-
1
-
-
0029014036
-
-
Dang, Q. D.; Vindigni, A.; Di Cera, E. Proc. Natl. Acad. Sci. U.S.A. 1995, 92, 5977.
-
(1995)
Proc. Natl. Acad. Sci. U.S.A.
, vol.92
, pp. 5977
-
-
Dang, Q.D.1
Vindigni, A.2
Di Cera, E.3
-
3
-
-
0027516679
-
-
Parry, M. A. A.; Stone, S. R.; Hofsteenge, J.; Jackman, M. P. Biochem. J. 1993, 290, 665.
-
(1993)
Biochem. J.
, vol.290
, pp. 665
-
-
Parry, M.A.A.1
Stone, S.R.2
Hofsteenge, J.3
Jackman, M.P.4
-
4
-
-
0342393342
-
-
note
-
Abbreviations: 7-AMC, 7-amino(amido)-4-methylcoumarin; Bis-Tris propane, 1,3-bis[tris(hydroxymethyl)methylamino]-propane; Chiracel-OJ, cellulose tri-4-methyl-benzoate coated silica; Hb, hydrogen bond; MNDO, minimum neglect of differential overlap; 4-MU, 4-methylumbelliferone; MUGB, 4-methylumbelliferyl-p-guanidinobenzoate hydrochloride; PEG-4000, polyethylene glycol (MW 4000); PMNs, 4-nitrophenyl 4-X-substituted-phenacyl methylphosphonates; pNP, 4-nitrophenol; t-PA, tissue-type plasminogen activator enzyme; Tris, Tris-(hydroxymethyl)-aminomethane; vdW, van der Waals.
-
-
-
-
5
-
-
0026337077
-
-
Davie, E. W.; Fujikawa, K.; Kisiel, W. Biochemistry 1991, 29, 10363.
-
(1991)
Biochemistry
, vol.29
, pp. 10363
-
-
Davie, E.W.1
Fujikawa, K.2
Kisiel, W.3
-
6
-
-
0004167344
-
-
Berliner, L. J., Ed.; Plenum: New York, Chapter 1
-
Bode, W.; Huber, R.; Rydel, T. J.; Tulinsky, A. In Thrombin: structure and function; Berliner, L. J., Ed.; Plenum: New York, 1992; Chapter 1.
-
(1992)
Thrombin: Structure and Function
-
-
Bode, W.1
Huber, R.2
Rydel, T.J.3
Tulinsky, A.4
-
7
-
-
0024431034
-
-
Bode, W.; Mayr, I.; Baumann, U.; Huber, R.; Stone, S. R.; Hofsteenge, J. EMBO J. 1989, 8, 3467.
-
(1989)
EMBO J.
, vol.8
, pp. 3467
-
-
Bode, W.1
Mayr, I.2
Baumann, U.3
Huber, R.4
Stone, S.R.5
Hofsteenge, J.6
-
10
-
-
0027050807
-
-
Bode, W.; Turk, D.; Karshikov, A. Protein Sci. 1992, 1, 426.
-
(1992)
Protein Sci.
, vol.1
, pp. 426
-
-
Bode, W.1
Turk, D.2
Karshikov, A.3
-
11
-
-
0027751754
-
-
Katakura, S.; Nagahara, T.; Hara, T.; Iwamoto, M. Biochem. Biophys. Res. Commun. 1993, 197, 965.
-
(1993)
Biochem. Biophys. Res. Commun.
, vol.197
, pp. 965
-
-
Katakura, S.1
Nagahara, T.2
Hara, T.3
Iwamoto, M.4
-
12
-
-
0029092861
-
-
Rehse, P. H.; Steinmetzer, T.; Li, Y.; Konishi, Y.; Cygler, M. Biochemistry 1995, 34, 11537.
-
(1995)
Biochemistry
, vol.34
, pp. 11537
-
-
Rehse, P.H.1
Steinmetzer, T.2
Li, Y.3
Konishi, Y.4
Cygler, M.5
-
13
-
-
0029786114
-
-
Nienaber, V. L.; Mersinger, L. J.; Kettner, C. A. Biochemistry 1996, 35, 9690.
-
(1996)
Biochemistry
, vol.35
, pp. 9690
-
-
Nienaber, V.L.1
Mersinger, L.J.2
Kettner, C.A.3
-
14
-
-
0030050922
-
-
Di Cera, E.; Hopfner, K.-P.; Dang, Q. D. Biophys. J. 1996, 70, 174.
-
(1996)
Biophys. J.
, vol.70
, pp. 174
-
-
Di Cera, E.1
Hopfner, K.-P.2
Dang, Q.D.3
-
15
-
-
0024445042
-
-
Dunwiddie, C.; Thornberry, N. A.; Bull, J. G.; Sardana, M.; Friedman, P. A.; Jacobs, J. W.; Simpson, E. J. Biol. Chem. 1989, 264, 16694.
-
(1989)
J. Biol. Chem.
, vol.264
, pp. 16694
-
-
Dunwiddie, C.1
Thornberry, N.A.2
Bull, J.G.3
Sardana, M.4
Friedman, P.A.5
Jacobs, J.W.6
Simpson, E.7
-
16
-
-
0026583614
-
-
DeCristofaro, R.; Fenton, J. W.; Dicera, E. Biochemistry 1992, 31, 1147.
-
(1992)
Biochemistry
, vol.31
, pp. 1147
-
-
DeCristofaro, R.1
Fenton, J.W.2
Dicera, E.3
-
17
-
-
0025887321
-
-
Di Cera, E.; DeCristofaro, R.; Albright, D. J.; Fenton, J. W. Biochemistry 1991, 30, 7913.
-
(1991)
Biochemistry
, vol.30
, pp. 7913
-
-
Di Cera, E.1
DeCristofaro, R.2
Albright, D.J.3
Fenton, J.W.4
-
22
-
-
0029164592
-
-
Jetten, M.; Peters, A. M.; Grootenhuis, P. D. J.; Van Nispen, J. W.; Ottenheijm, H. C. J. Bioorg. Med. Chem. 1995, 3, 1099.
-
(1995)
Bioorg. Med. Chem.
, vol.3
, pp. 1099
-
-
Jetten, M.1
Peters, A.M.2
Grootenhuis, P.D.J.3
Van Nispen, J.W.4
Ottenheijm, H.C.J.5
-
24
-
-
0027456333
-
-
Tapparelli, C.; Metternich, R.; Ehrhardt, C.; Zurini, M.; Claeson, G.; Scully, M. F.; Stone, S. R. J. Biol. Chem. 1993, 268, 4734.
-
(1993)
J. Biol. Chem.
, vol.268
, pp. 4734
-
-
Tapparelli, C.1
Metternich, R.2
Ehrhardt, C.3
Zurini, M.4
Claeson, G.5
Scully, M.F.6
Stone, S.R.7
-
25
-
-
0027531653
-
-
Claeson, G.; Philipp, M.; Agner, E.; Scully, M. F.; Metternich, R.; Kakkar, V. V.; Desoyza, T.; Niu, L.-H. Biochem. J. 1993, 290, 309.
-
(1993)
Biochem. J.
, vol.290
, pp. 309
-
-
Claeson, G.1
Philipp, M.2
Agner, E.3
Scully, M.F.4
Metternich, R.5
Kakkar, V.V.6
Desoyza, T.7
Niu, L.-H.8
-
26
-
-
0026773189
-
-
Elgendy, S.; Deadman, J.; Patel, G.; Green, D.; Chino, N.; Goodwin, C. A.; Scully, M. F.; Kakkar, V. V.; Claeson, G. Tetrahedron Lett. 1992, 33, 4209.
-
(1992)
Tetrahedron Lett.
, vol.33
, pp. 4209
-
-
Elgendy, S.1
Deadman, J.2
Patel, G.3
Green, D.4
Chino, N.5
Goodwin, C.A.6
Scully, M.F.7
Kakkar, V.V.8
Claeson, G.9
-
27
-
-
0028057482
-
-
Oleksyszyn, J.; Boduszek, B.; Kam, C.-M.; Powers, J. C. J. Med. Chem. 1994, 37, 226.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 226
-
-
Oleksyszyn, J.1
Boduszek, B.2
Kam, C.-M.3
Powers, J.C.4
-
28
-
-
0029971695
-
-
Bertrand, J. A.; Oleksyszyn, J.; Kam, C.-M.; Boduszek, B.; Presnell, S.; Plaskon, R. R.; Suddath, F. L.; Powers, J. C.; Williams, L. D. Biochemistry 1996, 35, 3147.
-
(1996)
Biochemistry
, vol.35
, pp. 3147
-
-
Bertrand, J.A.1
Oleksyszyn, J.2
Kam, C.-M.3
Boduszek, B.4
Presnell, S.5
Plaskon, R.R.6
Suddath, F.L.7
Powers, J.C.8
Williams, L.D.9
-
29
-
-
0342828118
-
-
Goodwin, C.; Deadman, J.; Green, D.; Cheng, L.; Scully, M. F.; Kakkar, V. V.; Claeson, G. Thromb. Haemost. 1993, 69, 667.
-
(1993)
Thromb. Haemost.
, vol.69
, pp. 667
-
-
Goodwin, C.1
Deadman, J.2
Green, D.3
Cheng, L.4
Scully, M.F.5
Kakkar, V.V.6
Claeson, G.7
-
30
-
-
0028903906
-
-
Odake, S.; Kam, C. M.; Powers, J. C. J. Enzym. Inhib. 1995, 9, 17.
-
(1995)
J. Enzym. Inhib.
, vol.9
, pp. 17
-
-
Odake, S.1
Kam, C.M.2
Powers, J.C.3
-
31
-
-
0027427161
-
-
Tapparelli, C.; Metternich, R.; Ehrhardt, C.; Cook, N. S. Trends Pharmcol. Sci. 1993, 14, 366.
-
(1993)
Trends Pharmcol. Sci.
, vol.14
, pp. 366
-
-
Tapparelli, C.1
Metternich, R.2
Ehrhardt, C.3
Cook, N.S.4
-
32
-
-
0028811156
-
-
Gibbs, C. S.; Coutre, S. E.; Tsiang, M.; Li, W.-X.; Jain, A. K.; Dunn, K. E.; Law, V. S.; Mao, C. T.; Matsumura, S. Y.; Mejza, S. J.; Paborsky, L. R.; Leung, L. L. K. Nature (London) 1995, 378, 413.
-
(1995)
Nature (London)
, vol.378
, pp. 413
-
-
Gibbs, C.S.1
Coutre, S.E.2
Tsiang, M.3
Li, W.-X.4
Jain, A.K.5
Dunn, K.E.6
Law, V.S.7
Mao, C.T.8
Matsumura, S.Y.9
Mejza, S.J.10
Paborsky, L.R.11
Leung, L.L.K.12
-
33
-
-
0028358764
-
-
Zhao, Q.; Kovach, I. M.; Bencsura, A.; Papathanassiu, A. Biochemistry 1994, 33, 8128.
-
(1994)
Biochemistry
, vol.33
, pp. 8128
-
-
Zhao, Q.1
Kovach, I.M.2
Bencsura, A.3
Papathanassiu, A.4
-
38
-
-
0342828117
-
-
note
-
All interaction energies were calculated under completely identical conditions with the same number of solvate water for each enzyme. The protein-protein interactions were essentially unchanged from structure to structure, and water-water and protein-water interactions varied very little. Thus, the differences in interaction energies were completely related to the interactions of the fragment with the protein and water environment. Although calculation of free energy perturbation may be considered the most rigorous method of evaluation of relative stabilities of the adducts, the structures compared in this work are structural isomers or close analogues which should lend credence to the data analysis.
-
-
-
-
39
-
-
0342393338
-
-
note
-
Note that in-line displacement of 4-nitrophenol by serine causes no change in notation of the configuration around P because 4-nitrophenol has the highest priority in the reactant, but serine is only second in priority in the adduct.
-
-
-
-
40
-
-
12044256643
-
-
Kovach, I. M.; Zhao, Q.; Keane, M.; Reyes, R. J. Am. Chem. Soc. 1993, 115, 10471.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 10471
-
-
Kovach, I.M.1
Zhao, Q.2
Keane, M.3
Reyes, R.4
-
41
-
-
0020655601
-
-
Lottenberg, R.; Hall, J. A.; Blinder, M.; Binder, E. P.; Jackson, C. M. Biochim. Biophys. Acta 1983, 742, 539.
-
(1983)
Biochim. Biophys. Acta
, vol.742
, pp. 539
-
-
Lottenberg, R.1
Hall, J.A.2
Blinder, M.3
Binder, E.P.4
Jackson, C.M.5
-
42
-
-
0023851525
-
-
Kawabata, S.; Miura, T.; Morita, T.; Kato, H.; Fujikawa, K.; Iwanaga, S.; Takada, K.; Kimura, T.; Sakakibara, S. Eur. J. Biochem. 1988, 172, 17.
-
(1988)
Eur. J. Biochem.
, vol.172
, pp. 17
-
-
Kawabata, S.1
Miura, T.2
Morita, T.3
Kato, H.4
Fujikawa, K.5
Iwanaga, S.6
Takada, K.7
Kimura, T.8
Sakakibara, S.9
-
43
-
-
0017764088
-
-
Morita, T.; Kato, H.; Iwanaga, S.; Takada, K.; Kimura, T.; Sakakibara, S. J. Biochem. 1977, 82, 1495.
-
(1977)
J. Biochem.
, vol.82
, pp. 1495
-
-
Morita, T.1
Kato, H.2
Iwanaga, S.3
Takada, K.4
Kimura, T.5
Sakakibara, S.6
-
45
-
-
0026005785
-
-
Stone, S. R.; Betz, A.; Hofsteenge, J. Biochemistry 1991, 30, 9841.
-
(1991)
Biochemistry
, vol.30
, pp. 9841
-
-
Stone, S.R.1
Betz, A.2
Hofsteenge, J.3
-
46
-
-
0006871673
-
-
Quinn, D. M., Balasubramanian, A. S., Doctor, B. P., Taylor, P., Eds; Plenum: New York
-
Bencsura, A.; Enyedy, I.; Viragh, C.; Akhmetshin, R.; Kovach, I. M. In Enzymes of The Cholinesterase Family; Quinn, D. M., Balasubramanian, A. S., Doctor, B. P., Taylor, P., Eds; Plenum: New York, 1995; pp 155-162.
-
(1995)
Enzymes of The Cholinesterase Family
, pp. 155-162
-
-
Bencsura, A.1
Enyedy, I.2
Viragh, C.3
Akhmetshin, R.4
Kovach, I.M.5
-
47
-
-
0029116116
-
-
Bencsura, A.; Enyedy, I.; Kovach, I. M. Biochemistry 1995, 34, 8989.
-
(1995)
Biochemistry
, vol.34
, pp. 8989
-
-
Bencsura, A.1
Enyedy, I.2
Kovach, I.M.3
-
48
-
-
0029847276
-
-
Bencsura, A.; Enyedy, I.; Kovach, I. M. J. Am. Chem. Soc. 1996, 118, 8531.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 8531
-
-
Bencsura, A.1
Enyedy, I.2
Kovach, I.M.3
-
51
-
-
0011106788
-
-
Lieske, C. N.; Mejza, S. J.; Steinberg, G. M.; Pikulin, J. N.; Lennox, W. J.; Ash, A. B.; Blumbergs, P. J. Agric. Food Chem. 1969, 17, 255.
-
(1969)
J. Agric. Food Chem.
, vol.17
, pp. 255
-
-
Lieske, C.N.1
Mejza, S.J.2
Steinberg, G.M.3
Pikulin, J.N.4
Lennox, W.J.5
Ash, A.B.6
Blumbergs, P.7
-
52
-
-
0015546107
-
-
Jameson, G. W.; Rooberts, D. V.; Adams, R. W.; Kyle, W. S. A.; Elmore, D. T. Biochem. J. 1973, 131, 107.
-
(1973)
Biochem. J.
, vol.131
, pp. 107
-
-
Jameson, G.W.1
Rooberts, D.V.2
Adams, R.W.3
Kyle, W.S.A.4
Elmore, D.T.5
-
53
-
-
0004166184
-
-
Erithacus Software Ltd., U. K.
-
Leatherbarrow, R. J.GraFit; Erithacus Software Ltd., U. K. 1992; pp 1-288.
-
(1992)
GraFit
, pp. 1-288
-
-
Leatherbarrow, R.J.1
-
56
-
-
0002379632
-
-
Cook, P. F., Ed.; CRC: Boston, MA
-
Quinn, D. M.; Sutton, L. D. In Enzyme Mechanism from Isotope Effects; Cook, P. F., Ed.; CRC: Boston, MA, 1991; pp 73-126.
-
(1991)
Enzyme Mechanism from Isotope Effects
, pp. 73-126
-
-
Quinn, D.M.1
Sutton, L.D.2
-
58
-
-
0018795196
-
-
Porubcan, M. A.; Westler, W. M.; Ibanez, I. B.; Markley, J. L. Biochemistry 1979, 18, 4108.
-
(1979)
Biochemistry
, vol.18
, pp. 4108
-
-
Porubcan, M.A.1
Westler, W.M.2
Ibanez, I.B.3
Markley, J.L.4
-
59
-
-
0038005272
-
-
Markley, J. L.; Neves, D. E.; Westler, W. M.; Ibanez, I. B.; Porubcan, M. A.; Baillargeon, M. W. Developmental Biochemistry 1980, 10, 31.
-
(1980)
Developmental Biochemistry
, vol.10
, pp. 31
-
-
Markley, J.L.1
Neves, D.E.2
Westler, W.M.3
Ibanez, I.B.4
Porubcan, M.A.5
Baillargeon, M.W.6
|