NMR studies of water bound to biological molecules

[1]  Ray Freeman,et al.  Band-selective radiofrequency pulses , 1991 .

[2]  Susumu Mori,et al.  Separation of intramolecular NOE and exchange peaks in water exchange spectroscopy using spin-echo filters , 1996, Journal of biomolecular NMR.

[3]  C N Hodge,et al.  Mapping hydration water molecules in the HIV-1 protease/DMP323 complex in solution by NMR spectroscopy. , 1996, Biochemistry.

[4]  A. Bax,et al.  Water suppression in two-dimensional spin-locked nuclear magnetic resonance experiments using a novel phase-cycling procedure , 1987 .

[5]  Malcolm H. Levitt,et al.  Demagnetization field effects in two‐dimensional solution NMR , 1996 .

[6]  K. Wüthrich,et al.  Carbon-13 nuclear magnetic resonance relaxation studies of internal mobility of the polypeptide chain in basic pancreatic trypsin inhibitor and a selectively reduced analogue. , 1980, Biochemistry.

[7]  Richard R. Ernst,et al.  Frequency offset effects and their elimination in NMR rotating-frame cross-relaxation spectroscopy , 1987 .

[8]  C. Anklin,et al.  A Probehead with Switchable Quality Factor. Suppression of Radiation Damping , 1995 .

[9]  Ray Freeman,et al.  Shaped selective pulses for coherence-transfer experiments , 1987 .

[10]  Pierre Plateau,et al.  Exchangeable proton NMR without base-line distorsion, using new strong-pulse sequences , 1982 .

[11]  Christian Griesinger,et al.  Clean TOCSY for proton spin system identification in macromolecules , 1988 .

[12]  H. T. Edzes,et al.  The nuclear magnetization as the origin of transient changes in the magnetic field in pulsed NMR experiments , 1990 .

[13]  G. Curley,et al.  Homonuclear and heteronuclear NMR studies of oxidized Desulfovibrio vulgaris flavodoxin. Sequential assignments and identification of secondary structure elements. , 1993, European journal of biochemistry.

[14]  Dalvit.  Homonuclear 1D and 2D NMR Experiments for the Observation of Solvent-Solute Interactions , 1996, Journal of magnetic resonance. Series B.

[15]  D. Wemmer,et al.  Solution NMR of water on protein surfaces , 1992, Current Biology.

[16]  T. Bhat,et al.  Bound Water Molecules at the Interface between the HIV-1 Protease and a Potent Inhibitor, KNI-272, Determined by NMR , 1996 .

[17]  G. Clore,et al.  A proton nuclear magnetic resonance study of the antihypertensive and antiviral protein BDS-I from the sea anemone Anemonia sulcata: sequential and stereospecific resonance assignment and secondary structure. , 1989, Biochemistry.

[18]  A. Bax,et al.  Water suppression using a combination of hard and soft pulses , 1987 .

[19]  V. Sklenar.  Suppression of Radiation Damping in Multidimensional NMR Experiments Using Magnetic Field Gradients , 1995 .

[20]  C. Dalvit.  New One-Dimensional Selective NMR Experiments in Aqueous Solutions Recorded with Pulsed Field Gradients , 1995 .

[21]  S. Grzesiek,et al.  The Importance of Not Saturating H2o in Protein NMR : application to Sensitivity Enhancement and Noe Measurements , 1993 .

[22]  B. Halle,et al.  Kinetics of DNA hydration. , 1997, Journal of molecular biology.

[23]  K Wüthrich,et al.  Hydration of proteins. A comparison of experimental residence times of water molecules solvating the bovine pancreatic trypsin inhibitor with theoretical model calculations. , 1993, Journal of molecular biology.

[24]  A. Gronenborn,et al.  Determination of the positions of bound water molecules in the solution structure of reduced human thioredoxin by heteronuclear three-dimensional nuclear magnetic resonance spectroscopy. , 1991, Journal of molecular biology.

[25]  W Richter,et al.  Generation of impossible cross-peaks between bulk water and biomolecules in solution NMR. , 1993, Science.

[26]  Detection of protein–ligand NOEs with small, weakly binding ligands by combined relaxation and diffusion filtering , 1997 .

[27]  O. Teleman,et al.  Molecular dynamics simulation of interfacial water structure and dynamics in a parvalbumin solution , 1988 .

[28]  Heteronuclear 3D NMR studies of water bound to an FK506 binding protein/immunosuppressant complex. , 1993, Biochemistry.

[29]  G. Otting,et al.  Studies of protein hydration in aqueous solution by direct NMR observation of individual protein-bound water molecules , 1989 .

[30]  Gottfried Otting,et al.  Polypeptide hydration in mixed solvents at low temperatures , 1992 .

[31]  Ad Bax,et al.  MLEV-17-based two-dimensional homonuclear magnetization transfer spectroscopy , 1985 .

[32]  K. Wüthrich,et al.  Contributions from hydration of carboxylate groups to the spectrum of water-polypeptide proton-proton Overhauser effects in aqueous solution , 1993, Journal of biomolecular NMR.

[33]  J. Dadok,et al.  1H nuclear magnetic resonance double resonance study of oxytocin in aqueous solution. , 1976, Biochemistry.

[34]  R. Riek,et al.  Diffusion Filters for Separation of Solvent-Protein and Protein-Protein Nuclear Overhauser Effects (HYDRA) , 1996 .

[35]  P. Wright,et al.  Water self-diffusion model for protein-water NMR cross relaxation , 1994 .

[36]  W. Richter,et al.  Imaging with intermolecular multiple-quantum coherences in solution nuclear magnetic resonance , 1995, Science.

[37]  A. Joachimiak,et al.  Crystal structure of trp represser/operator complex at atomic resolution , 1988, Nature.

[38]  B. Farmer,et al.  Relay artifacts in ROESY spectra , 1987 .

[39]  V. Saudek,et al.  Gradient-tailored excitation for single-quantum NMR spectroscopy of aqueous solutions , 1992, Journal of biomolecular NMR.

[40]  K Wüthrich,et al.  Protein hydration in aqueous solution. , 1992, Faraday discussions.

[41]  C. Dalvit,et al.  New pulsed field gradient NMR experiments for the detection of bound water in proteins , 1995, Journal of biomolecular NMR.

[42]  G. Otting,et al.  Protein Hydration Viewed by High-Resolution NMR Spectroscopy: Implications for Magnetic Resonance Image Contrast , 1995 .

[43]  T. Fujiwara,et al.  The wobbling‐in‐a‐cone analysis of internal motion in macromolecules , 1985 .

[44]  J. Berg,et al.  Water exchange filter (WEX filter) for nuclear magnetic resonance studies of macromolecules , 1994 .

[45]  B. Halle,et al.  Protein hydration dynamics in aqueous solution. , 1996, Faraday discussions.

[46]  M. Billeter.  Hydration water molecules seen by NMR and by X-ray crystallography , 1995 .

[47]  H. Dyson,et al.  Differential Side Chain Hydration in a Linear Peptide Containing a Type VI Turn , 1994 .

[48]  G. Otting,et al.  Hydration of DNA in aqueous solution: NMR evidence for a kinetic destabilization of the minor groove hydration of d-(TTAA)2 versus d-(AATT)2 segments. , 1994, Nucleic Acids Research.

[49]  Paul R. Gooley,et al.  Comparison of the structure of human recombinant short form stromelysin by multidimensional heteronuclear NMR and X-ray crystallography , 1996, Journal of biomolecular NMR.

[50]  A. Joachimiak,et al.  Determinants of repressor/operator recognition from the structure of the trp operator binding site , 1994, Nature.

[51]  G. Wider,et al.  Self-compensating pulsed magnetic-field gradients for short recovery times , 1994 .

[52]  G. Lipari.  Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules , 1982 .

[53]  Charles S. Johnson,et al.  An Improved Diffusion-Ordered Spectroscopy Experiment Incorporating Bipolar-Gradient Pulses , 1995 .

[54]  Ralph E. Hurd,et al.  Gradient-enhanced proton-detected heteronuclear multiple-quantum coherence spectroscopy , 1991 .

[55]  J Keeler,et al.  Pulsed-field gradients: theory and practice. , 1994, Methods in enzymology.

[56]  B. Halle,et al.  Using buried water molecules to explore the energy landscape of proteins , 1996, Nature Structural Biology.

[57]  G. Wagner,et al.  Detection of long-lived bound water molecules in complexes of human dihydrofolate reductase with methotrexate and NADPH. , 1995, Journal of molecular biology.

[58]  B. Halle,et al.  Protein hydration dynamics in aqueous solution: a comparison of bovine pancreatic trypsin inhibitor and ubiquitin by oxygen-17 spin relaxation dispersion. , 1995, Journal of molecular biology.

[59]  G. Otting,et al.  Proton exchange with internal water molecules in the protein BPTI in aqueous solution , 1991 .

[60]  I. Muegge,et al.  Heterogeneous diffusion of water at protein surfaces: application to BPTI , 1993 .

[61]  C. Dalvit,et al.  Sensitivity-Improved Detection of Protein Hydration and Its Extension to the Assignment of Fast-Exchanging Resonances , 1995 .

[62]  Ad Bax,et al.  NMR Evidence for the Displacement of a Conserved Interior Water Molecule in HIV Protease by a Non-Peptide Cyclic Urea-Based Inhibitor , 1994 .

[63]  J. C. Yang,et al.  Structural and dynamic studies of a non-self-complementary dodecamer DNA duplex. , 1993, Nucleic acids research.

[64]  K Wüthrich,et al.  Protein hydration in aqueous solution. , 1991, Science.

[65]  Structure determination of a tetrasaccharide: transient nuclear Overhauser effects in the rotating frame , 1984 .

[66]  A. Gronenborn,et al.  Localization of bound water in the solution structure of the immunoglobulin binding domain of streptococcal protein G. Evidence for solvent-induced helical distortion in solution. , 1992, Journal of molecular biology.

[67]  B. Halle,et al.  Interpretation of magnetic resonance data from water nuclei in heterogeneous systems , 1981 .

[68]  K Wüthrich,et al.  Protein hydration studied with homonuclear 3D1H NMR experiments , 1991, Journal of biomolecular NMR.

[69]  D. Patel,et al.  Solution structure of the d(T-C-G-A) duplex at acidic pH. A parallel-stranded helix containing C+ .C, G.G and A.A pairs. , 1994, Journal of molecular biology.

[70]  G. Otting,et al.  NMR identification of hydrophobic cavities with ow water occupancies in protein structures using small gas molecules , 1997, Nature Structural Biology.

[71]  S. Grzesiek,et al.  Measurement of amide proton exchange rates and NOEs with water in 13C/15N-enriched calcineurin B , 1993, Journal of biomolecular NMR.

[72]  D. Wemmer,et al.  NMR evidence for DNA bound water in solution , 1992 .

[73]  Paul A. Keifer,et al.  Pure absorption gradient enhanced heteronuclear single quantum correlation spectroscopy with improved sensitivity , 1992 .

[74]  A. Bax,et al.  A new water suppression technique for generating pure-phase spectra with equal excitation over a wide bandwidth , 1987 .

[75]  A M Gronenborn,et al.  Demonstration of positionally disordered water within a protein hydrophobic cavity by NMR. , 1995, Science.

[76]  G. Otting,et al.  Selective excitation of intense solvent signals in the presence of radiation damping , 1995, Journal of biomolecular NMR.

[77]  D. Patel,et al.  Solution structure and hydration patterns of a pyrimidine.purine.pyrimidine DNA triplex containing a novel T.CG base-triple. , 1994, Journal of molecular biology.

[78]  G. Otting,et al.  NMR assignments, secondary structure and hydration of oxidized Escherichia coli flavodoxin. , 1997, European journal of biochemistry.

[79]  A. Lane,et al.  Hydration of the RNA duplex r(CGCAAAUUUGCG)2 determined by NMR. , 1996, Nucleic acids research.

[80]  Gottfried Otting,et al.  Proton exchange rates from amino acid side chains— implications for image contrast , 1996, Magnetic resonance in medicine.

[81]  P. V. van Zijl,et al.  Water exchange filter with improved sensitivity (WEX II) to study solvent-exchangeable protons. Application to the consensus zinc finger peptide CP-1. , 1996, Journal of magnetic resonance. Series B.

[82]  Ad Bax,et al.  Identification and localization of bound internal water in the solution structure of interleukin 1.beta. by heteronuclear three-dimensional proton rotating-fram Overhauser nitrogen-15-proton multiple quantum coherence NMR spectroscopy , 1990 .

[83]  Assessment and Optimization of Pulse Sequences for Homonuclear Isotropic Mixing , 1990 .

[84]  B. Halle,et al.  Hydrogen exchange and protein hydration: the deuteron spin relaxation dispersions of bovine pancreatic trypsin inhibitor and ubiquitin. , 1995, Journal of molecular biology.

[85]  F. Penin,et al.  Rapid estimation of relative amide proton exchange rates of 15N‐labelled proteins by a straightforward water selective NOESY‐HSQC experiment , 1996, FEBS letters.

[86]  R. Hurd,et al.  Effective combination of gradients and crafted RF pulses for water suppression in biological samples , 1992 .

[87]  S. Meiboom,et al.  NUCLEAR MAGNETIC RESONANCE STUDY OF THE PROTON TRANSFER IN WATER , 1961 .

[88]  A. Petros,et al.  Three-dimensional structure of the FK506 binding protein/ascomycin complex in solution by heteronuclear three- and four-dimensional NMR. , 1993, Biochemistry.

[89]  G. Otting,et al.  Organic solvents identify specific ligand binding sites on protein surfaces , 1997, Nature Biotechnology.

[90]  E. Guittet,et al.  A study of protein-water exchange through the off-resonance ROESY experiment: Application to the DNA-binding domain of AlcR , 1996, Journal of biomolecular NMR.

[91]  Y. Ayant,et al.  Effet des interactions dipolaires magnétiques intermoléculaires sur la relaxation nucléaire de molécules polyatomiques dans les liquides , 1977 .

[92]  A. Gronenborn,et al.  Localization of bound water in the solution structure of a complex of the erythroid transcription factor GATA-1 with DNA. , 1994, Structure.

[93]  D. Wemmer,et al.  Applications of tritium NMR to macromolecules: A study of two nucleic acid molecules , 1996, Journal of biomolecular NMR.

[94]  G. Otting,et al.  NMR Detection of Hydration Water in the Intermolecular Interface of a Protein-DNA Complex. , 1993 .

[95]  G. Wagner,et al.  Contributions of tryptophan 24 and glutamate 30 to binding long-lived water molecules in the ternary complex of human dihydrofolate reductase with methotrexate and NADPH studied by site-directed mutagenesis and nuclear magnetic resonance spectroscopy. , 1995, Journal of molecular biology.

[96]  A. Wand,et al.  Structural water in oxidized and reduced horse heart cytochrome c , 1994, Nature Structural Biology.

[97]  K. Wüthrich,et al.  NMR spectroscopy of hydroxyl protons in aqueous solutions of peptides and proteins , 1992, Journal of biomolecular NMR.

[98]  G. Wider,et al.  Solvent suppression using a spin lock in 2D and 3D NMR spectroscopy with H2O solutions , 1989 .

[99]  B. Halle,et al.  WATER 1H MAGNETIC RELAXATION DISPERSION IN PROTEIN SOLUTIONS. A QUANTITATIVE ASSESSMENT OF INTERNAL HYDRATION, PROTON EXCHANGE, AND CROSS-RELAXATION , 1997 .

[100]  J. Chattopadhyaya,et al.  How much hydration is necessary for the stabilisation of DNA-duplex? , 1993, Nucleic acids research.

[101]  J. Leroy,et al.  Hydration and solution structure of nucleic acids. , 1995, Current opinion in structural biology.

[102]  A. Bax,et al.  Spin-echo water suppression for the generation of pure-phase two-dimensional NMR spectra , 1987 .

[103]  K. Wüthrich,et al.  NMR observation of individual molecules of hydration water bound to DNA duplexes: direct evidence for a spine of hydration water present in aqueous solution. , 1992, Nucleic Acids Research.

[104]  A. Szabó,et al.  Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 1. Theory and range of validity , 1982 .

[105]  K. Wüthrich,et al.  Designed replacement of an internal hydration water molecule in BPTI: structural and functional implications of a glycine-to-serine mutation. , 1993, Biochemistry.

[106]  Jeffrey W. Peng,et al.  Investigations of peptide hydration using NMR and molecular dynamics simulations: A study of effects of water on the conformation and dynamics of antamanide , 1996, Journal of biomolecular NMR.

[107]  H. Carr,et al.  The Principles of Nuclear Magnetism , 1961 .

[108]  Kurt Wüthrich,et al.  Hydration and DNA Recognition by Homeodomains , 1996, Cell.

[109]  E. Liepinsh,et al.  Minor groove hydration of DNA in aqueous solution: sequence-dependent next neighbor effect of the hydration lifetimes in d(TTAA)2 segments measured by NMR spectroscopy. , 1996, Nucleic acids research.

[110]  C. Moonen,et al.  Complete water suppression for solutions of large molecules based on diffusional differences between solute and solvent(DRYCLEAN) , 1990 .

[111]  P. J. Hore,et al.  Solvent suppression in Fourier transform nuclear magnetic resonance , 1983 .

[112]  W. Jahnke,et al.  Measurement of fast proton exchange rates in isotopically labeled compounds , 1993 .

[113]  J. Prestegard,et al.  New NMR methods for the characterization of bound waters in macromolecules , 1993 .

[114]  T. Holak,et al.  Protein hydration by homonuclear 1H three-dimensional NOE-NOE nuclear magnetic resonance spectroscopy , 1992 .

[115]  E. Guittet,et al.  Suppression of radiation damping during selective excitation of the water signal: The WANTED sequence , 1996, Journal of biomolecular NMR.

[116]  Vladimir Sklenar,et al.  Gradient-Tailored Water Suppression for 1H-15N HSQC Experiments Optimized to Retain Full Sensitivity , 1993 .

[117]  D. Patel,et al.  Hydration sites in purine.purine.pyrimidine and pyrimidine.purine.pyrimidine DNA triplexes in aqueous solution. , 1994, Structure.

[118]  G. Marshall,et al.  Solvent exposure of specific nuclei of angiotensin II determined by NMR solvent saturation method , 1974, Nature.

[119]  P. Hajduk,et al.  Theoretical Analysis of Relaxation During Shaped Pulses. I. The Effects of Short T1 and T2 , 1993 .

[120]  R. Bowtell.  Indirect detection via the dipolar demagnetizing field , 1992 .

[121]  S. Smallcombe.  Solvent suppression with symmetrically-shifted pulses , 1993 .

[122]  P. Wright,et al.  Hydration of the partially folded peptide RN-24 studied by multidimensional NMR , 1995, Journal of biomolecular NMR.

[123]  B. Halle,et al.  Direct Observation of Calcium-Coordinated Water in Calbindin D9k by Nuclear Magnetic Relaxation Dispersion , 1995 .

[124]  C. Hilbers,et al.  Chemically relayed nuclear Overhauser effects: connectivities between resonances of nonexchangeable protons and water , 1988 .