Modern NMR spectroscopy of proteins and peptides in solution and its relevance to drug design
Tóm tắt
The knowledge of the three-dimensional (3D) structures and conformational dynamics of proteins and peptides is important for the understanding of biochemical and genetic data derived for these molecules. This understanding can ultimately be of help in drug design. We describe here the role of Nuclear Magnetic Resonance (NMR) spectroscopy in this process for three distinct situations: for small proteins, where relatively simple NMR methods can be used for full 3D structure determination; for larger proteins that require multinuclear multidimensional NMR but for which full 3D structures can still be obtained; and for small peptides that are studied in interaction with macromolecules (receptors) using specialized NMR techniques. A fourth situation, pertaining to large systems where only partial structural information can be obtained from NMR data, is briefly discussed. Molecules of interest to the biomedical field (C5a and stromelysin) are discussed as examples.
Tài liệu tham khảo
citation_title=The Nuclear Overhauser Effect: Chemical Applications; citation_publication_date=1971; citation_id=CR1; citation_author=J.H. Noggle; citation_author=R.E. Schirmer; citation_publisher=Academic Press
citation_title=Principles of Nuclear Magnetic Resonance in One and Two Dimensions; citation_publication_date=1987; citation_id=CR2; citation_author=R.R. Ernst; citation_author=G. Bodenhausen; citation_author=W.P. Aue; citation_publisher=Clarendon Press
citation_journal_title=Crit. Rev. Immunol.; citation_author=T.E. Hugli; citation_volume=1; citation_publication_date=1981; citation_pages=132-132; citation_id=CR3
citation_journal_title=Hoppe-Seyler's Z. Physiol. Chem.; citation_author=R. Huber, H. Scholtze, E.P. Paques, J. Deisenhofer; citation_volume=250; citation_publication_date=1980; citation_pages=1389-1389; citation_id=CR4
citation_title=NMR of Proteins and Nucleic Acids; citation_publication_date=1986; citation_id=CR5; citation_author=K. Wüthrich; citation_publisher=Wiley
citation_journal_title=Biochemistry; citation_author=E.R.P. Zuiderweg, K.W. Mollison, J. Henkin, G.W. Carter; citation_volume=27; citation_publication_date=1988; citation_pages=3568-3568; citation_id=CR6
citation_journal_title=Proc. Natl. Acad. Sci. USA; citation_author=E.R.P. Zuiderweg, R. Kaptein, K. Wüthrich; citation_volume=80; citation_publication_date=1983; citation_pages=5837-5837; citation_id=CR7
citation_journal_title=Q. Rev. Biophys.; citation_author=G. Wagner; citation_volume=16; citation_publication_date=1983; citation_pages=1-1; citation_id=CR8
citation_inbook_title=Frontiers of NMR in Molecular Biology; citation_publication_date=1990; citation_pages=75-87; citation_id=CR9; citation_author=E.R.P. Zuiderweg; citation_author=D.G. Nettesheim; citation_author=S.W. Fesik; citation_author=E.T. Olejniczak; citation_author=W. Mandecki; citation_author=K.W. Mollison; citation_author=J. Greer; citation_author=G.W. Carter; citation_publisher=A.R. Liss, Inc.
citation_journal_title=Biochemistry; citation_author=E.R.P. Zuiderweg, D.G. Nettesheim, K.W. Mollison, G.W. Carter; citation_volume=28; citation_publication_date=1989; citation_pages=172-172; citation_id=CR10
citation_journal_title=J. Mol. Biol.; citation_author=W. Braun, N. Gō; citation_volume=186; citation_publication_date=1985; citation_pages=611-611; citation_id=CR11
citation_journal_title=J. Biomol. NMR; citation_author=P. Guntert, K. Wüthrich; citation_volume=1; citation_publication_date=1991; citation_pages=447-447; citation_id=CR12
citation_journal_title=J. Mol. Biol.; citation_author=R. Kaptein, E.R.P. Zuiderweg, R.M. Scheek, R. Boelens, W.F. Gunsteren; citation_volume=182; citation_publication_date=1985; citation_pages=179-179; citation_id=CR13
citation_journal_title=J. Mol. Biol.; citation_author=G.M. Clore, A.T. Brünger, M. Karplus, A.M. Gronenborn; citation_volume=191; citation_publication_date=1986; citation_pages=523-523; citation_id=CR14
citation_title=XPLOR Molecular Dynamics; citation_publication_date=1991; citation_id=CR15; citation_author=A.T. Brünger; citation_publisher=Yale University
citation_journal_title=Proc. Natl. Acad. Sci. USA; citation_author=D.G. Nettesheim, R.P. Edalji, K.W. Mollison, J. Greer, E.R.P. Zuiderweg; citation_volume=85; citation_publication_date=1988; citation_pages=5036-5036; citation_id=CR16
citation_journal_title=Fed. Proc.; citation_author=R.P. Edalji, K.W. Mollison, E.R.P. Zuiderweg, T.A. Fey, R.A. Krause, R.G. Conway, L. Miller, B. Lane, J. Henkin, J. Greer, G.W. Carter; citation_volume=46; citation_publication_date=1987; citation_pages=980-980; citation_id=CR17
citation_journal_title=J. Biol. Chem.; citation_author=Z.-X. Lu, K.-F. Fok, B.W. Erickson, T.E. Hugli; citation_volume=259; citation_publication_date=1984; citation_pages=7367-7367; citation_id=CR18
citation_journal_title=Proc. Natl. Acad. Sci. USA; citation_author=K.W. Mollison, W. Mandecki, E.R.P. Zuiderweg, L. Fayer, T.A. Fey, R.A. Krause, R.G. Conway, L. Miller, R.P. Edalji, M.A. Shallcross, B. Lane, J.L. Fox, G.W. Carter; citation_volume=86; citation_publication_date=1989; citation_pages=292-292; citation_id=CR19
citation_journal_title=FASEB J.; citation_author=J.F. Woessner; citation_volume=5; citation_publication_date=1991; citation_pages=2145-2145; citation_id=CR20
citation_journal_title=BioEssays; citation_author=L.M. Matrisian; citation_volume=14; citation_publication_date=1992; citation_pages=455-455; citation_id=CR21
citation_journal_title=Nature; citation_author=P. Basset, J.P. Belloca, C. Wolf, I. Stoll, P. Hutin, J.M. Limacher, O.Y. Podhajces, M.P. Chenard, M.C. Rio, P. Chambon; citation_volume=348; citation_publication_date=1990; citation_pages=69-69; citation_id=CR22
citation_journal_title=Bull. Cancer; citation_author=C. Clavel, M. Polette, M. Doco, I. Benninger, P. Berembaut; citation_volume=79; citation_publication_date=1992; citation_pages=261-261; citation_id=CR23
citation_journal_title=Cancer Metastasis Rev.; citation_author=W.G. Stetler-Stevenson; citation_volume=2; citation_publication_date=1990; citation_pages=289-289; citation_id=CR24
citation_journal_title=Invasion Metastasis; citation_author=M. Polette, C. Clavel, D. Muller, J. Abecassis, I. Binninger, P. Birembaut; citation_volume=11; citation_publication_date=1991; citation_pages=76-76; citation_id=CR25
citation_journal_title=J. Oral Pathol. Med.; citation_author=J. Kusukawa, Y. Sasaguri, I. Shima, T. Kameyama, M. Morimtsu; citation_volume=21; citation_publication_date=1992; citation_pages=221-221; citation_id=CR26
citation_journal_title=Cancer Res.; citation_author=T. Sreenath, L.H. Matrisian, W. Stetler-Stevenson, S. Gattoni-Celli, R.O. Pozatti; citation_volume=52; citation_publication_date=1992; citation_pages=4942-4942; citation_id=CR27
citation_journal_title=Int. J. Cancer; citation_author=G. Engel, P. Popowicz, H. Norling, C. Svensson, G. Auer, G. Akusjarvi, S. Linder; citation_volume=51; citation_publication_date=1992; citation_pages=761-761; citation_id=CR28
citation_journal_title=Arthritis Rheum.; citation_author=L.A. Walakovits, V.L. Moore, N. Bhardwaj, G.S. Gallick, M.W. Lark; citation_volume=35; citation_publication_date=1992; citation_pages=35-35; citation_id=CR29
citation_journal_title=Lab. Invest.; citation_author=Y. Okada, M. Shinmei, O. Tanaka, K. Naka, A. Kimura, I. Nakanishi, M.T. Bayliss, K. Iwata, H. Nagase; citation_volume=66; citation_publication_date=1992; citation_pages=680-680; citation_id=CR30
citation_journal_title=Biochemistry; citation_author=H. Nagase, J.J. Enghild, K. Suzuki, G. Salvesen; citation_volume=29; citation_publication_date=1990; citation_pages=5783-5783; citation_id=CR31
citation_journal_title=Biochem. J.; citation_author=I.M. Clark, T.E. Cawston; citation_volume=263; citation_publication_date=1989; citation_pages=201-201; citation_id=CR32
citation_journal_title=Biochemistry; citation_author=Q.-Z. Ye, L.L. Johnson, D.J. Hupe, V. Baragi; citation_volume=31; citation_publication_date=1992; citation_pages=11231-11231; citation_id=CR33
citation_journal_title=Biochemistry; citation_author=A.I. Marcy, L.L. Eiberger, R. Harrison, H.K. Chan, N.I. Hutchinson, W.K. Hagmann, P.M. Cameron, D.A. Boulton, J.D. Hermes; citation_volume=30; citation_publication_date=1991; citation_pages=6476-6476; citation_id=CR34
citation_journal_title=Q. Rev. Biophys.; citation_author=S.W. Fesik, E.R.P. Zuiderweg; citation_volume=23; citation_publication_date=1990; citation_pages=97-97; citation_id=CR35
citation_journal_title=J. Magn. Reson.; citation_author=S.W. Fesik, E.R.P. Zuiderweg; citation_volume=78; citation_publication_date=1988; citation_pages=588-588; citation_id=CR36
citation_journal_title=Biochemistry; citation_author=D. Marion, P.C. Driscoll, L.E. Kay, P.T. Wingfield, A. Bax, A.M. Gronenborn, G.M. Clore; citation_volume=28; citation_publication_date=1989; citation_pages=6150-6150; citation_id=CR37
citation_journal_title=Biochemistry; citation_author=E.R.P. Zuiderweg, S.W. Fesik; citation_volume=28; citation_publication_date=1989; citation_pages=2387-2387; citation_id=CR38
citation_journal_title=Prog. NMR Spectrosc.; citation_author=G.M. Clore, A.M. Gronenborn; citation_volume=23; citation_publication_date=1991; citation_pages=43-43; citation_id=CR39
citation_journal_title=J. Magn. Reson.; citation_author=E.R.P. Zuiderweg, L.P. McIntosh, F.W. Dahlquist, S.W. Fesik; citation_volume=86; citation_publication_date=1990; citation_pages=210-210; citation_id=CR40
citation_journal_title=Science; citation_author=L.E. Kay, G.M. Clore, A. Bax, A.M. Gronenborn; citation_volume=249; citation_publication_date=1990; citation_pages=411-411; citation_id=CR41
citation_journal_title=Biochemistry; citation_author=G.M. Clore, L.E. Kay, A. Bax, A.M. Gronenborn; citation_volume=30; citation_publication_date=1991; citation_pages=12-12; citation_id=CR42
citation_journal_title=J. Am. Chem. Soc.; citation_author=E.R.P. Zuiderweg, A.M. Petros, S.W. Fesik, E.T. Olejniczak; citation_volume=113; citation_publication_date=1991; citation_pages=370-370; citation_id=CR43
citation_journal_title=Biochemistry; citation_author=M. Ikura, L.E. Kay, A. Bax; citation_volume=29; citation_publication_date=1990; citation_pages=4659-4659; citation_id=CR44
citation_journal_title=Biochemistry; citation_author=S. Grzesiek, H. Dobeli, R. Gentz, G. Garotta, A.M. Labhardt, A. Bax; citation_volume=31; citation_publication_date=1992; citation_pages=8180-8180; citation_id=CR45
citation_journal_title=J. Magn. Reson.; citation_author=S. Grzesiek, A. Bax; citation_volume=96; citation_publication_date=1992; citation_pages=432-432; citation_id=CR46
citation_journal_title=Biochemistry; citation_author=R.T. Clubb, V. Thanabal, C. Osborne, G. Wagner; citation_volume=30; citation_publication_date=1991; citation_pages=7718-7718; citation_id=CR47
citation_journal_title=J. Am. Chem. Soc.; citation_author=W. Boucher, E.D. Laue, S. Campbell-Burk, P.J. Domaille; citation_volume=114; citation_publication_date=1992; citation_pages=2262-2262; citation_id=CR48
citation_journal_title=Methods Enzymol.; citation_author=D.C. Muchmore, L.P. McIntosh, C.B. Russell, D.E. Anderson, F.W. Dahlquist; citation_volume=177; citation_publication_date=1989; citation_pages=44-44; citation_id=CR49
Van Doren, S.R., Kurochkin, A.V., Ye, Q.-Z., Johnson, L.L., Hupe, D.J. and Zuiderweg, E.R.P., Biochemistry, 1993, in press.
citation_journal_title=J. Magn. Reson.; citation_author=J.W. Peng, G. Wagner; citation_volume=98; citation_publication_date=1992; citation_pages=308-308; citation_id=CR51
citation_journal_title=J. Am. Chem. Soc.; citation_author=S.W. Fesik, H.L. Eaton, E.T. Olejniczak, E.R.P. Zuiderweg, L.P. McIntosh, F.W. Dahlquist; citation_volume=112; citation_publication_date=1990; citation_pages=886-886; citation_id=CR52
citation_journal_title=J. Magn. Reson.; citation_author=A. Bax, G.M. Clore, P.C. Driscoll, A.M. Gronenborn, M. Ikura, L.E. Kay; citation_volume=87; citation_publication_date=1990; citation_pages=620-620; citation_id=CR53
citation_journal_title=J. Biomol. NMR; citation_author=A. Majumdar, H. Wang, R. Morshauser, E.R.P. Zuiderweg; citation_volume=3; citation_publication_date=1993; citation_pages=387-387; citation_id=CR54
citation_journal_title=J. Am. Chem. Soc.; citation_author=S. Grzesiek, A. Bax; citation_volume=114; citation_publication_date=1992; citation_pages=6291-6291; citation_id=CR55
citation_journal_title=J. Magn. Reson.; citation_author=S. Grzesiek, A. Anglister, A. Bax; citation_volume=101; citation_publication_date=1993; citation_pages=114-114; citation_id=CR56
citation_journal_title=Science; citation_author=M. Ikura, G.M. Clore, A. Gronenborn, G. Zhu, C.B. Klee, A. Bax; citation_volume=256; citation_publication_date=1992; citation_pages=632-632; citation_id=CR57
citation_journal_title=Biochemistry; citation_author=G.M. Clore, P.T. Wingfield, A.M. Gronenborn; citation_volume=30; citation_publication_date=1991; citation_pages=2315-2315; citation_id=CR58
citation_journal_title=Nature; citation_author=Y. Theriault, T.M. Logan, R. Meadows, L. Yu, E.T. Olejniczak, T.F. Holzman, R.L. Simmer, S.W. Fesik; citation_volume=361; citation_publication_date=1993; citation_pages=88-88; citation_id=CR59
citation_journal_title=J. Magn. Reson.; citation_author=G.T. Montelione, G. Wagner; citation_volume=87; citation_publication_date=1990; citation_pages=183-183; citation_id=CR60
citation_journal_title=Science; citation_author=S.W. Fesik, R.T. Gampe, T.F. Holzman, D.A. Egan, R. Edalji, J.R. Luly, R. Simmer, R. Helfrich, V. Kishore, D.H. Rich; citation_volume=250; citation_publication_date=1990; citation_pages=1406-1406; citation_id=CR61
citation_journal_title=J. Magn. Reson.; citation_author=G.M. Clore, A.M. Gronenborn; citation_volume=53; citation_publication_date=1983; citation_pages=423-423; citation_id=CR62
citation_journal_title=Biochem. Pharmacol.; citation_author=A.M. Gronenborn, G.M. Clore; citation_volume=40; citation_publication_date=1990; citation_pages=115-115; citation_id=CR63
citation_journal_title=Proc. Natl. Acad. Sci. USA; citation_author=R.W. Behling, T. Yamana, G. Navon, L.W. Jelinsky; citation_volume=85; citation_publication_date=1988; citation_pages=6721-6721; citation_id=CR64
citation_journal_title=Biochemistry; citation_author=S.W. Fesik; citation_volume=27; citation_publication_date=1988; citation_pages=8297-8297; citation_id=CR65
citation_journal_title=Proc. Natl. Acad. Sci. USA; citation_author=S.H. Seeholzer, M. Cohn, J.A. Putkey, A.R. Means, H.L. Crespi; citation_volume=83; citation_publication_date=1986; citation_pages=3634-3634; citation_id=CR66
citation_journal_title=Biochem. Pharmacol.; citation_author=S.W. Fesik, E.R.P. Zuiderweg, E.T. Olejniczak, R.T. Gampe; citation_volume=40; citation_publication_date=1990; citation_pages=161-161; citation_id=CR67
citation_journal_title=J. Magn. Reson.; citation_author=G. Otting, H. Senn, G. Wagner, K. Wüthrich; citation_volume=70; citation_publication_date=1986; citation_pages=500-500; citation_id=CR68
citation_journal_title=J. Appl. Crystallogr.; citation_author=P.J. Kraulis; citation_volume=24; citation_publication_date=1991; citation_pages=946-946; citation_id=CR69
citation_journal_title=Helv. Chim. Acta; citation_author=H.R. Loosli, H. Kessler, H. Oschkinat, H.P. Weber, T.J. Petcher, A. Widmer; citation_volume=68; citation_publication_date=1985; citation_pages=682-682; citation_id=CR70
Fesik, S.W., 206th American Chemical Society National Meeting, Chicago, 1993.
