N.1
Sponer, J.2
-
20
-
-
19544370004
-
Comparison of X-ray and NMR structures: Is there a systematic difference in residue contacts between X-ray- and NMR-resolved protein structures?
-
Garbuzynskiy, S. O., Melnik, B. S., Lobanov, M. Y., Finkelstein, A. V. and Galzitskaya, O. V. (2005) Comparison of X-ray and NMR structures: is there a systematic difference in residue contacts between X-ray- and NMR-resolved protein structures? Proteins 60, 139-147.
-
(2005)
Proteins
, vol.60
, pp. 139-147
-
-
Garbuzynskiy, S.O.1
Melnik, B.S.2
Lobanov, M.Y.3
Finkelstein, A.V.4
Galzitskaya, O.V.5
-
21
-
-
0032540246
-
Solution and crystal structures of a sperm whale myoglobin triple mutant that mimics the sulfide-binding hemoglobin from Lucina pectinata
-
Nguyen, B. D., Zhao, X., Vyas, K., La Mar, G. N., Lile, R. A., Brucker, E. A., Phillips, G. N., Jr., Olson, J. S. and Wittenberg, J. B. (1998) Solution and crystal structures of a sperm whale myoglobin triple mutant that mimics the sulfide-binding hemoglobin from Lucina pectinata. J. Biol. Chem. 273, 9517-9526.
-
(1998)
J. Biol. Chem
, vol.273
, pp. 9517-9526
-
-
Nguyen, B.D.1
Zhao, X.2
Vyas, K.3
La Mar, G.N.4
Lile, R.A.5
Brucker, E.A.6
Phillips Jr., G.N.7
Olson, J.S.8
Wittenberg, J.B.9
-
22
-
-
2442610955
-
DRESS: A Database of refined solution NMR structures
-
Nabuurs, S. B., Nederveen, A. J., Vranken, W., Doreleijers, J. F., Bonvin, A. M., Vuister, G. W., Vriend, G. and Spronk, C. A. (2004) DRESS: a Database of refined solution NMR structures. Proteins 55, 483-486.
-
(2004)
Proteins
, vol.55
, pp. 483-486
-
-
Nabuurs, S.B.1
Nederveen, A.J.2
Vranken, W.3
Doreleijers, J.F.4
Bonvin, A.M.5
Vuister, G.W.6
Vriend, G.7
Spronk, C.A.8
-
23
-
-
23644462292
-
Direct comparison of the crystal and solution structure of glucose/xylose isomerase from Streptomyces rubiginosus
-
Kozak, M. (2005) Direct comparison of the crystal and solution structure of glucose/xylose isomerase from Streptomyces rubiginosus. Protein Pept. Lett. 12, 547-550.
-
(2005)
Protein Pept. Lett
, vol.12
, pp. 547-550
-
-
Kozak, M.1
-
24
-
-
0040074702
-
A comparison between the crystal and solution structures of Escherichia coli asparaginase II
-
Kozak, M. and Jurga, S. (2002) A comparison between the crystal and solution structures of Escherichia coli asparaginase II. Acta Biochim. Pol. 49, 509-513.
-
(2002)
Acta Biochim. Pol
, vol.49
, pp. 509-513
-
-
Kozak, M.1
Jurga, S.2
-
25
-
-
0037305974
-
Overview of structural genomics: From structure to function
-
Zhang, C. and Kim, S. H. (2003) Overview of structural genomics: from structure to function. Curr. Opin. Chem. Biol. 7, 28-32.
-
(2003)
Curr. Opin. Chem. Biol
, vol.7
, pp. 28-32
-
-
Zhang, C.1
Kim, S.H.2
-
26
-
-
0036804362
-
The genesis of high-throughput structure-based drug discovery using protein crystallography
-
Kuhn, P., Wilson, K., Patch, M. G. and Stevens, R. C. (2002) The genesis of high-throughput structure-based drug discovery using protein crystallography. Curr. Opin. Chem. Biol. 6, 704-710.
-
(2002)
Curr. Opin. Chem. Biol
, vol.6
, pp. 704-710
-
-
Kuhn, P.1
Wilson, K.2
Patch, M.G.3
Stevens, R.C.4
-
27
-
-
21144431525
-
Automation of macromolecular crystallography beamlines
-
Arzt, S., Beteva, A., Cipriani, F., Delageniere, S., Felisaz, F., Forstner, G., Gordon, E., Launer, L., Lavault, B., Leonard, G., Mairs, T., McCarthy, A., McCarthy, J., McSweeney, S., Meyer, J., Mitchell, E., Monaco, S., Nurizzo, D., Ravelli, R., Rey, V., Shepard, W., Spruce, D., Svensson, O. and Theveneau, P. (2005) Automation of macromolecular crystallography beamlines. Prog. Biophys. Mol. Biol. 89, 124-152.
-
(2005)
Prog. Biophys. Mol. Biol
, vol.89
, pp. 124-152
-
-
Arzt, S.1
Beteva, A.2
Cipriani, F.3
Delageniere, S.4
Felisaz, F.5
Forstner, G.6
Gordon, E.7
Launer, L.8
Lavault, B.9
Leonard, G.10
Mairs, T.11
McCarthy, A.12
McCarthy, J.13
McSweeney, S.14
Meyer, J.15
Mitchell, E.16
Monaco, S.17
Nurizzo, D.18
Ravelli, R.19
Rey, V.20
Shepard, W.21
Spruce, D.22
Svensson, O.23
Theveneau, P.24
more..
-
28
-
-
3843103788
-
Protein Data Bank depositions from synchrotron sources
-
Jiang, J. and Sweet, R. M. (2004) Protein Data Bank depositions from synchrotron sources. J. Synchrotron Radiat. 11, 319-327.
-
(2004)
J. Synchrotron Radiat
, vol.11
, pp. 319-327
-
-
Jiang, J.1
Sweet, R.M.2
-
29
-
-
33644877022
-
Current state and prospects of macromolecular crystallography
-
Dauter, Z. (2006) Current state and prospects of macromolecular crystallography. Acta Crystallogr. D Biol. Crystallogr. 62, 1-11.
-
(2006)
Acta Crystallogr. D Biol. Crystallogr
, vol.62
, pp. 1-11
-
-
Dauter, Z.1
-
30
-
-
0037507351
-
An evaluation of automated model-building procedures for protein crystallography
-
Badger, J. (2003) An evaluation of automated model-building procedures for protein crystallography. Acta Crystallogr. D Biol. Crystallogr. 59, 823-827.
-
(2003)
Acta Crystallogr. D Biol. Crystallogr
, vol.59
, pp. 823-827
-
-
Badger, J.1
-
31
-
-
0037350037
-
Sheldrick's 1.2 Å rule and beyond
-
Morris, R. J. and Bricogne, G. (2003) Sheldrick's 1.2 Å rule and beyond. Acta Cryst. 59, 615-617.
-
(2003)
Acta Cryst
, vol.59
, pp. 615-617
-
-
Morris, R.J.1
Bricogne, G.2
-
32
-
-
0030778007
-
The benefits of atomic resolution
-
Dauter, Z., Lamzin, V. S. and Wilson, K. S. (1997) The benefits of atomic resolution. Curr. Opin. Struct. Biol. 7, 681-688.
-
(1997)
Curr. Opin. Struct. Biol
, vol.7
, pp. 681-688
-
-
Dauter, Z.1
Lamzin, V.S.2
Wilson, K.S.3
-
33
-
-
0032414233
-
Messages from ultrahigh resolution crystal structures
-
Longhi, S., Czjzek, M. and Cambillau, C. (1998) Messages from ultrahigh resolution crystal structures. Curr. Opin. Struct. Biol. 8, 730-737.
-
(1998)
Curr. Opin. Struct. Biol
, vol.8
, pp. 730-737
-
-
Longhi, S.1
Czjzek, M.2
Cambillau, C.3
-
34
-
-
0036913881
-
Veni, vidi, vici: Atomic resolution unravelling the mysteries of protein function
-
Schmidt, A. and Lamzin, V. S. (2002) Veni, vidi, vici: atomic resolution unravelling the mysteries of protein function. Curr. Opin. Struct. Biol. 12, 698-703.
-
(2002)
Curr. Opin. Struct. Biol
, vol.12
, pp. 698-703
-
-
Schmidt, A.1
Lamzin, V.S.2
-
35
-
-
0141959918
-
Statistical analysis of crystallographic data obtained from squid ganglion DFPase at 0. 85 Å resolution
-
Koepke, J., Scharff, E. I., Lucke, C., Ruterjans, H. and Fritzsch, G. (2003) Statistical analysis of crystallographic data obtained from squid ganglion DFPase at 0. 85 Å resolution. Acta Crystallogr. D Biol. Crystallogr. 59, 1744-1754.
-
(2003)
Acta Crystallogr. D Biol. Crystallogr
, vol.59
, pp. 1744-1754
-
-
Koepke, J.1
Scharff, E.I.2
Lucke, C.3
Ruterjans, H.4
Fritzsch, G.5
-
36
-
-
0035070165
-
Refinement of proteins at subatomic resolution with MOPRO
-
Guillot, B., Viry, L., Guillot, R., Lecomte, C. and Jelsch, C. (2001) Refinement of proteins at subatomic resolution with MOPRO. J. Appl. Cryst. 34, 214-223.
-
(2001)
J. Appl. Cryst
, vol.34
, pp. 214-223
-
-
Guillot, B.1
Viry, L.2
Guillot, R.3
Lecomte, C.4
Jelsch, C.5
-
37
-
-
2542571016
-
Ultrahigh resolution drug design I: Details of interactions in human aldose reductase-inhibitor complex at 0.66 Å
-
Howard, E. I., Sanishvili, R., Cachau, R. E., Mitschler, A., Chevrier, B., Barth, P., Lamour, V., Van Zandt, M., Sibley, E., Bon, C., Moras, D., Schneider, T. R., Joachimiak, A. and Podjarny, A. (2004) Ultrahigh resolution drug design I: details of interactions in human aldose reductase-inhibitor complex at 0.66 Å. Proteins 55, 792-804.
-
(2004)
Proteins
, vol.55
, pp. 792-804
-
-
Howard, E.I.1
Sanishvili, R.2
Cachau, R.E.3
Mitschler, A.4
Chevrier, B.5
Barth, P.6
Lamour, V.7
Van Zandt, M.8
Sibley, E.9
Bon, C.10
Moras, D.11
Schneider, T.R.12
Joachimiak, A.13
Podjarny, A.14
-
38
-
-
0142104233
-
Atomic resolution density maps reveal secondary structure dependent differences in electronic distribution
-
Lario, P. I. and Vrielink, A. (2003) Atomic resolution density maps reveal secondary structure dependent differences in electronic distribution. J. Am. Chem. Soc. 125, 12787-12794.
-
(2003)
J. Am. Chem. Soc
, vol.125
, pp. 12787-12794
-
-
Lario, P.I.1
Vrielink, A.2
-
39
-
-
0033571653
-
Sidechain interactions in parallel beta-sheets: The energetics of cross-strand pairings
-
Merkel, J. S., Sturtevant, J. M. and Regan, L. (1999) Sidechain interactions in parallel beta-sheets: the energetics of cross-strand pairings. Structure 7, 1333-1343.
-
(1999)
Structure
, vol.7
, pp. 1333-1343
-
-
Merkel, J.S.1
Sturtevant, J.M.2
Regan, L.3
-
40
-
-
0027563464
-
On the calculation of pKas in Proteins
-
Yang, A. S., Gunner, M. R., Sampogna, R., Sharp, K. and Honig, B. (1993) On the calculation of pKas in Proteins. Proteins 15, 252-265.
-
(1993)
Proteins
, vol.15
, pp. 252-265
-
-
Yang, A.S.1
Gunner, M.R.2
Sampogna, R.3
Sharp, K.4
Honig, B.5
-
41
-
-
0028979982
-
Abnormally high pKa of an activesite glutamic acid residue in Bacillus circulans xylanase: The role of electrostatic interactions
-
Davoodi, J., Wakarchuk, W. W., Campbell, R. L., Carey, P. R. and Surewicz, W. K. (1995) Abnormally high pKa of an activesite glutamic acid residue in Bacillus circulans xylanase: The role of electrostatic interactions. Eur. J. Biochem. 232, 839-843.
-
(1995)
Eur. J. Biochem
, vol.232
, pp. 839-843
-
-
Davoodi, J.1
Wakarchuk, W.W.2
Campbell, R.L.3
Carey, P.R.4
Surewicz, W.K.5
-
42
-
-
84931270541
-
Testing aspherical atom refinements on small molecule data sets
-
Hansen, N. K. and Coppens, P. (1978) Testing aspherical atom refinements on small molecule data sets. Acta Cryst. A34, 909-921.
-
(1978)
Acta Cryst
, vol.A34
, pp. 909-921
-
-
Hansen, N.K.1
Coppens, P.2
-
43
-
-
34447630224
-
Modelling of bond electron density by Gaussian scatterers at subatomic resolution
-
Afonine, P., Pichon-Pesme, V., Muzet, N., Jelsch, C., Lecomte, C. and Urzhumtsev, A. (2002) Modelling of bond electron density by Gaussian scatterers at subatomic resolution. CCP4 Newsletter 41.
-
(2002)
CCP4 Newsletter
, vol.41
-
-
Afonine, P.1
Pichon-Pesme, V.2
Muzet, N.3
Jelsch, C.4
Lecomte, C.5
Urzhumtsev, A.6
-
44
-
-
4644317218
-
On the possibility of the observation of valence electron density for individual bonds in proteins in conventional difference maps
-
Afonine, P. V., Lunin, V. Y., Muzet, N. and Urzhumtsev, A. (2004) On the possibility of the observation of valence electron density for individual bonds in proteins in conventional difference maps. Acta Crystallogr. D Biol. Crystallogr. 60, 260-274.
-
(2004)
Acta Crystallogr. D Biol. Crystallogr
, vol.60
, pp. 260-274
-
-
Afonine, P.V.1
Lunin, V.Y.2
Muzet, N.3
Urzhumtsev, A.4
-
45
-
-
0037351817
-
Direct experimental observation of the hydrogen-bonding network of a glycosidase along its reaction coordinate revealed by atomic resolution analyses of endoglucanase Cel5A
-
Varrot, A. and Davies, G. J. (2003) Direct experimental observation of the hydrogen-bonding network of a glycosidase along its reaction coordinate revealed by atomic resolution analyses of endoglucanase Cel5A. Acta Crystallogr. D Biol. Crystallogr. 59, 447-52.
-
(2003)
Acta Crystallogr. D Biol. Crystallogr
, vol.59
, pp. 447-452
-
-
Varrot, A.1
Davies, G.J.2
-
46
-
-
0942298096
-
Observation of a short, strong hydrogen bond in the active site of hydroxynitrile lyase from Hevea brasiliensis explains a large pKa shift of the catalytic base induced by the reaction intermediate
-
Stranzl, G. R., Gruber, K., Steinkellner, G., Zangger, K., Schwab, H. and Kratky, C. (2004) Observation of a short, strong hydrogen bond in the active site of hydroxynitrile lyase from Hevea brasiliensis explains a large pKa shift of the catalytic base induced by the reaction intermediate. J. Biol. Chem. 279, 3699-3707.
-
(2004)
J. Biol. Chem
, vol.279
, pp. 3699-3707
-
-
Stranzl, G.R.1
Gruber, K.2
Steinkellner, G.3
Zangger, K.4
Schwab, H.5
Kratky, C.6
-
47
-
-
0037422593
-
Optimal alignment for enzymatic proton transfer: Structure of the Michaelis complex of triosephosphate isomerase at 1.2-Å resolution
-
Jogl, G., Rozovsky, S., McDermott, A. E. and Tong, L. (2003) Optimal alignment for enzymatic proton transfer: structure of the Michaelis complex of triosephosphate isomerase at 1.2-Å resolution. Proc. Natl. Acad. Sci. USA 100, 50-55.
-
(2003)
Proc. Natl. Acad. Sci. USA
, vol.100
, pp. 50-55
-
-
Jogl, G.1
Rozovsky, S.2
McDermott, A.E.3
Tong, L.4
-
48
-
-
0037094114
-
An ultrahigh resolution structure of TEM-1 beta-lactamase suggests a role for Glu166 as the general base in acylation
-
Minasov, G., Wang, X. and Shoichet, B. K. (2002) An ultrahigh resolution structure of TEM-1 beta-lactamase suggests a role for Glu166 as the general base in acylation. J. Am. Chem. Soc. 124, 5333-5340.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 5333-5340
-
-
Minasov, G.1
Wang, X.2
Shoichet, B.K.3
-
49
-
-
33646044990
-
High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study
-
Stirnimann, C. U., Rozhkova, A., Grauschopf, U., Bockmann, R. A., Glockshuber, R., Capitani, G. and Grutter, M. G. (2006) High-resolution structures of Escherichia coli cDsbD in different redox states: A combined crystallographic, biochemical and computational study. J. Mol. Biol. 358, 829-845.
-
(2006)
J. Mol. Biol
, vol.358
, pp. 829-845
-
-
Stirnimann, C.U.1
Rozhkova, A.2
Grauschopf, U.3
Bockmann, R.A.4
Glockshuber, R.5
Capitani, G.6
Grutter, M.G.7
-
50
-
-
16644401502
-
The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48
-
Ruiz, F., Hazemann, I., Mitschler, A., Joachimiak, A., Schneider, T., Karplus, M. and Podjarny, A. (2004) The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48. Acta Crystallogr. D Biol. Crystallogr. 60, 1347-1354.
-
(2004)
Acta Crystallogr. D Biol. Crystallogr
, vol.60
, pp. 1347-1354
-
-
Ruiz, F.1
Hazemann, I.2
Mitschler, A.3
Joachimiak, A.4
Schneider, T.5
Karplus, M.6
Podjarny, A.7
-
51
-
-
0041806640
-
Electrostatic complementarity in an aldose reductase complex from ultra-high-resolution crystallography and first-principles calculations
-
Muzet, N., Guillot, B., Jelsch, C., Howard, E. and Lecomte, C. (2003) Electrostatic complementarity in an aldose reductase complex from ultra-high-resolution crystallography and first-principles calculations. Proc. Natl. Acad. Sci. USA 100, 8742-8747.
-
(2003)
Proc. Natl. Acad. Sci. USA
, vol.100
, pp. 8742-8747
-
-
Muzet, N.1
Guillot, B.2
Jelsch, C.3
Howard, E.4
Lecomte, C.5
-
52
-
-
0037161809
-
The catalytic pathway of horseradish peroxidase at high resolution
-
Berglund, G. I., Carlsson, G. H., Smith, A. T., Szoke, H., Henriksen, A. and Hajdu, J. (2002) The catalytic pathway of horseradish peroxidase at high resolution. Nature 417, 463-468.
-
(2002)
Nature
, vol.417
, pp. 463-468
-
-
Berglund, G.I.1
Carlsson, G.H.2
Smith, A.T.3
Szoke, H.4
Henriksen, A.5
Hajdu, J.6
-
53
-
-
18944379249
-
High-resolution crystallography and drug design
-
Cachau, R. E. and Podjarny, A. D. (2005) High-resolution crystallography and drug design. J. Mol. Recognit. 18, 196-202.
-
(2005)
J. Mol. Recognit
, vol.18
, pp. 196-202
-
-
Cachau, R.E.1
Podjarny, A.D.2
-
54
-
-
33645456147
-
Quantitative structure-activity relationship based quantification of the impacts of enzyme-substrate binding on rates of peroxidase-mediated reactions of estrogenic phenolic chemicals
-
Colosi, L. M., Huang, Q. and Weber, W. J., Jr. (2006) Quantitative structure-activity relationship based quantification of the impacts of enzyme-substrate binding on rates of peroxidase-mediated reactions of estrogenic phenolic chemicals. J. Am. Chem. Soc. 128, 4041-4047.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 4041-4047
-
-
Colosi, L.M.1
Huang, Q.2
Weber Jr., W.J.3
-
55
-
-
33244478113
-
-
Santos-Filho, O. A. and Hopfinger, A. J. (2006) Structure-based QSAR analysis of a set of 4-hydroxy-5,6-dihydropyrones as inhibitors of HIV-1 protease: an application of the receptor-dependent (RD) 4D-QSAR formalism. J. Chem. Inf. Model. 46, 345-354.
-
Santos-Filho, O. A. and Hopfinger, A. J. (2006) Structure-based QSAR analysis of a set of 4-hydroxy-5,6-dihydropyrones as inhibitors of HIV-1 protease: an application of the receptor-dependent (RD) 4D-QSAR formalism. J. Chem. Inf. Model. 46, 345-354.
-
-
-
-
56
-
-
21344432764
-
Protein-ligand interaction probed by time-resolved crystallography
-
Schmidt, M., Ihee, H., Pahl, R. and Srajer, V. (2005) Protein-ligand interaction probed by time-resolved crystallography. Methods Mol. Biol. 305, 115-154.
-
(2005)
Methods Mol. Biol
, vol.305
, pp. 115-154
-
-
Schmidt, M.1
Ihee, H.2
Pahl, R.3
Srajer, V.4
-
57
-
-
33845278689
-
Interpretation of atomic displacement parameters from diffraction studies of crystals
-
Dunitz, J. D., Shomaker, V. and Trueblood, K. N. (1988) Interpretation of atomic displacement parameters from diffraction studies of crystals. J. Phys. Chem. 92, 856-867.
-
(1988)
J. Phys. Chem
, vol.92
, pp. 856-867
-
-
Dunitz, J.D.1
Shomaker, V.2
Trueblood, K.N.3
-
58
-
-
0033152783
-
Expanding the model: Anisotropic displacement parameters in protein structure refinement
-
Merritt, E. A. (1999) Expanding the model: anisotropic displacement parameters in protein structure refinement. Acta Crystallogr. D Biol. Crystallogr. 55, 1109-1117.
-
(1999)
Acta Crystallogr. D Biol. Crystallogr
, vol.55
, pp. 1109-1117
-
-
Merritt, E.A.1
-
59
-
-
0041821836
-
A perspective on enzyme catalysis
-
Benkovic, S. J. and Hammes-Schiffer, S. (2003) A perspective on enzyme catalysis. Science 301, 1196-1202.
-
(2003)
Science
, vol.301
, pp. 1196-1202
-
-
Benkovic, S.J.1
Hammes-Schiffer, S.2
-
60
-
-
0037022683
-
Network of coupled promoting motions in enzyme catalysis
-
Agarwal, P. K., Billeter, S. R., Rajagopalan, P. T. R., Benkovic, S. J. and Hammes-Schiffer, S. (2002) Network of coupled promoting motions in enzyme catalysis. Proc. Natl. Acad. Sci. USA 99, 2794-2799.
-
(2002)
Proc. Natl. Acad. Sci. USA
, vol.99
, pp. 2794-2799
-
-
Agarwal, P.K.1
Billeter, S.R.2
Rajagopalan, P.T.R.3
Benkovic, S.J.4
Hammes-Schiffer, S.5
-
61
-
-
0036305965
-
Atomic (0.94 Å) resolution structure of an inverting glycosidase in complex with substrate
-
Guerin, D. M., Lascombe, M.-B., Costabel, M., Souchon, H., Lamzin, V. S., Beguin, P. and Alzari, P. M. (2002) Atomic (0.94 Å) resolution structure of an inverting glycosidase in complex with substrate. J. Mol. Biol. 316, 1061-1069.
-
(2002)
J. Mol. Biol
, vol.316
, pp. 1061-1069
-
-
Guerin, D.M.1
Lascombe, M.-B.2
Costabel, M.3
Souchon, H.4
Lamzin, V.S.5
Beguin, P.6
Alzari, P.M.7
-
62
-
-
25144514453
-
Extraction of functional motion in trypsin crystal structures
-
Schmidt, A. and Lamzin, V. S. (2005) Extraction of functional motion in trypsin crystal structures. Acta Crystallogr. D Biol. Crystallogr. 61, 1132-1139.
-
(2005)
Acta Crystallogr. D Biol. Crystallogr
, vol.61
, pp. 1132-1139
-
-
Schmidt, A.1
Lamzin, V.S.2
-
63
-
-
0035182073
-
Use of TLS parameters to model anisotropic displacements in macromolecular refinement
-
Winn, M. D., Isupov, M. N. and Murshudov, G. N. (2001) Use of TLS parameters to model anisotropic displacements in macromolecular refinement. Acta Crystallogr. D Biol. Crystallogr. 57, 122-133.
-
(2001)
Acta Crystallogr. D Biol. Crystallogr
, vol.57
, pp. 122-133
-
-
Winn, M.D.1
Isupov, M.N.2
Murshudov, G.N.3
-
64
-
-
0033605892
-
Crystallographic evaluation of internal motion of human alpha-lactalbumin refined by full-matrix least-squares method
-
Harata, K., Abe, Y. and Muraki, M. (1999) Crystallographic evaluation of internal motion of human alpha-lactalbumin refined by full-matrix least-squares method. J. Mol. Biol. 287, 347-358.
-
(1999)
J. Mol. Biol
, vol.287
, pp. 347-358
-
-
Harata, K.1
Abe, Y.2
Muraki, M.3
-
65
-
-
0036643506
-
Crystallographic dissection of the thermal motion of protein-sugar complex
-
Harata, K. and Kanai, R. (2002) Crystallographic dissection of the thermal motion of protein-sugar complex. Proteins 48, 53-62.
-
(2002)
Proteins
, vol.48
, pp. 53-62
-
-
Harata, K.1
Kanai, R.2
-
66
-
-
33745677783
-
Structure of an orthorhombic form of xylanase II from Trichoderma reesei and analysis of thermal displacement
-
Watanabe, N., Akiba, T., Kanai, R. and Harata, K. (2006) Structure of an orthorhombic form of xylanase II from Trichoderma reesei and analysis of thermal displacement. Acta Crystallogr. D Biol. Crystallogr. 62, 784-792.
-
(2006)
Acta Crystallogr. D Biol. Crystallogr
, vol.62
, pp. 784-792
-
-
Watanabe, N.1
Akiba, T.2
Kanai, R.3
Harata, K.4
-
67
-
-
0026663419
-
Normal mode refinement: Crystallographic refinement of protein dynamic structure. I. Theory and test by simulated diffraction data
-
Kidera, A. and Go, N. (1992) Normal mode refinement: crystallographic refinement of protein dynamic structure. I. Theory and test by simulated diffraction data. J. Mol. Biol. 225, 457-475.
-
(1992)
J. Mol. Biol
, vol.225
, pp. 457-475
-
-
Kidera, A.1
Go, N.2
-
68
-
-
18544386701
-
Domain motions and the open-to-closed conformational transition of an enzyme: A normal mode analysis of S-adenosyl-L-homocysteine hydrolase
-
Wang, M., Borchardt, R. T., Schowen, R. L. and Kuczera, K. (2005) Domain motions and the open-to-closed conformational transition of an enzyme: a normal mode analysis of S-adenosyl-L-homocysteine hydrolase. Biochemistry 44, 7228-7239.
-
(2005)
Biochemistry
, vol.44
, pp. 7228-7239
-
-
Wang, M.1
Borchardt, R.T.2
Schowen, R.L.3
Kuczera, K.4
-
69
-
-
3242883858
-
On the potential of normal-mode analysis for solving difficult molecular-replacement problems
-
Suhre, K. and Sanejouand, Y. H. (2004) On the potential of normal-mode analysis for solving difficult molecular-replacement problems. Acta Crystallogr. D Biol. Crystallogr. 60, 796-799.
-
(2004)
Acta Crystallogr. D Biol. Crystallogr
, vol.60
, pp. 796-799
-
-
Suhre, K.1
Sanejouand, Y.H.2
|