-
2
-
-
0032479388
-
-
(a) Schmid, R. D.; Verger, R. Angew. Chem., Int. Ed. Engl. 1998, 37, 1608-1633.
-
(1998)
Angew. Chem., Int. Ed. Engl.
, vol.37
, pp. 1608-1633
-
-
Schmid, R.D.1
Verger, R.2
-
5
-
-
4243794106
-
-
(a) Santaniello, E.; Ferraboschi, P.; Grisenti, P.; Manzocci, A. Chem. Rev. 1992, 92, 1071-1140.
-
(1992)
Chem. Rev.
, vol.92
, pp. 1071-1140
-
-
Santaniello, E.1
Ferraboschi, P.2
Grisenti, P.3
Manzocci, A.4
-
6
-
-
0031561446
-
-
(b) Itoh, T.; Takagi, Y.; Tsukube, H. J. Mol. Catal. B: Enzymol. 1997, 3, 259-270.
-
(1997)
J. Mol. Catal. B: Enzymol.
, vol.3
, pp. 259-270
-
-
Itoh, T.1
Takagi, Y.2
Tsukube, H.3
-
7
-
-
0030933545
-
-
(a) Gotor, V.; Limeres, F. L.; García, M. J.; Bayod, M.; Brieva, R. Tetrahedron: Asymmetry 1997, 8, 995-997.
-
(1997)
Tetrahedron: Asymmetry
, vol.8
, pp. 995-997
-
-
Gotor, V.1
Limeres, F.L.2
García, M.J.3
Bayod, M.4
Brieva, R.5
-
8
-
-
0030575815
-
-
(a) Hoff, B. A.; Waagen, V.; Anthonsen, T. Tetrahedron: Asymmetry 1996, 7, 3181-3186.
-
(1996)
Tetrahedron: Asymmetry
, vol.7
, pp. 3181-3186
-
-
Hoff, B.A.1
Waagen, V.2
Anthonsen, T.3
-
9
-
-
0027425986
-
-
(a) García, M. J.; Rebolledo, F.; Gotor, V. Tetrahedron: Asymmetry 1993, 4, 2199-2110.
-
(1993)
Tetrahedron: Asymmetry
, vol.4
, pp. 2199-12110
-
-
García, M.J.1
Rebolledo, F.2
Gotor, V.3
-
10
-
-
0030271174
-
-
(b) Öhrner, N.; Orrenius, C.; Mattson, A.; Norin, T.; Hult, K. Enzyme Microb. Technol. 1996, 19, 328-331.
-
(1996)
Enzyme Microb. Technol.
, vol.19
, pp. 328-331
-
-
Öhrner, N.1
Orrenius, C.2
Mattson, A.3
Norin, T.4
Hult, K.5
-
11
-
-
0039589259
-
-
(c) Sánchez, V. M.; Rebolledo, F.; Gotor, V. Tetrahedron: Asymmetry 1997, 8, 37-40.
-
(1997)
Tetrahedron: Asymmetry
, vol.8
, pp. 37-40
-
-
Sánchez, V.M.1
Rebolledo, F.2
Gotor, V.3
-
12
-
-
0342762014
-
-
(d) Iglesias, L. E.; Sánchez, V. M.; Rebolledo, F.; Gotor, V. Tetrahedron: Asymmetry 1997, 8, 2675-2677.
-
(1997)
Tetrahedron: Asymmetry
, vol.8
, pp. 2675-2677
-
-
Iglesias, L.E.1
Sánchez, V.M.2
Rebolledo, F.3
Gotor, V.4
-
14
-
-
0030208487
-
-
(b) Ma, D.; Ma, J.; Ding, W.; Dai, L. Tetrahedron: Asymmetry 1996, 7, 2365.
-
(1996)
Tetrahedron: Asymmetry
, vol.7
, pp. 2365
-
-
Ma, D.1
Ma, J.2
Ding, W.3
Dai, L.4
-
15
-
-
0345225165
-
-
(a) Klaver, W. J.; Hiemstra, H.; Speckamp, W. N. J. Am. Chem. Soc. 1989, 11, 2588.
-
(1989)
J. Am. Chem. Soc.
, vol.11
, pp. 2588
-
-
Klaver, W.J.1
Hiemstra, H.2
Speckamp, W.N.3
-
16
-
-
0000011101
-
-
(b) Casiraghi, G.; Spanu, P.; Rassu, G.; Pinna, L.; Ulgheri, F. J. Org. Chem. 1994, 59, 2906.
-
(1994)
J. Org. Chem.
, vol.59
, pp. 2906
-
-
Casiraghi, G.1
Spanu, P.2
Rassu, G.3
Pinna, L.4
Ulgheri, F.5
-
18
-
-
0028343931
-
-
(d) Newcombe, N. J.; Ya, F.; Vijn, R. J.; Hiemstra, H.; Speckamp, W. N. J. Chem. Soc., Chem. Commun. 1994, 6, 767.
-
(1994)
J. Chem. Soc., Chem. Commun.
, vol.6
, pp. 767
-
-
Newcombe, N.J.1
Ya, F.2
Vijn, R.J.3
Hiemstra, H.4
Speckamp, W.N.5
-
19
-
-
0029073952
-
-
(e) Dittami, J. P.; Xu, F.; Qi, H.; Martin, M. W. Tetrahedron Lett. 1995, 36, 4201.
-
(1995)
Tetrahedron Lett.
, vol.36
, pp. 4201
-
-
Dittami, J.P.1
Xu, F.2
Qi, H.3
Martin, M.W.4
-
20
-
-
0029896769
-
-
(f) Shiraki, R.; Sumino, A.; Tadano, K.; Ogawa, S. J. Org. Chem. 1996, 61, 2845.
-
(1996)
J. Org. Chem.
, vol.61
, pp. 2845
-
-
Shiraki, R.1
Sumino, A.2
Tadano, K.3
Ogawa, S.4
-
22
-
-
0026562228
-
-
Koot, W.-J.; Hiemstra, H.; Speckamp, W. N. J. Org. Chem. 1992, 57, 1059.
-
(1992)
J. Org. Chem.
, vol.57
, pp. 1059
-
-
Koot, W.-J.1
Hiemstra, H.2
Speckamp, W.N.3
-
23
-
-
0029930761
-
-
Deen van der, H.; Cuiper, A. D.; Hof, R. P.; Oeveren van, A.; Feringa, B. L.; Kellogg, R. M. J. Am. Chem. Soc. 1996, 118, 3801-3803.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 3801-3803
-
-
Deen Van Der, H.1
Cuiper, A.D.2
Hof, R.P.3
Oeveren Van, A.4
Feringa, B.L.5
Kellogg, R.M.6
-
24
-
-
0028773288
-
-
(a) Uppenberg, J.; Hansen, M. T.; Patkar, S.; Jones, T. A. Structure 1994, 2, 293-308.
-
(1994)
Structure
, vol.2
, pp. 293-308
-
-
Uppenberg, J.1
Hansen, M.T.2
Patkar, S.3
Jones, T.A.4
-
25
-
-
0028039930
-
-
(b) Uppenberg, J.; Patkar, S.; Bergfors, T.; Jones, T. A. J. Mol. Biol. 1994, 235, 790-792.
-
(1994)
J. Mol. Biol.
, vol.235
, pp. 790-792
-
-
Uppenberg, J.1
Patkar, S.2
Bergfors, T.3
Jones, T.A.4
-
26
-
-
0029417196
-
-
(c) Uppenberg, J.; Öhrner, N.; Norin, M.; Hult, K.; Kleywegt, G. J.; Patkar, S.; Waagen, V.; Anthonsen, T.; Jones, T. A. Biochemistry 1995, 33, 16838-16851.
-
(1995)
Biochemistry
, vol.33
, pp. 16838-16851
-
-
Uppenberg, J.1
Öhrner, N.2
Norin, M.3
Hult, K.4
Kleywegt, G.J.5
Patkar, S.6
Waagen, V.7
Anthonsen, T.8
Jones, T.A.9
-
27
-
-
0031887073
-
-
(a) Haeffner, F.; Norin, T.; Hult, K. Biophys. J. 1998, 74, 1251-1262.
-
(1998)
Biophys. J.
, vol.74
, pp. 1251-1262
-
-
Haeffner, F.1
Norin, T.2
Hult, K.3
-
28
-
-
0031965757
-
-
(b) Orrenius, C.; Haeffner, F.; Rotticci, D.; Öhrner, N.; Norin, T.; Hult, K. Biocatal. Biotransform. 1998, 16, 1-15.
-
(1998)
Biocatal. Biotransform.
, vol.16
, pp. 1-15
-
-
Orrenius, C.1
Haeffner, F.2
Rotticci, D.3
Öhrner, N.4
Norin, T.5
Hult, K.6
-
29
-
-
0031804848
-
-
(c) Heinsman, N. W. J. T.; Orrenius, S. C.; Marcelis, C. L. M.; Sousa Teixeira de, A.; Franssen, M. C. R.; Padt van der, A.; Jongejan, J. A.; Groot de, A. E. Biocatal. Biotransform. 1998, 16, 145-162.
-
(1998)
Biocatal. Biotransform.
, vol.16
, pp. 145-162
-
-
Heinsman, N.W.J.T.1
Orrenius, S.C.2
Marcelis, C.L.M.3
Sousa Teixeira De, A.4
Franssen, M.C.R.5
Padt Van Der, A.6
Jongejan, J.A.7
Groot De, A.E.8
-
30
-
-
0000298405
-
-
(d) Rotticci, D.; Haeffner, F.; Orrenius, C.; Norin, T.; Hult, K. J. Mol Catal. B: Enzymol. 1998, 5, 267-272.
-
(1998)
J. Mol Catal. B: Enzymol.
, vol.5
, pp. 267-272
-
-
Rotticci, D.1
Haeffner, F.2
Orrenius, C.3
Norin, T.4
Hult, K.5
-
32
-
-
0343953312
-
-
(b) Lightner, D. A.; Bisacchi, G. S.; Norris, R. D. J. Am. Chem. Soc. 1976, 98, 2.
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 2
-
-
Lightner, D.A.1
Bisacchi, G.S.2
Norris, R.D.3
-
33
-
-
0343517403
-
-
(c) Lightner, D. A.; Kirk, D. I.; Norris, R. D. Heterocycl. Chem. 1974, 11, 1097-1098.
-
(1974)
Heterocycl. Chem.
, vol.11
, pp. 1097-1098
-
-
Lightner, D.A.1
Kirk, D.I.2
Norris, R.D.3
-
36
-
-
0039536480
-
-
Molecular Simulations Inc., Burlington, MA
-
QUANTA/CHARMm, version 4.0, Molecular Simulations Inc., Burlington, MA.
-
QUANTA/CHARMm, Version 4.0
-
-
-
37
-
-
0002638513
-
Protein Data Bank
-
Allen, F. H., Bergerhoff, G., Sievers, R., Eds.; Data Commission of the International Union of Crystallography: Bonn/Cambridge/Chester
-
(a)Abola, E. E.; Bernstein, F. C.; Bryant, S. H.; Koezle, T. F.; Weng, J. Protein Data Bank. In Crystallographic Databases Content, Software Systems, Scientific Applications; Allen, F. H., Bergerhoff, G., Sievers, R., Eds.; Data Commission of the International Union of Crystallography: Bonn/Cambridge/Chester, 1987; pp 107-132.
-
(1987)
Crystallographic Databases Content, Software Systems, Scientific Applications
, pp. 107-132
-
-
Abola, E.E.1
Bernstein, F.C.2
Bryant, S.H.3
Koezle, T.F.4
Weng, J.5
-
38
-
-
0017411710
-
The Protein Data Bank: A Computer-based Archival file for Macromolecular Structures
-
(b) Bernstein, F. C.; Koezle, T. F.; Williams, G. J. B.; Meyer, Jr., E. F.; Brice, M. D.; Rodgers, J. R.; Kennard, O.; Shimanouehi, T.; Tasumi, M. The Protein Data Bank: a Computer-based Archival file for Macromolecular Structures. J. Mol. Biol. 1977, 112, 535-542.
-
(1977)
J. Mol. Biol.
, vol.112
, pp. 535-542
-
-
Bernstein, F.C.1
Koezle, T.F.2
Williams, G.J.B.3
Meyer E.F., Jr.4
Brice, M.D.5
Rodgers, J.R.6
Kennard, O.7
Shimanouehi, T.8
Tasumi, M.9
-
39
-
-
85004472614
-
-
The X-ray structure of 1a will be published
-
The X-ray structure of 1a will be published in Acta Crystallogr. C.
-
Acta Crystallogr. C
-
-
-
40
-
-
0842341771
-
-
The structure of the substrate-protein complex was previously optimized with CHARMm. From this structure, residues in close contact (cutoff = 5 Å) with the substrate were selected (selected residues: Gly39, Thr40, Gly41, Thr42, Ser47, Trp104, Ser105, Gln106, Gly107, Asp134, Thr138, Val154, Gln157, Ile189, Val190, His224, Leu227, Leu278, Ala281, Ala282, Ile285). The structure was edited manually: all peptidic CO and NH at the edges of the selected residues were removed and the hydrogens were added in their place for completeness. Atomic charges for the entire system (307 atoms) were obtained at the AM1 semiemperical level (Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Steward, J. P. P. J. Am. Chem. Soc. 1985, 107, 3902) as implemented in the program Gaussian94 (Fritsch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Ciolowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Repogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Steward, J. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. GAUSSIAN 94, Revision E.2; Gaussian, Inc.: Pittsburgh, PA, 1995) .
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Steward, J.P.P.4
-
41
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
The structure of the substrate-protein complex was previously optimized with CHARMm. From this structure, residues in close contact (cutoff = 5 Å) with the substrate were selected (selected residues: Gly39, Thr40, Gly41, Thr42, Ser47, Trp104, Ser105, Gln106, Gly107, Asp134, Thr138, Val154, Gln157, Ile189, Val190, His224, Leu227, Leu278, Ala281, Ala282, Ile285). The structure was edited manually: all peptidic CO and NH at the edges of the selected residues were removed and the hydrogens were added in their place for completeness. Atomic charges for the entire system (307 atoms) were obtained at the AM1 semiemperical level (Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Steward, J. P. P. J. Am. Chem. Soc. 1985, 107, 3902) as implemented in the program Gaussian94 (Fritsch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Ciolowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Repogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Steward, J. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. GAUSSIAN 94, Revision E.2; Gaussian, Inc.: Pittsburgh, PA, 1995) .
-
(1995)
GAUSSIAN 94, Revision E.2
-
-
Fritsch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Ciolowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Repogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Steward, J.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
42
-
-
0001452822
-
Correlation of Binding Affinities with Non-bonded Interaction Energies of Thrombin-Inhibitor Complexes
-
Grootenhuis, P. D. J.; Galen van, P. Correlation of Binding Affinities with Non-bonded Interaction Energies of Thrombin-Inhibitor Complexes. Acta Crystallogr. 1995, D51, 560-566.
-
(1995)
Acta Crystallogr.
, vol.D51
, pp. 560-566
-
-
Grootenhuis, P.D.J.1
Galen Van, P.2
-
43
-
-
0033515556
-
-
The absolute configurations were determined by X-ray analysis of a pyrrolinone-iron carbonyl complex (for 1a) and by a new CD method (for 1a-e): Cuiper, A. D.; Brzostowska, M.; Gawronski, J. K.; Smeets, W. J. J.; Spek, A. L.; Hiemstra, H.; Kellogg, R. M.; Feringa, B. L. J. Org. Chem. 1999, 64, 2567-2570.
-
(1999)
J. Org. Chem.
, vol.64
, pp. 2567-2570
-
-
Cuiper, A.D.1
Brzostowska, M.2
Gawronski, J.K.3
Smeets, W.J.J.4
Spek, A.L.5
Hiemstra, H.6
Kellogg, R.M.7
Feringa, B.L.8
-
44
-
-
0000231514
-
-
Academic Press: New York
-
(a) Morrison, J. D. In Asymmetric Synthesis; Academic Press: New York, 1983; Vol. 1, p 3.
-
(1983)
Asymmetric Synthesis
, vol.1
, pp. 3
-
-
Morrison, J.D.1
-
47
-
-
0028887057
-
-
(d) Brand, S. A.; Jones, M. F.; Rayner, C. M. Tetrahedron Lett. 1995, 36, 8493-8496.
-
(1995)
Tetrahedron Lett.
, vol.36
, pp. 8493-8496
-
-
Brand, S.A.1
Jones, M.F.2
Rayner, C.M.3
-
48
-
-
0028852426
-
-
(e) Tan, D. S.; Günter, M. M.; Drueckhammer, D. G. J. Am. Chem. Soc. 1995, 117, 9093-9094.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 9093-9094
-
-
Tan, D.S.1
Günter, M.M.2
Drueckhammer, D.G.3
-
50
-
-
33751499686
-
-
Kazlauskas, R. J.; Weissfloch, A. N. E.; Rappaport, A. T.; Cuccia, L. A. J. Org. Chem. 1991, 56, 2656-2665.
-
(1991)
J. Org. Chem.
, vol.56
, pp. 2656-2665
-
-
Kazlauskas, R.J.1
Weissfloch, A.N.E.2
Rappaport, A.T.3
Cuccia, L.A.4
-
52
-
-
84907036514
-
-
Norin, M.; Hult, K.; Mattson, A.; Norin, T. Biocatalysis 1993, 7, 131-147.
-
(1993)
Biocatalysis
, vol.7
, pp. 131-147
-
-
Norin, M.1
Hult, K.2
Mattson, A.3
Norin, T.4
-
53
-
-
0027960085
-
-
Norin, M.; Haeffner, F.; Achour, A.; Norin, T.; Hult, K. Protein Sci. 1998, 3, 1493-1503.
-
(1998)
Protein Sci.
, vol.3
, pp. 1493-1503
-
-
Norin, M.1
Haeffner, F.2
Achour, A.3
Norin, T.4
Hult, K.5
-
54
-
-
0343517393
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-
Entry ILBS
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Entry ILBS.
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