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Angewandte Chemie (International Edition in English)

Volumn 39, Issue 22 SUPPL., 2000, Pages 255-261

Shape complementarity, binding-site dynamics, and transition state stabilization: A theoretical study of Diels-Alder catalysis by antibody 1E9

(5) Chen, Jiangang a Deng, Qiaolin a Wang, Renxiao a Houk, Kendall N a Hilvert, Donald b

a UNIVERSITY OF CALIFORNIA (United States)

b ETH ZURICH (Switzerland)

Author keywords

Catalytic antibodies; Diels Alder reactions; Molecular docking; Molecular dynamics; Protein ligand interactions; Transition states

Indexed keywords

CATALYTIC ANTIBODY; LIGAND; MEMBRANE PROTEIN; SRPR PROTEIN, HUMAN;

ANTIBODY COMBINING SITE; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; COMPUTER SIMULATION; CONFORMATION; CYCLIZATION; HUMAN; IMMUNOLOGY; METABOLISM; PHYSIOLOGY; THEORETICAL MODEL;

ANTIBODIES, CATALYTIC; BINDING SITES, ANTIBODY; COMPUTER SIMULATION; CYCLIZATION; HUMANS; LIGANDS; MEMBRANE PROTEINS; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR CONFORMATION;

EID: 0034681063 PISSN: 05700833 EISSN: None Source Type: Journal
DOI: None Document Type: Article

Times cited : (47)

References (29)

1
- 0039930587
- U. Pindur, G. Lutz, C. Otto, Chem. Rev. 1993, 93, 741.
- (1993) Chem. Rev. , vol.93 , pp. 741
- Pindur, U.¹ Lutz, G.² Otto, C.³

2
- 0000738179
- S. Laschat, Angew. Chem. 1996, 108, 313; Angew. Chem. Int. Ed. Engl. 1996, 35, 289.
- (1996) Angew. Chem. , vol.108 , pp. 313
- Laschat, S.¹

3
- 33748585807
- S. Laschat, Angew. Chem. 1996, 108, 313; Angew. Chem. Int. Ed. Engl. 1996, 35, 289.
- (1996) Angew. Chem. Int. Ed. Engl. , vol.35 , pp. 289

4
- 0025730616
- R. A. Lerner, S. J. Benkovic, P. G. Schultz, Science 1991, 252, 659.
- (1991) Science , vol.252 , pp. 659
- Lerner, R.A.¹ Benkovic, S.J.² Schultz, P.G.³

5
- 0028817877
- P. G. Schultz, R. A. Lerner, Science 1995, 269, 1835.
- (1995) Science , vol.269 , pp. 1835
- Schultz, P.G.¹ Lerner, R.A.²

6
- 0033791659
- a) D. Hilvert, Annu. Rev. Biochem. 2000, 69, 751;
- (2000) Annu. Rev. Biochem. , vol.69 , pp. 751
- Hilvert, D.¹

7
- 53149142805
- b) D. Hilvert, Top. Stereochem. 1999, 22, 83.
- (1999) Top. Stereochem. , vol.22 , pp. 83
- Hilvert, D.¹

8
- 0031765407
- H. Oikawa, T. Kobayashi, K. Katayama, Y. Suzuki, A. Ichihara, J. Org. Chem. 1998, 63, 8748.
- (1998) J. Org. Chem. , vol.63 , pp. 8748
- Oikawa, H.¹ Kobayashi, T.² Katayama, K.³ Suzuki, Y.⁴ Ichihara, A.⁵

9
- 0024845781
- D. Hilvert, K. W. Hill, K. D. Nared, M.-T. M. Auditor, J. Am. Chem. Soc. 1989, 111, 9261.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 9261
- Hilvert, D.¹ Hill, K.W.² Nared, K.D.³ Auditor, M.-T.M.⁴

10
- 0033579299
- a) J. Xu, Q. Deng, J. Chen, K. N. Houk, J. Bartek, D. Hilvert, I. A. Wilson, Science 1999, 286, 2345;
- (1999) Science , vol.286 , pp. 2345
- Xu, J.¹ Deng, Q.² Chen, J.³ Houk, K.N.⁴ Bartek, J.⁵ Hilvert, D.⁶ Wilson, I.A.⁷

11
- 0032549734
- b) For the study of a related Diels - Alder reaction catalyzed by 13G5, see: A. Heine, E. A. Stura, J. T. Yli Kauhaluoma, C. S. Gao, Q. L. Deng, B. R. Beno, K. N. Houk, K. D. Janda, I. A. Wilson, Science 1998, 279, 1934.
- (1998) Science , vol.279 , pp. 1934
- Heine, A.¹ Stura, E.A.² Yli Kauhaluoma, J.T.³ Gao, C.S.⁴ Deng, Q.L.⁵ Beno, B.R.⁶ Houk, K.N.⁷ Janda, K.D.⁸ Wilson, I.A.⁹

12
- 0004133516
- Gaussian Inc., Pittsburgh, PA
- M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. A. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Brinkley, D. J. Defrees, J. Bakwe, J. P. Stewart, M. Head-Gordon, C. Gonzalez, J. A. Pople, Gaussian 94, Gaussian Inc., Pittsburgh, PA, 1995.
- (1995) Gaussian 94
- Frisch, 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 Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

13
- 11644261806
- G. M. Morris, D. S. Goodsell, R. S. Halliday, R. Huey, W. E. Hart, R. K. Below, A. J. Olson, J. Comput. Chem. 1998, 19, 1639.
- (1998) J. Comput. Chem. , vol.19 , pp. 1639
- Morris, G.M.¹ Goodsell, D.S.² Halliday, R.S.³ Huey, R.⁴ Hart, W.E.⁵ Below, R.K.⁶ Olson, A.J.⁷

14
- 84986492477
- B. H. Besler, K. M. Merz, P. A. Kollman, J. Comput. Chem. 1990, 11, 431.
- (1990) J. Comput. Chem. , vol.11 , pp. 431
- Besler, B.H.¹ Merz, K.M.² Kollman, P.A.³

15
- 0028155689
- a) J. Åqvist, C. Medina, J. E. Samuelsson, Protein Eng. 1994, 7, 385;
- (1994) Protein Eng. , vol.7 , pp. 385
- Åqvist, J.¹ Medina, C.² Samuelsson, J.E.³

16
- 0026596911
- b) F. S. Lee, Z. T. Chu, M. B. Bolger, A. Warshel, Protein Eng. 1992, 5, 215-228;
- (1992) Protein Eng. , vol.5 , pp. 215-228
- Lee, F.S.¹ Chu, Z.T.² Bolger, M.B.³ Warshel, A.⁴

17
- 0001389474
- H. A. Carlson, W. L. Jorgensen, J. Phys. Chem. 1995, 99, 10667.
- (1995) J. Phys. Chem. , vol.99 , pp. 10667
- Carlson, H.A.¹ Jorgensen, W.L.²

18
- 0028945948
- J. Åqvist, S. M. Mowbray, J. Biol. Chem. 1995, 270, 9978.
- (1995) J. Biol. Chem. , vol.270 , pp. 9978
- Åqvist, J.¹ Mowbray, S.M.²

19
- 0001382020
- J. Åqvist, J. Comput. Chem. 1996, 17, 1587.
- (1996) J. Comput. Chem. , vol.17 , pp. 1587
- Åqvist, J.¹

20
- 0040270924
- unpublished results
- J. Chen, R. Wang, K. N. Houk, M. Taussig, unpublished results.
- Chen, J.¹ Wang, R.² Houk, K.N.³ Taussig, M.⁴

21
- 0039332204
- M. R. Haynes, M. Lenz, M. J. Taussig, I. A. Wilson, D. Hilvert, Isr. J. Chem. 1996, 36, 151.
- (1996) Isr. J. Chem. , vol.36 , pp. 151
- Haynes, M.R.¹ Lenz, M.² Taussig, M.J.³ Wilson, I.A.⁴ Hilvert, D.⁵

22
- 0004279414
- University of California, San Francisco
- D. A. Pearlman, D. A. Case, J. W. Caldwell, W. S. Ross, T. E. Cheatham III, D. M. Ferguson, G. L. Seibel, U. C. Singh, P. K. Weiner, P. A. Kollman, AMBER 4.1, University of California, San Francisco, 1995.
- (1995) AMBER 4.1
- Pearlman, D.A.¹ Case, D.A.² Caldwell, J.W.³ Ross, W.S.⁴ Cheatham T.E. III⁵ Ferguson, D.M.⁶ Seibel, G.L.⁷ Singh, U.C.⁸ Weiner, P.K.⁹ Kollman, P.A.¹⁰

23
- 0027686741
- J. H. Arevalo, M. J. Taussig, I. A. Wilson, Nature 1993, 365, 859.
- (1993) Nature , vol.365 , pp. 859
- Arevalo, J.H.¹ Taussig, M.J.² Wilson, I.A.³

24
- 0000509062
- M. I. Page, W. P. Jencks, Gazz. Chim. Ital. 1987, 117, 455.
- (1987) Gazz. Chim. Ital. , vol.117 , pp. 455
- Page, M.I.¹ Jencks, W.P.²

25
- 0000477637
- J. Hine, J. Am. Chem. Soc. 1971, 93, 3701.
- (1971) J. Am. Chem. Soc. , vol.93 , pp. 3701
- Hine, J.¹

26
- 0030887944
- J. Hermans, L. Wang, J. Am. Chem. Soc. 1997, 119, 2707.
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 2707
- Hermans, J.¹ Wang, L.²

27
- 0031754295
- a) V. K. Misra, J. L. Hecht, A. S. Yang, B. Honig, Biophys. J. 1998, 75, 2262;
- (1998) Biophys. J. , vol.75 , pp. 2262
- Misra, V.K.¹ Hecht, J.L.² Yang, A.S.³ Honig, B.⁴

28
- 0034701258
- and references therein
- b) B. Kuhn, P. A. Kollman, J. Am. Chem. Soc. 2000, 122, 2586, and references therein.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 2586
- Kuhn, B.¹ Kollman, P.A.²

29
- 0003461132
- Wiley, New York
- A. Warshel in Computer Modeling of Chemical Reactions in Enzymes and Solutions, Wiley, New York, 1991.
- (1991) Computer Modeling of Chemical Reactions in Enzymes and Solutions
- Warshel, A.¹

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