Resolution-optimized NMR measurement of (1)D(CH), (1)D(CC) and (2)D(CH) residual dipolar couplings in nucleic acid bases.

abstract：:The inclusion of explicit solvent water in molecular dynamics refinement of NMR structures ought to provide the most physically meaningful accounting for the effects of solvent on structure, but is computationally expensive. In order to evaluate the validity of commonly used vacuum refinements and of recently develope...

journal_title：Journal of biomolecular NMR

authors： Xia B,Tsui V,Case DA,Dyson HJ,Wright PE

更新日期：2002-04-01 00:00:00

abstract：:Although beta-lactoglobulin (beta-LG) has been studied extensively for more than 50 years, its physical properties in solution are not yet understood fully in terms of its three-dimensional (3D) structure. For example, despite a recent high-resolution crystal structure, it is still not clear why the two common variant...

journal_title：Journal of biomolecular NMR

authors： Uhrínová S,Uhrín D,Denton H,Smith M,Sawyer L,Barlow PN

更新日期：1998-07-01 00:00:00

abstract：:Paramagnetic relaxation enhancement (PRE) measurements constitute a powerful approach for detecting both permanent and transient protein-protein interactions. Typical PRE experiments require an intrinsic or engineered paramagnetic site on one of the two interacting partners; while a second, diamagnetic binding partner...

journal_title：Journal of biomolecular NMR

authors： Olivieri C,Subrahmanian MV,Xia Y,Kim J,Porcelli F,Veglia G

更新日期：2018-03-01 00:00:00

abstract：:PG-1 adopts a dimeric structure in dodecylphosphocholine (DPC) micelles, and a channel is formed by the association of several dimers but the molecular mechanisms of the membrane damage by non-α-helical peptides are still unknown. The formation of the PG-1 dimer is important for pore formation in the lipid bilayer, si...

journal_title：Journal of biomolecular NMR

authors： Usachev KS,Efimov SV,Kolosova OA,Filippov AV,Klochkov VV

更新日期：2015-04-01 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：: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：:The solvent-exposed regions of (U-13C)ascomycin when bound to its putative target protein, FKBP, have been identified based on the different proton longitudinal relaxation rates (R1 = 1/T1) measured in the absence and presence of the paramagnetic relaxation reagent, 4-hydroxy-2,2,6,6-tetramethyl-piperidinyl-1-oxy (HyT...

journal_title：Journal of biomolecular NMR

authors： Petros AM,Neri P,Fesik SW

更新日期：1992-01-01 00:00:00

abstract：:The greatly improved sensitivity resulting from the use of TROSY during 15N evolution and amide proton acquisition enables the recording of HNCA spectra of large proteins with constant-time 13C alpha evolution. In [13C]-ct-[15N,1H]-TROSY-HNCA experiments with a 2H/13C/15N-labeled 110 kDa protein, 7,8-dihydroneopterin ...

journal_title：Journal of biomolecular NMR

authors： Salzmann M,Pervushin K,Wider G,Senn H,Wüthrich K

更新日期：1999-05-01 00:00:00

abstract：:It has been demonstrated that protein folds can be determined using appropriate computational protocols with NMR chemical shifts as the sole source of experimental restraints. While such approaches are very promising they still suffer from low convergence resulting in long computation times to achieve accurate results...

journal_title：Journal of biomolecular NMR

authors： Rasia RM,Lescop E,Palatnik JF,Boisbouvier J,Brutscher B

更新日期：2011-11-01 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：: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：: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：:We present NMRlib, a suite of jython-based tools designed for Bruker spectrometers (TopSpin versions 3.2-4.0) that allow easy setup, management, and exchange of NMR experiments. A NMR experiment can be set up and executed in a few clicks by navigating through the NMRlib GUI tree structure, without any further paramete...

journal_title：Journal of biomolecular NMR

authors： Favier A,Brutscher B

更新日期：2019-05-01 00:00:00

abstract：:We present a time-shared 3D HSQC-NOESY experiment that enables one to simultaneously record (13)C- and (15)N-dispersed spectra in Ile, Leu and Val (ILV) methyl-labeled samples. This experiment is designed to delineate the two spectra which would otherwise overlap with one another when acquired together. These spectra ...

journal_title：Journal of biomolecular NMR

authors： Frueh DP,Leed A,Arthanari H,Koglin A,Walsh CT,Wagner G

更新日期：2009-11-01 00:00:00

abstract：:Selective water excitation schemes are provided which rely on the radiation damping effect in probeheads characterized by high quality factors. The schemes are implemented in homonuclear NOE and ROE experiments, designed for the selective observation of water-protein cross peaks and their assignment using standard pro...

journal_title：Journal of biomolecular NMR

authors： Otting G,Liepinsh E

更新日期：1995-06-01 00:00:00

abstract：:The advantages of non-uniform sampling (NUS) in offering time savings and resolution enhancement in NMR experiments have been increasingly recognized. The possibility of sensitivity gain by NUS has also been demonstrated. Application of NUS to multidimensional NMR experiments requires the selection of a sampling schem...

journal_title：Journal of biomolecular NMR

authors： Sun S,Gill M,Li Y,Huang M,Byrd RA

更新日期：2015-05-01 00:00:00

abstract：:Recent progress in magic-angle spinning (MAS) solid-state NMR (SSNMR) has enabled multidimensional studies of large, macroscopically unoriented membrane proteins with associated lipids, without the requirement of solubility that limits other structural techniques. Here we present initial sample preparation and SSNMR s...

journal_title：Journal of biomolecular NMR

authors： Frericks HL,Zhou DH,Yap LL,Gennis RB,Rienstra CM

更新日期：2006-09-01 00:00:00

abstract：:Solid-state NMR spectra of membrane proteins often show significant line broadening at cryogenic temperatures. Here we investigate the effects of several cryoprotectants to preserve the spectral resolution of lipid membranes and membrane peptides at temperatures down to ~200 K. Trehalose, glycerol, dimethylsulfoxide (...

journal_title：Journal of biomolecular NMR

authors： Lee M,Hong M

更新日期：2014-08-01 00:00:00

abstract：:A simple spectroscopic filtering technique is presented that may aid the assignment of (13)C and (15)N resonances of methyl-containing amino-acids in solid-state magic-angle spinning (MAS) NMR. A filtering block that selects methyl resonances is introduced in two-dimensional (2D) (13)C-homonuclear and (15)N-(13)C hete...

journal_title：Journal of biomolecular NMR

authors： Jehle S,Hiller M,Rehbein K,Diehl A,Oschkinat H,van Rossum BJ

更新日期：2006-11-01 00:00:00

abstract：:Proton chemical shifts of a series of disordered linear peptides (H-Gly-Gly-X-Gly-Gly-OH, with X being one of the 20 naturally occurring amino acids) have been obtained using 1D and 2D 1H NMR at pH 5.0 as a function of temperature and solvent composition. The use of 2D methods has allowed some ambiguities in side-chai...

journal_title：Journal of biomolecular NMR

authors： Merutka G,Dyson HJ,Wright PE

更新日期：1995-01-01 00:00:00

abstract：:Glycoproteins are characterized by the heterogeneous and dynamic nature of their glycan moieties, which hamper crystallographic analysis. NMR spectroscopy provides potential advantages in dealing with such complicated systems, given that the target molecules can be isotopically labeled. Methods of metabolic isotope la...

journal_title：Journal of biomolecular NMR

authors： Yanaka S,Yagi H,Yogo R,Yagi-Utsumi M,Kato K

更新日期：2018-07-01 00:00:00

abstract：:Three experiments are introduced to determine a complete set of coupling constants in RNA oligomers. In the HCCH-E.COSY experiment, the vicinal proton-proton coupling constants can be measured with high accuracy. In the P-FIDS-CT-HSQC experiment, vicinal proton-phosphorus and carbon-phosphorus couplings are measured t...

journal_title：Journal of biomolecular NMR

authors： Schwalbe H,Marino JP,King GC,Wechselberger R,Bermel W,Griesinger C

更新日期：1994-09-01 00:00:00

abstract：:The hydrogen-deuterium exchange rates of the reduced and oxidized forms of Rhodobacter capsulatus cytochrome c2 were studied by 1H-15N homonuclear multiple quantum correlation spectroscopy. Minimal differences were observed for the N- and C-terminal helices on changing redox state suggesting that although these helice...

journal_title：Journal of biomolecular NMR

authors： Gooley PR,Zhao D,MacKenzie NE

更新日期：1991-07-01 00:00:00

abstract：:The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs runni...

journal_title：Journal of biomolecular NMR

authors： Delaglio F,Grzesiek S,Vuister GW,Zhu G,Pfeifer J,Bax A

更新日期：1995-11-01 00:00:00

abstract：:We present a computational method for finding optimal labeling patterns for the backbone assignment of membrane proteins and other large proteins that cannot be assigned by conventional strategies. Following the approach of Kainosho and Tsuji (Biochemistry 21:6273-6279 (1982)), types of amino acids are labeled with (1...

journal_title：Journal of biomolecular NMR

authors： Hefke F,Bagaria A,Reckel S,Ullrich SJ,Dötsch V,Glaubitz C,Güntert P

更新日期：2011-02-01 00:00:00

abstract：:Residual dipolar couplings provide complementary information to the nuclear Overhauser effect measurements that are traditionally used in biomolecular structure determination by NMR. In a de novo structure determination, however, lack of knowledge about the degree and orientation of molecular alignment complicates the...

journal_title：Journal of biomolecular NMR

authors： Habeck M,Nilges M,Rieping W

更新日期：2008-02-01 00:00:00

abstract：:The kinetic process of folding of bovine pancreatic ribonuclease A in a 2H2O environment at pH 1.2 was examined by a recently developed temperature-jump NMR method (Akasaka et al., (1990) Rev. Sci. Instrum. 61, 66-68). Upon temperature-jump down from 45 degrees C to 29 degrees C, which was attained within 6 s, the pro...

journal_title：Journal of biomolecular NMR

authors： Akasaka K,Naito A,Nakatani H

更新日期：1991-05-01 00:00:00

abstract：:We discuss the optimum experimental conditions to obtain assignment spectra for solid proteins at magic-angle spinning (MAS) frequencies around 100 kHz. We present a systematic examination of the MAS dependence of the amide proton T 2' times and a site-specific comparison of T 2' at 93 kHz versus 60 kHz MAS frequency....

journal_title：Journal of biomolecular NMR

authors： Penzel S,Smith AA,Agarwal V,Hunkeler A,Org ML,Samoson A,Böckmann A,Ernst M,Meier BH

更新日期：2015-10-01 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：: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