-
1
-
-
0032900269
-
Toward understanding and tailoring the specificity of synthetically useful enzymes
-
An excellent review on structure-based explanation and design of enzymes, especially chymotrypsin, subtilisin, and lactate dehydrogenase
-
DeSantis G., Jones J.B. Toward understanding and tailoring the specificity of synthetically useful enzymes. Accounts Chem Res. 32:1999;99-107. An excellent review on structure-based explanation and design of enzymes, especially chymotrypsin, subtilisin, and lactate dehydrogenase.
-
(1999)
Accounts Chem Res
, vol.32
, pp. 99-107
-
-
Desantis, G.1
Jones, J.B.2
-
2
-
-
0242528545
-
Enantiopreference of lipase from Pseudomonas cepacia toward primary alcohols
-
Weissfloch A.N.E., Kazlauskas R.J. Enantiopreference of lipase from Pseudomonas cepacia toward primary alcohols. J Org Chem. 60:1995;6959-6969.
-
(1995)
J Org Chem
, vol.60
, pp. 6959-6969
-
-
Weissfloch, A.N.E.1
Kazlauskas, R.J.2
-
3
-
-
0033574606
-
Molecular basis for enantioselectivity of lipase from Pseudomonas cepacia toward primary alcohols. Modeling, kinetics and chemical modification of Tyr29 to increase or decrease enantioselectivity
-
Tuomi W.V., Kazlauskas R.J. Molecular basis for enantioselectivity of lipase from Pseudomonas cepacia toward primary alcohols. Modeling, kinetics and chemical modification of Tyr29 to increase or decrease enantioselectivity. J Org Chem. 64:1999;2638-2647.
-
(1999)
J Org Chem
, vol.64
, pp. 2638-2647
-
-
Tuomi, W.V.1
Kazlauskas, R.J.2
-
4
-
-
0343990048
-
Selectivity of lipases: Conformational analysis of suggested intermediates in ester hydrolysis of chiral primary and secondary alcohols
-
Zuegg J., Hönig H., Schrag J.D., Cygler M. Selectivity of lipases: conformational analysis of suggested intermediates in ester hydrolysis of chiral primary and secondary alcohols. J Mol Catal B. 3:1997;83-98.
-
(1997)
J Mol Catal B
, vol.3
, pp. 83-98
-
-
Zuegg, J.1
Hönig, H.2
Schrag, J.D.3
Cygler, M.4
-
5
-
-
0032102134
-
Structural basis of the chiral selectivity of Pseudomonas cepacia lipase
-
Lang D.A., Mannesse M.L.M., De Haas G.H., Verheij H.M., Dijkstra B.W. Structural basis of the chiral selectivity of Pseudomonas cepacia lipase. Eur J Biochem. 254:1998;333-340.
-
(1998)
Eur J Biochem
, vol.254
, pp. 333-340
-
-
Lang, D.A.1
Mannesse, M.L.M.2
De Haas, G.H.3
Verheij, H.M.4
Dijkstra, B.W.5
-
6
-
-
9344259269
-
Highly enantioselective epoxidation of disubstituted alkenes with hydrogen peroxide catalyzed by chloroperoxidase
-
Allain E.J., Hager L.P., Deng L., Jacobson E.N. Highly enantioselective epoxidation of disubstituted alkenes with hydrogen peroxide catalyzed by chloroperoxidase. J Am Chem Soc. 115:1993;4415-4416.
-
(1993)
J Am Chem Soc
, vol.115
, pp. 4415-4416
-
-
Allain, E.J.1
Hager, L.P.2
Deng, L.3
Jacobson, E.N.4
-
7
-
-
0028855317
-
Chloroperoxidase-catalyzed asymmetric oxidations: Substrate specificity and mechanistic study
-
Zaks A., Dodds D.R. Chloroperoxidase-catalyzed asymmetric oxidations: substrate specificity and mechanistic study. J Am Chem Soc. 117:1995;10419-10424.
-
(1995)
J Am Chem Soc
, vol.117
, pp. 10419-10424
-
-
Zaks, A.1
Dodds, D.R.2
-
8
-
-
0032170496
-
Stereochemistry of the chloroperoxidase active site: Crystallographic and molecular-modeling studies
-
Sundaramoorthy M., Terner J., Poulos T.L. Stereochemistry of the chloroperoxidase active site: crystallographic and molecular-modeling studies. Chem Biol. 5:1998;461-473.
-
(1998)
Chem Biol
, vol.5
, pp. 461-473
-
-
Sundaramoorthy, M.1
Terner, J.2
Poulos, T.L.3
-
9
-
-
0000890788
-
Highly enantioselective epoxidation of 1,1-disubstituted alkenes catalyzed by chloroperoxidase
-
Dexter A.F., Lakner F.J., Campbell R.A., Hager L.P. Highly enantioselective epoxidation of 1,1-disubstituted alkenes catalyzed by chloroperoxidase. J Am Chem Soc. 117:1995;6412-6413.
-
(1995)
J Am Chem Soc
, vol.117
, pp. 6412-6413
-
-
Dexter, A.F.1
Lakner, F.J.2
Campbell, R.A.3
Hager, L.P.4
-
10
-
-
0033214274
-
First preparation of enantiopure indane monomer, (S)-(-)- And (R)-(+)-2,3-dihydro-3-(4′-hydroxyphenyl)-1,1,3-trimethyl-1H-inden-5-ol, via a unique enantio- And regioselective enzymatic kinetic resolution
-
Zhang M., Kazlauskas R. First preparation of enantiopure indane monomer, (S)-(-)- and (R)-(+)-2,3-dihydro-3-(4′-hydroxyphenyl)-1,1,3-trimethyl-1H-inden-5-ol, via a unique enantio- and regioselective enzymatic kinetic resolution. J Org Chem. 64:1999;7498-7503.
-
(1999)
J Org Chem
, vol.64
, pp. 7498-7503
-
-
Zhang, M.1
Kazlauskas, R.2
-
11
-
-
0032761789
-
Protease-mediated separation of cis and trans diastereomers of 2-(R,S)-benzyloxymethyl-4-(S)-carboxylic acid-1,3-dioxolane methyl ester: Intermediates for the synthesis of dioxolane nucleosides
-
Janes L.E., Cimpoia A., Kazlauskas R.J. Protease-mediated separation of cis and trans diastereomers of 2-(R,S)-benzyloxymethyl-4-(S)-carboxylic acid-1,3-dioxolane methyl ester: intermediates for the synthesis of dioxolane nucleosides. J Org Chem. 64:1999;9019-9029.
-
(1999)
J Org Chem
, vol.64
, pp. 9019-9029
-
-
Janes, L.E.1
Cimpoia, A.2
Kazlauskas, R.J.3
-
13
-
-
0033151779
-
Structural basis for antibody catalysis of a disfavored ring closure reaction
-
Gruber K., Zhou B., Houk K.N., Lerner R.A., Shevlin C.G., Wilson I.A. Structural basis for antibody catalysis of a disfavored ring closure reaction. Biochemistry. 38:1999;7062-7074.
-
(1999)
Biochemistry
, vol.38
, pp. 7062-7074
-
-
Gruber, K.1
Zhou, B.2
Houk, K.N.3
Lerner, R.A.4
Shevlin, C.G.5
Wilson, I.A.6
-
14
-
-
0030034249
-
A structural basis for enantioselective inhibition of Candida rugosa lipase by long-chain aliphatic alcohols
-
Holmquist M., Høffner F., Norin T., Hult K. A structural basis for enantioselective inhibition of Candida rugosa lipase by long-chain aliphatic alcohols. Protein Sci. 5:1996;83-88.
-
(1996)
Protein Sci
, vol.5
, pp. 83-88
-
-
Holmquist, M.1
Høffner, F.2
Norin, T.3
Hult, K.4
-
15
-
-
0031016559
-
Probing the substrate specificity for lipases. II. Kinetic and modeling studies on the molecular recognition of 2-arylpropionic esters by Candida rugosa and Rhizomucor miehei lipases
-
Botta M., Cernia E., Corelli F., Manetti F., Soro S. Probing the substrate specificity for lipases. II. Kinetic and modeling studies on the molecular recognition of 2-arylpropionic esters by Candida rugosa and Rhizomucor miehei lipases. Biochim Biophys Acta. 1337:1997;302-310.
-
(1997)
Biochim Biophys Acta
, vol.1337
, pp. 302-310
-
-
Botta, M.1
Cernia, E.2
Corelli, F.3
Manetti, F.4
Soro, S.5
-
16
-
-
0032530607
-
Reversed enantiopreference of Candida rugosa lipase supports different modes of binding enantiomers of a chiral acyl donor
-
Berglund P., Holmquist M., Hult K. Reversed enantiopreference of Candida rugosa lipase supports different modes of binding enantiomers of a chiral acyl donor. J Mol Catal B. 5:1998;283-287.
-
(1998)
J Mol Catal B
, vol.5
, pp. 283-287
-
-
Berglund, P.1
Holmquist, M.2
Hult, K.3
-
17
-
-
0001292162
-
Creation of a synthetically useful lipase with higher than wild-type enantioselectivity and maintained catalytic activity
-
Holmquist M., Berglund P. Creation of a synthetically useful lipase with higher than wild-type enantioselectivity and maintained catalytic activity. Org Lett. 1:1999;763-765.
-
(1999)
Org Lett
, vol.1
, pp. 763-765
-
-
Holmquist, M.1
Berglund, P.2
-
18
-
-
0342547002
-
Computer-aided modelling of stereoselective triglyceride hydrolysis catalyzed by Rhizopus oryzae lipase
-
Holzwarth H.C., Pleiss J., Schmid R.D. Computer-aided modelling of stereoselective triglyceride hydrolysis catalyzed by Rhizopus oryzae lipase. J Mol Catal B. 3:1997;73-82.
-
(1997)
J Mol Catal B
, vol.3
, pp. 73-82
-
-
Holzwarth, H.C.1
Pleiss, J.2
Schmid, R.D.3
-
19
-
-
0031812512
-
Rational design of Rhizopus oryzae lipase with modified stereoselectivity toward triradylglycerols
-
Detailed modelling plus site-directed mutagenesis is used to confirm the modelling. The paper explains the surprising reversals in enantioselectivity
-
Scheib H., Pleiss J., Stadler P., Kovac A., Potthoff A.P., Haalck L., Spener F., Paltauf F., Schmid R.D. Rational design of Rhizopus oryzae lipase with modified stereoselectivity toward triradylglycerols. Protein Eng. 11:1998;675-682. Detailed modelling plus site-directed mutagenesis is used to confirm the modelling. The paper explains the surprising reversals in enantioselectivity.
-
(1998)
Protein Eng
, vol.11
, pp. 675-682
-
-
Scheib, H.1
Pleiss, J.2
Stadler, P.3
Kovac, A.4
Potthoff, A.P.5
Haalck, L.6
Spener, F.7
Paltauf, F.8
Schmid, R.D.9
-
20
-
-
0032957715
-
Stereoselectivity of Mucorales lipases toward triacylglycerols: A simple solution to a complex problem
-
Scheib H., Pleiss J., Kovac A., Paltauf F., Schmid R.D. Stereoselectivity of Mucorales lipases toward triacylglycerols: a simple solution to a complex problem. Protein Sci. 8:1999;215-221.
-
(1999)
Protein Sci
, vol.8
, pp. 215-221
-
-
Scheib, H.1
Pleiss, J.2
Kovac, A.3
Paltauf, F.4
Schmid, R.D.5
-
23
-
-
0033617160
-
Fidelity in hapten design: How analogous are phosphonate haptens to the transition states for alkaline hydrolysis of aryl esters
-
Tantillo D.J., Houk K.N. Fidelity in hapten design: how analogous are phosphonate haptens to the transition states for alkaline hydrolysis of aryl esters. J Org Chem. 64:1999;3066-3076.
-
(1999)
J Org Chem
, vol.64
, pp. 3066-3076
-
-
Tantillo, D.J.1
Houk, K.N.2
-
24
-
-
0033553105
-
Rationalization of the enantioselectivity of subtilisin in DMF
-
A state-of-the-art attempt to quantitatively predict enantioselectivity. The study uses an improved partial charge calculation for the transition state and free energy calculations
-
Colombo G., Toba S., Merz K.M. Jr. Rationalization of the enantioselectivity of subtilisin in DMF. J Am Chem Soc. 121:1999;3486-3493. A state-of-the-art attempt to quantitatively predict enantioselectivity. The study uses an improved partial charge calculation for the transition state and free energy calculations.
-
(1999)
J Am Chem Soc
, vol.121
, pp. 3486-3493
-
-
Colombo, G.1
Toba, S.2
Merz K.M., Jr.3
-
25
-
-
0023752675
-
An analysis of current methodologies for conformational searching of complex molecules
-
Howard A.E., Kollman P.A. An analysis of current methodologies for conformational searching of complex molecules. J Med Chem. 31:1998;1669-1675.
-
(1998)
J Med Chem
, vol.31
, pp. 1669-1675
-
-
Howard, A.E.1
Kollman, P.A.2
-
26
-
-
0032423369
-
Simple conformation space search protocols for the evaluation of enantioselectivity of lipases
-
Orrenius C., van Heusden C., van Ruiten J., Overbeeke P.L.A., Kierkels H., Duine J.A., Jongejan J.A. Simple conformation space search protocols for the evaluation of enantioselectivity of lipases. Protein Eng. 11:1998;1147-1153.
-
(1998)
Protein Eng
, vol.11
, pp. 1147-1153
-
-
Orrenius, C.1
Van Heusden, C.2
Van Ruiten, J.3
Overbeeke, P.L.A.4
Kierkels, H.5
Duine, J.A.6
Jongejan, J.A.7
-
27
-
-
0031965757
-
Chiral recognition of alcohol enantiomers in acyl transfer reactions catalysed by Candida antarctica lipase B
-
Orrenius C., Høffner F., Rotticci D., Ohrner N., Norin T., Hult K. Chiral recognition of alcohol enantiomers in acyl transfer reactions catalysed by Candida antarctica lipase B. Biocatal Biotransform. 16:1998;1-15.
-
(1998)
Biocatal Biotransform
, vol.16
, pp. 1-15
-
-
Orrenius, C.1
Høffner, F.2
Rotticci, D.3
Ohrner, N.4
Norin, T.5
Hult, K.6
-
28
-
-
0000298405
-
Molecular recognition of sec-alcohol enantiomers by Candida antarctica lipase B
-
Rotticci D., Høffner F., Orrenius C., Norin T., Hult K. Molecular recognition of sec-alcohol enantiomers by Candida antarctica lipase B. J Mol Catal B. 5:1998;267-272.
-
(1998)
J Mol Catal B
, vol.5
, pp. 267-272
-
-
Rotticci, D.1
Høffner, F.2
Orrenius, C.3
Norin, T.4
Hult, K.5
-
29
-
-
0031887073
-
Molecular modeling of the enantioselectivity in lipase-catalyzed transesterification reactions
-
A careful attempt to predict enantioselectivity quantitatively. Subsets of amino-acid residues that interact with substrates are defined
-
Haeffner F., Norin T., Hult K. Molecular modeling of the enantioselectivity in lipase-catalyzed transesterification reactions. Biophys J. 74:1998;1251-1262. A careful attempt to predict enantioselectivity quantitatively. Subsets of amino-acid residues that interact with substrates are defined.
-
(1998)
Biophys J
, vol.74
, pp. 1251-1262
-
-
Haeffner, F.1
Norin, T.2
Hult, K.3
-
30
-
-
0000698454
-
Effects of substrate structure on lipase-catalyzed transesterification of ω-substituted 1-alkanols in organic solvents
-
Nakamura K., Kawasaki M., Ohno A. Effects of substrate structure on lipase-catalyzed transesterification of ω-substituted 1-alkanols in organic solvents. Bull Chem Soc Jpn. 67:1994;3053-3056.
-
(1994)
Bull Chem Soc Jpn
, vol.67
, pp. 3053-3056
-
-
Nakamura, K.1
Kawasaki, M.2
Ohno, A.3
-
31
-
-
0001281756
-
Lipase-catalyzed transesterification of aryl-substituted alkanols in an organic solvent
-
Nakamura K., Kawasaki M., Ohno A. Lipase-catalyzed transesterification of aryl-substituted alkanols in an organic solvent. Bull Chem Soc Jpn. 69:1996;1079-1085.
-
(1996)
Bull Chem Soc Jpn
, vol.69
, pp. 1079-1085
-
-
Nakamura, K.1
Kawasaki, M.2
Ohno, A.3
-
33
-
-
0032894468
-
The temperature dependence of enzymatic kinetic resolutions reveals the relative contribution of enthalpy and entropy to enzymatic enantioselectivity
-
Overbeeke P.L.A., Ottosson J., Hult K., Jongejan J.A., Duine J.A. The temperature dependence of enzymatic kinetic resolutions reveals the relative contribution of enthalpy and entropy to enzymatic enantioselectivity. Biocatal Biotransform. 17:1999;61-79.
-
(1999)
Biocatal Biotransform
, vol.17
, pp. 61-79
-
-
Overbeeke, P.L.A.1
Ottosson, J.2
Hult, K.3
Jongejan, J.A.4
Duine, J.A.5
-
34
-
-
0032054675
-
Computational alchemy to calculate absolute protein-ligand binding free energy
-
Helms V., Wade R.C. Computational alchemy to calculate absolute protein-ligand binding free energy. J Am Chem Soc. 120:1998;2710-2713.
-
(1998)
J Am Chem Soc
, vol.120
, pp. 2710-2713
-
-
Helms, V.1
Wade, R.C.2
-
35
-
-
0033568644
-
Computational alanine scanning to probe protein-protein interactions: A novel approach to evaluate binding free energies
-
Massova I., Kollman P.A. Computational alanine scanning to probe protein-protein interactions: a novel approach to evaluate binding free energies. J Am Chem Soc. 121:1999;8133-8143.
-
(1999)
J Am Chem Soc
, vol.121
, pp. 8133-8143
-
-
Massova, I.1
Kollman, P.A.2
-
36
-
-
2642622572
-
Combined ab initio and free energy calculations to study reactions in enzymes and solution - amide hydrolysis in trypsin and aqueous solution
-
Stanton R.V., Perakyla M., Bakowies D., Kollman P.A. Combined ab initio and free energy calculations to study reactions in enzymes and solution - amide hydrolysis in trypsin and aqueous solution. J Am Chem Soc. 120:1998;3448-3457.
-
(1998)
J Am Chem Soc
, vol.120
, pp. 3448-3457
-
-
Stanton, R.V.1
Perakyla, M.2
Bakowies, D.3
Kollman, P.A.4
-
37
-
-
0032549599
-
Molecular-modeling calculations of enzymic enantioselectivity taking hydration into account
-
Ke T., Tidor B., Klibanov A.M. Molecular-modeling calculations of enzymic enantioselectivity taking hydration into account. Biotechnol Bioeng. 57:1998;741-745.
-
(1998)
Biotechnol Bioeng
, vol.57
, pp. 741-745
-
-
Ke, T.1
Tidor, B.2
Klibanov, A.M.3
-
38
-
-
0032513720
-
Insights into the solvent dependence of chymotryptic prochiral selectivity
-
Ke T., Klibanov A.M. Insights into the solvent dependence of chymotryptic prochiral selectivity. J Am Chem Soc. 120:1998;4259-4263.
-
(1998)
J Am Chem Soc
, vol.120
, pp. 4259-4263
-
-
Ke, T.1
Klibanov, A.M.2
-
39
-
-
0032499234
-
Application of structure-based thermodynamic calculations to the rationalization of the enantioselectivity of subtilisin in organic solvents
-
Colombo G., Ottolina G., Carrea G., Bernardi A., Scolastico C. Application of structure-based thermodynamic calculations to the rationalization of the enantioselectivity of subtilisin in organic solvents. Tetrahedron - Asymmetry. 9:1998;1205-1214.
-
(1998)
Tetrahedron - Asymmetry
, vol.9
, pp. 1205-1214
-
-
Colombo, G.1
Ottolina, G.2
Carrea, G.3
Bernardi, A.4
Scolastico, C.5
-
40
-
-
0033515039
-
Unexpected crucial role of residue 225 in serine proteases
-
Guito E.R., Caccia S., Rose T., Fütterer K., Waksman G., di Cera E. Unexpected crucial role of residue 225 in serine proteases. Proc Natl Acad Sci USA. 96:1999;1852-1858.
-
(1999)
Proc Natl Acad Sci USA
, vol.96
, pp. 1852-1858
-
-
Guito, E.R.1
Caccia, S.2
Rose, T.3
Fütterer, K.4
Waksman, G.5
Di Cera, E.6
-
41
-
-
0030586027
-
Mechanism of cyanogenesis: The crystal structure of hydroxynitrile lyase from Hevea brasiliensis
-
Wagner U.G., Hasslacher M., Griengl H., Schwab H., Kratky C. Mechanism of cyanogenesis: the crystal structure of hydroxynitrile lyase from Hevea brasiliensis. Structure. 4:1996;811-822.
-
(1996)
Structure
, vol.4
, pp. 811-822
-
-
Wagner, U.G.1
Hasslacher, M.2
Griengl, H.3
Schwab, H.4
Kratky, C.5
-
42
-
-
0032847750
-
Atomic resolution crystal structure of hydroxynitrile lyase from Hevea brasiliensis
-
Gruber K., Gugganig M., Wagner U.G., Kratky C. Atomic resolution crystal structure of hydroxynitrile lyase from Hevea brasiliensis. Biol Chem. 380:1999;993-1000.
-
(1999)
Biol Chem
, vol.380
, pp. 993-1000
-
-
Gruber, K.1
Gugganig, M.2
Wagner, U.G.3
Kratky, C.4
-
43
-
-
0032852375
-
Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis
-
Zuegg J., Gruber K., Gugganig M., Wagner U.G., Kratky C. Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis. Protein Sci. 8:1999;1990-2000.
-
(1999)
Protein Sci
, vol.8
, pp. 1990-2000
-
-
Zuegg, J.1
Gruber, K.2
Gugganig, M.3
Wagner, U.G.4
Kratky, C.5
-
44
-
-
0032524127
-
Structure of an aromatic-ring-hydroxylating dioxygenase - naphthalene 1,2-dioxygenase
-
Kauppi B., Lee K., Carredano E., Parales R.E., Gibson D.T., Eklund H., Ramaswamy S. Structure of an aromatic-ring-hydroxylating dioxygenase - naphthalene 1,2-dioxygenase. Structure. 6:1998;571-586.
-
(1998)
Structure
, vol.6
, pp. 571-586
-
-
Kauppi, B.1
Lee, K.2
Carredano, E.3
Parales, R.E.4
Gibson, D.T.5
Eklund, H.6
Ramaswamy, S.7
-
45
-
-
0001846314
-
Enzymatic dihydroxylation of aromatics in enantioselective synthesis: Expanding asymmetric methodology
-
Hudlicky T., Gonzalez D., Gibson D.T. Enzymatic dihydroxylation of aromatics in enantioselective synthesis: expanding asymmetric methodology. Aldrichimica Acta. 32:1999;35-62.
-
(1999)
Aldrichimica Acta
, vol.32
, pp. 35-62
-
-
Hudlicky, T.1
Gonzalez, D.2
Gibson, D.T.3
-
46
-
-
0033486085
-
Theozymes for intramolecular ring cyclization reactions
-
Coxon J.M., Thorpe A.J. Theozymes for intramolecular ring cyclization reactions. J Am Chem Soc. 121:1999;10955-10957.
-
(1999)
J Am Chem Soc
, vol.121
, pp. 10955-10957
-
-
Coxon, J.M.1
Thorpe, A.J.2
|