清华大学：《生物核磁共振波谱学》课程教学资源（PPT课件，英文版）1.1A Remarkable field

/到 生物核磁共振波谱学 NMR in Biological Science THNMR AN

生物核磁共振波谱学 NMR in Biological Science THNMR YAN

Why learn NMr? A remarkable field One of the two leading technologies in structural biology Great contributions to biology A special window to the development of modern structural biology and biophysics THNMR AN

Why learn NMR? A remarkable field One of the two leading technologies in structural biology Great contributions to biology A special window to the development of modern structural biology and biophysics THNMR YAN

1.1A Remarkable field Nobel prize 1943年O.Stem物理学奖 测定质子磁矩 1944年.1.Rabi物理学奖 测定磁矩的共振方法 1952年FB0ch&E.M. Pruce物理学奖 发现核磁共振现象 1991年R.R.Emst化学奖 FTNMR 2D NMR THNMR AN

1.1 A Remarkable Field Nobel Prize 1943年 O. Stern 物理学奖 — 测定质子磁矩 1944年 I. I. Rabi 物理学奖 — 测定磁矩的共振方法 1952年 F.Bloch & E. M. Prucell 物理学奖 — 发现核磁共振现象 1991年 R. R. Ernst 化学奖 — FT NMR & 2D NMR THNMR YAN

1.2 One of the two leading technologies in structural biology Table 1 Annual publications of novel atomic resolution structures of proteins and nucleic acids(ref. 4) Method X-ray crystallography NMR Other methods Year (single crystals) (solution)(crystals, fibers) 1990 109 23 1991 123 36 1992 168 61 1993 207 59 1994 352 100 1995 394 102 1996 461 112 THNMR AN Ref: Wuthrich K Nature Structural Biology 5, 492-495 (1998

1.2 One of the two leading technologies in structural biology Ref: Wuthrich K. Nature Structural Biology 5, 492 - 495 (1998) THNMR YAN

1.2 One of the two leading technologies in structural biology PDB HOLDINGS (30-JUL-2001) MOLECULE TYPE EXPEREME PROTEINS, PEPTIDES. PROTEIN/NUCLEIC NUCLEIC CARBOHYD TOTAL AND VIRUSES ACID COMPLEXES ACIDS RATES NTAL TECHNIQU E X-RAY DⅠ FFRAC 11.630 580 14 12.780 TION AND OTHER NMR 1918 73 383 2.378 THEORET ICAL MODELIN TOTAL 13.836 648 986 18 15488 AN Ref: PDB ANNUAL REPORT, July 2000-June 2001

1.2 One of the two leading technologies in structural biology PDB HOLDINGS (30-JUL-2001) Ref: PDB ANNUAL REPORT, July 2000 - June 2001 MOLECULE TYPE EXPEREME NTAL TECHNIQU E PROTEINS, PEPTIDES, AND VIRUSES PROTEIN/NUCLEIC ACID COMPLEXES NUCLEIC ACIDS CARBOHYD RATES TOTAL X-RAY DIFFRAC TION AND OTHER 11,630 556 580 14 12,780 NMR 1,918 73 383 4 2,378 THEORET ICAL MODELIN G 288 19 23 0 330 TOTAL 13,836 648 986 18 15,488 THNMR YAN

Molecular weight distribution of the Nmr structures deposited in the brookhaven PDB as of December 1997 100 方60 乏z 40 Gunter P Q Rev Biophys, 31145-237(1998) Molecular weight(kDa) YAN

Molecular weight distribution of the NMR structures deposited in the Brookhaven PDB as of December 1997. Guntert P. Q Rev Biophys, 31:145-237 (1998). THNMR YAN

1.3 Great contributions to biology solution structures at atomic re solution in semi- physiological conditions dynamic properties and the properties of part ally folded or unfolded proteins weak interactions between macromolecules and ligands a practical approach to arug design Ref: WagnerG. Nature Structural Biology. 4: 841-844 (1997) THNMR AN

1.3 Great contributions to biology solution structures at atomic resolution in semi￾physiological conditions dynamic properties and the properties of partially folded or unfolded proteins weak interactions between macromoloecules and ligands a practical approach to drug design Ref: Wagner G. Nature Structural Biology. 4: 841-844 (1997) THNMR YAN

1. 4 Milestones NMR 1946-the first spectra of solid compounds 1957-the first spectra of a protein -Rnase a 1982 -the first protein spectra was assigned 1985-the first solution structure of a protein 1997-924 NMR structures in Pdb Today -over 2, 378 structures in PDB X-ray 1913-the first diffraction patterns of crystals were reported 1934-the first protein crystallized and examined-pepsin 1960-the first protein crystal structures- myoglobin, hemoglobin 1997-5012 crystals structures in PDB Today-over 12, 780 structures in PDB THNMR Ref: WagnerG. Nature Structural Biology. 4: 841-844 (1997) AN PBD ANNUAL REPORT 2001

1.4 Milestones NMR 1946 - the first spectra of solid compounds 1957 - the first spectra of a protein - RNase A 1982 - the first protein spectra was assigned 1985 - the first solution structure of a protein 1997 - 924 NMR structures in PDB Today - over 2,378 structures in PDB X-ray 1913 - the first diffraction patterns of crystals were reported 1934 - the first protein crystallized and examined - pepsin 1960 - the first protein crystal structures - myoglobin, hemoglobin 1997 - 5012 crystals structures in PDB Today - over 12,780 structures in PDB Ref: Wagner G. Nature Structural Biology. 4: 841-844 (1997) PBD ANNUAL REPORT, 2001 THNMR YAN

1. 4 Milestones X-ray 25 years older than NMr more order more mature NMR: still in a developmental stage major improvements are still being made Incomplete view using only one single techniques Ref: WagnerG. Nature Structural Biology. 4: 841-844(1997) THNMR AN

1.4 Milestones X-ray: 25 years older than NMR • more order, more mature NMR: still in a developmental stage • major improvements are still being made Incomplete view using only one single techniques Ref: Wagner G. Nature Structural Biology. 4: 841-844 (1997) THNMR YAN

NMR Applications -A-Z Agriculture; Animal Behavior; Analytic Chemistry Biomolecule NMR; Biophysics; Biotechnology Chemistry; Cells; Clinical Medicine Dynamics; Drug design and drug discovery Energy metabolism; Equilibrium-NMR studying Folding; Flexibility; Flow-NMR Graphics Hydrogen-exchange; HPLC-NMR Interactions; In Vivo Measurements; Imaging THNMR J-coupling AN

NMR Applications —— A-Z Agriculture; Animal Behavior; Analytic Chemistry Biomolecule NMR; Biophysics; Biotechnology Chemistry; Cells; Clinical Medicine; Dynamics; Drug design and drug discovery Energy metabolism; Equilibrium-NMR studying Folding; Flexibility; Flow-NMR Graphics Hydrogen-exchange; HPLC-NMR Interactions; In Vivo Measurements; Imaging J-coupling; THNMR YAN