Selective excitation of intense solvent signals in the presence of radiation damping.

abstract：:The P1 adhesin (aka Antigen I/II or PAc) of the cariogenic bacterium Streptococcus mutans is a cell surface-localized protein involved in sucrose-independent adhesion and colonization of the tooth surface. The immunoreactive and adhesive properties of S. mutans suggest an unusual functional quaternary ultrastructure c...

journal_title：Journal of biomolecular NMR

authors： Tang W,Bhatt A,Smith AN,Crowley PJ,Brady LJ,Long JR

更新日期：2016-02-01 00:00:00

abstract：:No matter the source of compounds, drug discovery campaigns focused directly on the target are entirely dependent on a consistent stream of reliable data that reports on how a putative ligand interacts with the protein of interest. The data will derive from many sources including enzyme assays and many types of biophy...

journal_title：Journal of biomolecular NMR

authors： Keiffer S,Carneiro MG,Hollander J,Kobayashi M,Pogoryelev D,Ab E,Theisgen S,Müller G,Siegal G

更新日期：2020-11-01 00:00:00

abstract：:Spectral densities of the 15N amide in Escherichia coli ribonuclease HI, obtained from NMR relaxation experiments, were compared with those calculated using a molecular dynamics (MD) simulation. All calculations and comparisons assumed that the auto-correlation function describing the internal motions of the molecule ...

journal_title：Journal of biomolecular NMR

authors： Ishima R,Yamasaki K,Saito M,Nagayama K

更新日期：1995-09-01 00:00:00

abstract：:The (13)C(alpha) chemical shifts for 16,299 residues from 213 conformations of four proteins (experimentally determined by X-ray crystallography and Nuclear Magnetic Resonance methods) were computed by using a combination of approaches that includes, but is not limited to, the use of density functional theory. Initial...

journal_title：Journal of biomolecular NMR

authors： Vila JA,Villegas ME,Baldoni HA,Scheraga HA

更新日期：2007-07-01 00:00:00

abstract：:Four-dimensional NMR spectroscopy can be speeded up by a large factor by a projection-reconstruction technique related to that used in X-ray tomography. The limited amount of information recorded in a few suitably-tilted projection planes suffices to recreate the entire four-dimensional spectrum. The method is demonst...

journal_title：Journal of biomolecular NMR

authors： Kupce E,Freeman R

更新日期：2004-04-01 00:00:00

abstract：:Three methods for calculating nuclear magnetic resonance cross-relaxation rates from molecular dynamics simulations of small flexible molecules have been compared in terms of their ability to reproduce relaxation data obtained experimentally and to produce consistent descriptions of the system. The importance of the a...

journal_title：Journal of biomolecular NMR

authors： Feenstra KA,Peter C,Scheek RM,van Gunsteren WF,Mark AE

更新日期：2002-07-01 00:00:00

abstract：:Protein structure determination of low affinity complexes of interacting macromolecules is often hampered by a lack of observable NOEs between the binding partners. Covalent linkage offers a way to shift the equilibrium of the interaction partners to the bound state. Here we show that a single-chain protein containing...

journal_title：Journal of biomolecular NMR

authors： Freund C,Kühne R,Park S,Thiemke K,Reinherz EL,Wagner G

更新日期：2003-10-01 00:00:00

abstract：:Sensitivity and resolution together determine the quality of NMR spectra in biological solids. For high-resolution structure determination with solid-state NMR, proton-detection emerged as an attractive strategy in the last few years. Recent progress in probe technology has extended the range of available MAS frequenc...

journal_title：Journal of biomolecular NMR

authors： Xue K,Sarkar R,Tosner Z,Lalli D,Motz C,Koch B,Pintacuda G,Reif B

更新日期：2019-11-01 00:00:00

abstract：:The cryogenic temperatures at which dynamic nuclear polarization (DNP) solid-state NMR experiments need to be carried out cause line-broadening, an effect that is especially detrimental for crowded protein spectra. By increasing the magnetic field strength from 600 to 800 MHz, the resolution of DNP spectra of type III...

journal_title：Journal of biomolecular NMR

authors： Fricke P,Mance D,Chevelkov V,Giller K,Becker S,Baldus M,Lange A

更新日期：2016-08-01 00:00:00

abstract：:New base-type-edited transverse-relaxation optimized CT-HCN(C) experiments are presented that yield intra-base and sugar-to-base correlations for 13C-15N labeled RNA. High spectral resolution in the 13C and 15N dimensions is achieved by constant time (CT) frequency editing. A spectral editing filter applied during the...

journal_title：Journal of biomolecular NMR

authors： Van Melckebeke H,Pardi A,Boisbouvier J,Simorre JP,Brutscher B

更新日期：2005-08-01 00:00:00

abstract：:Backbone assignments for the isolated α-subunit of Salmonella typhimurium tryptophan synthase (TS) are reported based on triple resonance solution-state NMR experiments on a uniformly 2H,13C,15N-labeled sample. From the backbone chemical shifts, secondary structure and random coil index order parameters (RCI-S2) are p...

journal_title：Journal of biomolecular NMR

authors： Sakhrani VV,Hilario E,Caulkins BG,Hatcher-Skeers ME,Fan L,Dunn MF,Mueller LJ

更新日期：2020-07-01 00:00:00

abstract：:Artifacts associated with the measurement of methyl (1)H single quantum CPMG-based relaxation dispersion profiles are described. These artifacts arise due to the combination of cross-correlated spin relaxation effects involving intra-methyl (1)H-(1)H dipolar interactions and imperfections in (1)H refocusing pulses tha...

journal_title：Journal of biomolecular NMR

authors： Korzhnev DM,Mittermaier AK,Kay LE

更新日期：2005-04-01 00:00:00

abstract：:Segmental isotopic labeling can facilitate NMR studies of large proteins, multi-domain proteins, and proteins with repetitive sequences by alleviating NMR signal overlaps. Segmental isotopic labeling also allows us to investigate an individual domain in the context of a full-length protein by NMR. Several established ...

journal_title：Journal of biomolecular NMR

authors： Mikula KM,Krumwiede L,Plückthun A,Iwaï H

更新日期：2018-08-01 00:00:00

abstract：:Extensive resonance overlap exacerbates assignment of intrinsically disordered proteins (IDPs). This issue can be circumvented by utilizing (15)N, (13)C' and (1)H(N) spins, where the chemical shift dispersion is mainly dictated by the characteristics of consecutive amino acid residues. Especially (15)N and (13)C' spin...

journal_title：Journal of biomolecular NMR

authors： Mäntylahti S,Hellman M,Permi P

更新日期：2011-02-01 00:00:00

abstract：:Higher sensitivity of NMR spectrometers and novel isotopic labeling schemes have ushered the development of rapid data acquisition methodologies, improving the time resolution with which NMR data can be acquired. For nucleic acids, longitudinal relaxation optimization in conjunction with Ernst angle excitation (SOFAST...

journal_title：Journal of biomolecular NMR

authors： Sathyamoorthy B,Lee J,Kimsey I,Ganser LR,Al-Hashimi H

更新日期：2014-11-01 00:00:00

abstract：:Insights into the structure and dynamics of large biological systems has been greatly improved by two concurrent NMR approaches: the application of transverse relaxation-optimized spectroscopy (TROSY) techniques in multi-dimensional NMR, especially the methyl-TROSY, and the resurgence of 19F NMR using trifluoromethyl ...

journal_title：Journal of biomolecular NMR

authors： Klein BA,Sykes BD

更新日期：2019-11-01 00:00:00

abstract：:NMR spectroscopy is uniquely suited for atomic resolution studies of biomolecules such as proteins, nucleic acids and metabolites, since detailed information on structure and dynamics are encoded in positions and line shapes of peaks in NMR spectra. Unfortunately, accurate determination of these parameters is often co...

journal_title：Journal of biomolecular NMR

authors： Niklasson M,Otten R,Ahlner A,Andresen C,Schlagnitweit J,Petzold K,Lundström P

更新日期：2017-10-01 00:00:00

abstract：:Structural knowledge about proteins is mainly derived from values of observables, measurable in NMR spectroscopic or X-ray diffraction experiments, i.e. absorbed or scattered intensities, through theoretically derived relationships between structural quantities such as atom positions or torsional angles on the one han...

journal_title：Journal of biomolecular NMR

authors： Steiner D,Allison JR,Eichenberger AP,van Gunsteren WF

更新日期：2012-07-01 00:00:00

abstract：:NMR of macromolecules is limited by large transverse relaxation rates. In practice, this results in low efficiency of coherence transfer steps in multidimensional NMR experiments, leading to poor sensitivity and long acquisition times. The efficiency of coherence transfer can be maximized by design of relaxation optim...

journal_title：Journal of biomolecular NMR

authors： Frueh DP,Ito T,Li JS,Wagner G,Glaser SJ,Khaneja N

更新日期：2005-05-01 00:00:00

abstract：:The use of dipolar shifts as important constraints in refining molecular structure of paramagnetic metalloproteins by solution NMR is now well established. A crucial initial step in this procedure is the determination of the orientation. of the anisotropic paramagnetic susceptibility tensor in the molecular frame whic...

journal_title：Journal of biomolecular NMR

authors： Xia Z,Nguyen BD,La Mar GN

更新日期：2000-06-01 00:00:00

abstract：:Pseudocontact shifts (PCS) induced by tags loaded with paramagnetic lanthanide ions provide powerful long-range structure information, provided the location of the metal ion relative to the target protein is known. Usually, the metal position is determined by fitting the magnetic susceptibility anisotropy (Δχ) tensor ...

journal_title：Journal of biomolecular NMR

authors： Abdelkader EH,Yao X,Feintuch A,Adams LA,Aurelio L,Graham B,Goldfarb D,Otting G

更新日期：2016-01-01 00:00:00

abstract：:RC-RNase is a pyrimidine-guanine sequence-specific ribonuclease and a sialic-acid-binding lectin purified from Rana catesbeiana (bullfrog) oocytes. This 111-amino acid protein exhibits cytotoxicity toward several tumor cell lines. In this paper we report the assignments of proton NMR resonances and the identification ...

journal_title：Journal of biomolecular NMR

authors： Chen C,Hom K,Huang RF,Chou PJ,Liao YD,Huang T

更新日期：1996-10-01 00:00:00

abstract：:A method, based on linewidth measurements, is described which permits the rapid and facile determination of JHNH alpha coupling constants from 15N labeled proteins. Using appropriately processed HMQC-J data, we have found that a simple linear relationship exists between the half-height linewidth (delta nu1/2) of 15N-1...

journal_title：Journal of biomolecular NMR

authors： Wishart DS,Wang Y

更新日期：1998-04-01 00:00:00

abstract：:A new homonuclear Hartmann-Hahn-type mixing scheme is introduced that effects coherence transfer between resonances in two separated frequency bands. The mixing scheme relies on the irradiation of two-band selective shaped pulses that are expanded in an MLEV-16 supercycle. Similar to heteronuclear Hartmann-Hahn experi...

journal_title：Journal of biomolecular NMR

authors： Carlomagno T,Maurer M,Sattler M,Schwendinger MG,Glaser SJ,Griesinger C

更新日期：1996-09-01 00:00:00

abstract：:We report here the backbone 1HN, 15N, 13C alpha, 13CO, and 1H alpha NMR assignments for the catalytic domain of human fibroblast collagenase (HFC). Three independent assignment pathways (matching 1H, 13C alpha, and 13CO resonances) were used to establish sequential connections. The connections using 13C alpha resonanc...

journal_title：Journal of biomolecular NMR

authors： McCoy MA,Dellwo MJ,Schneider DM,Banks TM,Falvo J,Vavra KJ,Mathiowetz AM,Qoronfleh MW,Ciccarelli R,Cook ER,Pulvino TA,Wahl RC,Wang H

更新日期：1997-01-01 00:00:00

abstract：:19F solid-state NMR is an excellent approach for measuring long-range distances for structure determination and for studying molecular motion. For multi-fluorinated proteins, assignment of 19F chemical shifts has been traditionally carried out using mutagenesis. Here we show 2D 19F-13C correlation experiments that all...

journal_title：Journal of biomolecular NMR

authors： Shcherbakov AA,Roos M,Kwon B,Hong M

更新日期：2020-03-01 00:00:00

abstract：:Cytochrome c552 from the thermophilic bacterium Hydrogenobacter thermophilus is a typical c-type cytochrome which binds heme covalently via two thioether bonds between the two heme vinyl groups and two cysteine thiol groups in a CXXCH sequence motif. This protein was converted to a b-type cytochrome by substitution of...

journal_title：Journal of biomolecular NMR

authors： Tozawa K,Ferguson SJ,Redfield C,Smith LJ

更新日期：2015-06-01 00:00:00

abstract：:Characterization of the structure and dynamics of nucleic acids by NMR benefits significantly from position specifically labeled nucleotides. Here an E. coli strain deficient in the transketolase gene (tktA) and grown on glucose that is labeled at different carbon sites is shown to facilitate cost-effective and large ...

journal_title：Journal of biomolecular NMR

authors： Thakur CS,Luo Y,Chen B,Eldho NV,Dayie TK

更新日期：2012-02-01 00:00:00

abstract：:New nuclear magnetic resonance (NMR) methods are described for the measurement of cross-correlation rates of zero- and double-quantum coherences involving two nitrogen nuclei belonging to successive amino acids in proteins and peptides. Rates due to the concerted fluctuations of two NH(N) dipole-dipole interactions an...

journal_title：Journal of biomolecular NMR

authors： Pelupessy P,Ravindranathan S,Bodenhausen G

更新日期：2003-04-01 00:00:00

abstract：:For larger proteins, and proteins not amenable to expression in bacterial hosts, it is difficult to deduce structures using NMR methods based on uniform (13)C, (15)N isotopic labeling and observation of just nuclear Overhauser effects (NOEs). In these cases, sparse labeling with selected (15)N enriched amino acids and...

journal_title：Journal of biomolecular NMR

authors： Feng L,Lee HS,Prestegard JH

更新日期：2007-07-01 00:00:00