(31)P NMR correlation maps of (18)O/ (16)O chemical shift isotopic effects for phosphometabolite labeling studies.

abstract：:G-matrix FT projection NMR spectroscopy was employed for resonance assignment of the 79-residue subunit c of the Escherichia coli F(1)F(0) ATP synthase embedded in micelles formed by lyso palmitoyl phosphatidyl glycerol (LPPG). Five GFT NMR experiments, that is, (3,2)D HNNCO, L-(4,3)D HNNC (alphabeta) C (alpha), L-(4,...

journal_title：Journal of biomolecular NMR

authors： Zhang Q,Atreya HS,Kamen DE,Girvin ME,Szyperski T

更新日期：2008-03-01 00:00:00

abstract：:Two-dimensional versions of HNCA and HNCO experiments are described, which provide essentially the same information as the 3D sequence. A multiple-quantum coherence involving either 15N and 13C alpha or 15N and 13CO is created. One of the two frequencies is given by the middle point between the two cross peaks (zero- ...

journal_title：Journal of biomolecular NMR

authors： Simorre JP,Brutscher B,Caffrey MS,Marion D

更新日期：1994-05-01 00:00:00

abstract：:Accessible surface area (ASA) is the surface area of an atom, amino acid or biomolecule that is exposed to solvent. The calculation of a molecule's ASA requires three-dimensional coordinate data and the use of a "rolling ball" algorithm to both define and calculate the ASA. For polymers such as proteins, the ASA for i...

journal_title：Journal of biomolecular NMR

authors： Hafsa NE,Arndt D,Wishart DS

更新日期：2015-07-01 00:00:00

abstract：:Temperature coefficients have been measured for backbone amide (1)H and (15)N nuclei in the B1 domain of protein G (GB1), using temperatures in the range 283-313 K, and pH values from 2.0 to 9.0. Many nuclei display pH-dependent coefficients, which were fitted to one or two pK(a) values. (1)H coefficients showed the e...

journal_title：Journal of biomolecular NMR

authors： Tomlinson JH,Williamson MP

更新日期：2012-01-01 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：:Understanding of the molecular mechanisms of protein function requires detailed insight into the conformational landscape accessible to the protein. Conformational changes can be crucial for biological processes, such as ligand binding, protein folding, and catalysis. NMR spectroscopy is exquisitely sensitive to such ...

journal_title：Journal of biomolecular NMR

authors： Chatterjee SD,Ubbink M,van Ingen H

更新日期：2018-06-01 00:00:00

abstract：:Two methods for the measurement of homonuclear 3J(HNH)alpha coupling constants are described. Both HSQC- and HMQC-type experiments employ 'quantitative J-correlation', in which the coupling constant of interest is obtained from the intensity ratio of cross peaks of two spectra. The first spectrum is acquired with 3J(H...

journal_title：Journal of biomolecular NMR

authors： Permi P,Kilpeläinen I,Annila A,Heikkinen S

更新日期：2000-01-01 00:00:00

abstract：:With the completion of genome sequencing projects, there are a large number of proteins for which we have little or no functional information. Since protein function is closely related to three-dimensional conformation, structural proteomics is one avenue where the role of proteins with unknown function can be investi...

journal_title：Journal of biomolecular NMR

authors： Julien O,Gignac I,Hutton A,Yee A,Arrowsmith CH,Gagné SM

更新日期：2006-06-01 00:00:00

abstract：:The voltage-dependent anion channel (VDAC) is the most abundant protein of the outer mitochondrial membrane and constitutes the major pathway for the transport of ADP, ATP, and other metabolites. In this multidisciplinary study we combined solid-state NMR, electrophysiology, and molecular dynamics simulations, to stud...

journal_title：Journal of biomolecular NMR

authors： Gattin Z,Schneider R,Laukat Y,Giller K,Maier E,Zweckstetter M,Griesinger C,Benz R,Becker S,Lange A

更新日期：2015-04-01 00:00:00

abstract：:A new method, a restrained Monte Carlo (rMC) calculation, is demonstrated for generating high-resolution structures of DNA oligonucleotides in solution from interproton distance restraints and bounds derived from complete relaxation matrix analysis of two-dimensional nuclear Overhauser effect (NOE) spectral peak inten...

journal_title：Journal of biomolecular NMR

authors： Ulyanov NB,Schmitz U,James TL

更新日期：1993-09-01 00:00:00

abstract：:Recently we have shown that HMQC spectra of protonated methyl groups in high molecular weight, highly deuterated proteins have large enhancements in sensitivity and resolution relative to HSQC-generated data sets. These enhancements derive from a TROSY effect in which complete cancellation of intra-methyl (1)H-(1)H an...

journal_title：Journal of biomolecular NMR

authors： Tugarinov V,Kay LE

更新日期：2004-02-01 00:00:00

abstract：:Simple pulse schemes are presented for the measurement of methyl (13)C and (1)H CSA values from (1)H-(13)C dipole/(13)C CSA and (1)H-(13)C dipole/(1)H CSA cross-correlated relaxation. The methodology is applied to protein L and malate synthase G. Average (13)C CSA values are considerably smaller for Ile than Leu/Val (...

journal_title：Journal of biomolecular NMR

authors： Tugarinov V,Scheurer C,Brüschweiler R,Kay LE

更新日期：2004-12-01 00:00:00

abstract：:We have developed an approach for simultaneous structure calculation and automatic Nuclear Overhauser Effect (NOE) assignment to solve nuclear magnetic resonance (NMR) structures from unassigned NOESY data. The approach, autoNOE-Rosetta, integrates Resolution Adapted Structural RECombination (RASREC) Rosetta NMR calcu...

journal_title：Journal of biomolecular NMR

authors： Lange OF

更新日期：2014-07-01 00:00:00

abstract：:Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion NMR experiments are extremely powerful for characterizing millisecond time-scale conformational exchange processes in biomolecules. A large number of such CPMG experiments have now emerged for measuring protein backbone chemical shifts of sparsely populated (>0.5%...

journal_title：Journal of biomolecular NMR

authors： Vallurupalli P,Hansen DF,Lundström P,Kay LE

更新日期：2009-09-01 00:00:00

abstract：:NMR spectra of ubiquitin in the presence of bicelles at a concentration of 32% w/v have been recorded at 700 MHz under sample spinning conditions at the magic angle (54.7 degrees ) and at an angle of 45.5 degrees . At the magic angle, the 1H-15N HSQC spectrum of ubiquitin in bicelles is virtually indistinguishable fro...

journal_title：Journal of biomolecular NMR

authors： Lancelot N,Elbayed K,Piotto M

更新日期：2005-11-01 00:00:00

abstract：:Limitations in the applicability, accuracy, and precision of individual structure characterization methods can sometimes be overcome via an integrative modeling approach that relies on information from all available sources, including all available experimental data and prior models. The open-source Integrative Modeli...

journal_title：Journal of biomolecular NMR

authors： Vallat B,Webb B,Westbrook J,Sali A,Berman HM

更新日期：2019-07-01 00:00:00

abstract：:The kinetics of lanthanide (III) exchange for calcium(II) in the C-terminal EF-hand of the protein calbindin D9k have been studied by one-dimensional (1D) stopped-flow NMR. By choosing a paramagnetic lanthanide (Ce3+), kinetics in the sub-second range can be easily measured. This is made possible by the fact that (i) ...

journal_title：Journal of biomolecular NMR

authors： Barbieri R,Hore PJ,Luchina C,Pierattelli R

更新日期：2002-08-01 00:00:00

abstract：:Protein-fusion constructs have been used with great success for enhancing expression of soluble recombinant protein and as tags for affinity purification. Unfortunately the most popular tags, such as GST and MBP, are large, which hinders direct NMR studies of the fusion proteins. Cleavage of the fusion proteins often ...

journal_title：Journal of biomolecular NMR

authors： Zhou P,Lugovskoy AA,Wagner G

更新日期：2001-05-01 00:00:00

abstract：:Calculated coupling constants (3JHNH alpha, 1JC alpha H alpha, 2JC'H alpha, 1JC alpha N and 2JC alpha N) from our accompanying paper [Edison, A.S. et al. (1994) J. Biomol. NMR, 4, 519-542] have been used to generate error surfaces that can provide estimates of the phi and psi angles in proteins. We have used experimen...

journal_title：Journal of biomolecular NMR

authors： Edison AS,Weinhold F,Westler WM,Markley JL

更新日期：1994-07-01 00:00:00

abstract：:Lanthanide complexes based on the DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) cage are commonly used as phase contrast agents in magnetic resonance imaging, but can also be utilized in structural NMR applications due to their ability to induce either paramagnetic relaxation enhancement or a pseudoc...

journal_title：Journal of biomolecular NMR

authors： Strickland M,Schwieters CD,Göbl C,Opina AC,Strub MP,Swenson RE,Vasalatiy O,Tjandra N

更新日期：2016-10-01 00:00:00

abstract：:Silkworms serve as promising bioreactors for the production of recombinant proteins, including glycoproteins and membrane proteins, for structural and functional protein analyses. However, lack of methodology for stable isotope labeling has been a major deterrent to using this expression system for nuclear magnetic re...

journal_title：Journal of biomolecular NMR

authors： Yagi H,Nakamura M,Yokoyama J,Zhang Y,Yamaguchi T,Kondo S,Kobayashi J,Kato T,Park EY,Nakazawa S,Hashii N,Kawasaki N,Kato K

更新日期：2015-06-01 00:00:00

abstract：:We have developed a tool for computer-assisted assignments of protein NMR spectra from triple resonance data. The program is designed to resemble established manual assignment procedures as closely as possible. IBIS exports its results in XEASY format. Thus, using IBIS the operator has continuous visual and accounting...

journal_title：Journal of biomolecular NMR

authors： Hyberts SG,Wagner G

更新日期：2003-08-01 00:00:00

abstract：:A pulse sequence is described for recording single-quantum (13)C-methyl relaxation dispersion profiles of (13)C-selectively labeled methyl groups in proteins that offers significant improvements in sensitivity relative to existing approaches where initial magnetization derives from (13)C polarization. Sensitivity gain...

journal_title：Journal of biomolecular NMR

authors： Lundström P,Vallurupalli P,Religa TL,Dahlquist FW,Kay LE

更新日期：2007-05-01 00:00:00

abstract：:Mollib is a software framework for the analysis of molecular structures, properties and data with an emphasis on data collected by NMR. It uses an open source model and a plugin framework to promote community-driven development of new and enhanced features. Mollib includes tools for the automatic retrieval and caching...

journal_title：Journal of biomolecular NMR

authors： Lorieau JL

更新日期：2017-10-01 00:00:00

abstract：:The assignment of protein backbone and side-chain NMR chemical shifts is the first step towards the characterization of protein structure. The recent introduction of proton detection in combination with fast MAS has opened up novel opportunities for assignment experiments. However, typical 3D sequential-assignment exp...

journal_title：Journal of biomolecular NMR

authors： Lends A,Ravotti F,Zandomeneghi G,Böckmann A,Ernst M,Meier BH

更新日期：2018-10-01 00:00:00

abstract：:Laboratories often repeatedly determine the structure of a given protein under a variety of conditions, mutations, modifications, or in a number of states. This approach can be cumbersome and tedious. Given then a database of structures, identifiers, and corresponding (1)H,(15)N-HSQC NMR spectra for homologous protein...

journal_title：Journal of biomolecular NMR

authors： Robertson IM,Boyko RF,Sykes BD

更新日期：2011-09-01 00:00:00

abstract：:A new pulse sequence is presented for the measurement of relaxation dispersion profiles quantifying millisecond time-scale exchange dynamics of side-chain carbonyl groups in uniformly (13)C labeled proteins. The methodology has been tested using the 87-residue colicin E7 immunity protein, Im7, which is known to fold v...

journal_title：Journal of biomolecular NMR

authors： Hansen AL,Kay LE

更新日期：2011-08-01 00:00:00

abstract：:Methyl (13)CHD(2) isotopomers of all methyl-containing amino-acids can be observed in residually protonated samples of large proteins obtained from [U-(13)C,(1)H]-glucose/D(2)O-based bacterial media, with sensitivity sufficient for a number of NMR applications. Selective detection of some subsets of methyl groups (Ala...

journal_title：Journal of biomolecular NMR

authors： Guo C,Tugarinov V

更新日期：2010-02-01 00:00:00

abstract：:Time-averaged restraints in molecular dynamics simulations offer a means to account for the averaging that is implicit in NMR spectroscopic data. We present a systematic investigation of the parameters which characterise time-averaged distance restraints. Using previously published data for a small protein, chymotryps...

journal_title：Journal of biomolecular NMR

authors： Nanzer AP,van Gunsteren WF,Torda AE

更新日期：1995-11-01 00:00:00

abstract：:Protein structure determination by NMR methods has started in the mid-eighties and has been growing steadily since then. Ca. 14% of the protein structures deposited in the PDB have been solved by NMR. The evaluation of the quality of NMR structures however is still lacking a well-established practice. In this work, we...

journal_title：Journal of biomolecular NMR

authors： Saccenti E,Rosato A

更新日期：2008-04-01 00:00:00