Unfortunately, many biomolecular NMR spectroscopy labs use non-standard methods for determining the 1H, 13C or 15N "zero-point" chemical shift position. (wikipedia.org)
Experimental methods of multi-dimensional NMR spectroscopy, dynamics and theoretical description of spin system evolution, multiple resonance NMR technique for structural studies of proteins and nucleic acids by NMR spectroscopy, contemporary methods of structural biology, studies of complex biomolecular systems. (muni.cz)
Nuclear magnetic resonance spectroscopy, Radiolabeling, Biomolecules-Analysis, Isotope Labeling-methods, Nuclear Magnetic Resonance, Biomolecular Here we describe a protocol for the labeling of proteins that facilitates their study using a technique that is sensitive to millisecond conformational exchange restrict to techniques of labeling with isotopes (stable or radioactive): do not use for radioisotope tracer studies of "labeled" cells, microorganisms or chemicals Pris: 1862 kr. (firebaseapp.com)
Liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis and one-dimensional (1D) and two-dimensional (2D) nuclear magnetic resonance (NMR) spectroscopy led to the unequivocal identification of the major, slightly bitter tasting compounds as a series of eight saponins. (nih.gov)
This labeling paradigm is of theoretical and practical relevance to a wide range of biological applications, including the analysis of data from DNA microarrays, metabolomics experiments, and biomolecular nuclear magnetic resonance (NMR) spectroscopy. (wisc.edu)
We demonstrate the successful application of PINE to a key task in protein NMR spectroscopy: that of converting peak lists extracted from various NMR experiments into assignments associated with probabilities for their correctness. (wisc.edu)
Fred received his Ph.D. in Biophysics from the University of California (1994) and is a member of the Biomolecular NMR Spectroscopy Platform in the Biology department, and a staff scientist of the Allain group at the ETH. (nmr.ch)
In our group we study protein molecules using nuclear magnetic resonance (NMR) spectroscopy. (au.dk)
Nuclear Magnetic Resonance (NMR) spectroscopy is a quantitative analytical tool commonly utilized for metabolomics analysis. (bvsalud.org)
Our facility provides services for the nuclear magnetic resonance (NMR) spectroscopy of biomolecules (peptides, proteins, RNA, DNA). (edu.pl)
This review describes the spectroscopic experiments and data analysis methods (including assignment) used to generate high-resolution structural data for membrane proteins. (nih.gov)
The development of the analysis of ROA spectra has largely been based upon the correlation of ROA spectra of proteins of known structure with structural information from alternative sources, chiefly X-ray crystallography and multidimensional nuclear magnetic resonance (NMR). (gla.ac.uk)
As the database of ROA spectra of polypeptides and proteins has grown, it has been possible to tighten up the assignment of ROA spectral bands and band patterns to aspects of known structural content. (gla.ac.uk)
In the following paper, the authors present a NMR technique that uses time-efficient resonance assignment of histidine and tyrosine side chains in uniformly 13 C/ 15 N-labeled proteins. (umich.edu)
5D 13 C detected experiments for backbone assignment of unstructured proteins with a very low signal dispersion. (edu.pl)
Automated backbone NMR resonance assignment of large proteins using redundant linking from a single simultaneous acquisition. (mpg.de)
Their amino acid sequences suggest that they are mainly cytosolic or nuclear proteins partly associating with membranes (Talbot et al. (springer.com)
Metabolomics1
Despite wide-spread use of Nuclear Magnetic Resonance (NMR) in metabolomics for the analysis of biological samples there is a lack of graphically driven, publicly available software to process large one and two-dimensional NMR data sets for statistical analysis. (biomedcentral.com)
Spectra3
The ease with which the ROA spectra of biological molecules can be successfully measured lends itself perfectly to the ever-growing demand for biomolecular structural information, especially in the context of proteomics and the Human Genome Project. (gla.ac.uk)
To facilitate the analysis of series of two-dimensional spectra, different spectra can be overlaid and assignments can be transferred between spectra. (biomedcentral.com)
2D spectra also present additional opportunities, especially for the assignment of metabolites depending on user driven decisions for ambiguous signals. (biomedcentral.com)
Protein6
Protein chemical shift re-referencing is a post-assignment process of adjusting the assigned NMR chemical shifts to match IUPAC and BMRB recommended standards in protein chemical shift referencing. (wikipedia.org)
In this 6-week course, students will learn thermodynamics of various biomolecular processes, including conformational changes, molecular association / dissociation, and protein-drug interactions. (utmb.edu)
PINE is a probailistic method for automated protein backbone and sidechain assignments, detection and correction of referencing and secondary structure determination from input protein sequence and NMR data set peak lists. (wisc.edu)
it provides as output a probabilistic assignment of NMR signals (chemical shifts) to sequence-specific backbone and aliphatic side chain atoms plus a probabilistic determination of the protein secondary structure. (wisc.edu)
Complete 1H nuclear magnetic resonance assignments and structural characterization of a fusion protein of the alpha-amylase inhibitor tendamistat with the activation domain of the human immunodeficiency virus type 1 Tat protein. (mpg.de)
Here, we present the backbone and side chain nuclear magnetic resonance assignments for the human DBNDD1 protein. (springer.com)
Crystallography1
Here we used cryo-electron microscopy, nuclear magnetic resonance and X-ray crystallography to determine the atomic details of human ALK dimerization and activation by ALKAL1 and ALKAL2. (nature.com)
Signals4
The complete assignment of 1 H and 13 C NMR signals for several saponins was carried out for the first time. (nih.gov)
The software includes mechanisms to account for overlapping signals by highlighting neighboring and ambiguous assignments. (biomedcentral.com)
Spontaneous enhancement of magnetic resonance signals using a RASER. (mpg.de)
Although approximately one half of the signals expected for the domain are absent at 298 K, essentially complete resonance assignments and a solution structure could be obtained at 318 K. Because of the sparse nature of the experimental restraint data and the potentially important contribution of conformational exchange to the nuclear Overhauser effect peak intensity, we applied inferential structure determination to calculate the eCD5d1m structure. (ox.ac.uk)
Spectral1
Spectral density mapping at multiple magnetic fields suitable for C-13 NMR relaxation studies. (muni.cz)
Probabilistic2
The computational core of PINE uses estimates of evidence derived from empirical distributions of previously observed data, along with consistency measures, to drive a fictitious system M with Hamiltonian H to a quasi-stationary state that produces probabilistic label assignments for relevant subsets of the data. (wisc.edu)
PINE returns several types of output, detailing the probabilistic chemical shift assignments and secondary structure determined, in several different formats. (wisc.edu)
Our experience includes experimental data for resonance assignments and information about molecular dynamic processes retrieved from 15 N relaxation experiments. (edu.pl)
Integrative1
The integrative understanding of these fundamental biomolecular properties is essential to achieve a comprehensive understanding of biological processes at the nanoscale. (au.dk)
Experiments1
13 C-detected NMR experiments for automatic resonance assignment of IDPs and multiple-fixing SMFT processing , P. Dziekański, K. Grudziąż, W. Koźmiński, A. Zawadzka-Kazimierczuk J. Biomol. (edu.pl)
Prediction1
This software is very useful for biological NMR community for NMR resonance assignment, structure prediction, semi-automatic structure calculation, etc. (umich.edu)
Sequence-specific1
Strategies for sequence-specific resonance assignment. (edu.pl)
Detection1
Summary and comparison of different chemical shift re-referencing and mis-assignment detection programs. (wikipedia.org)
Structure3
Given that chemical shift assignments are typically made before the structure is determined, it was soon realized that structure-independent approaches were required to develop. (wikipedia.org)
2014. Robust and highly accurate automatic NOESY assignment and structure determination with Rosetta . (ucsc.edu)
Here we report the 1 H, 13 C and 15 N resonance assignments and secondary structure identification of the DBD of RstA from K. pneumoniae as a first step for unraveling the structural and functional relationship of the RstA/RstB two component system. (ntnu.edu.tw)
Nucleic1
Impact of nucleic acid self-alignment in a strong magnetic field on the interpretation of indirect spin-spin interactions. (muni.cz)
Facility1
The facility is equipped with two three-channel Varian NMR spectrometers working at a magnetic field strength of 9.4 and 11.7 T, corresponding to 400 and 500 MHz 1 H resonance frequencies, respectively. (edu.pl)
Biological1
NMR resonance assignments have been deposited in the Biological Magnetic Resonance Bank (BMRB) under the accession codes 30910 (ALK-ECR ABR ), 30911 (ALKAL2) and 30912 (ALKAL1). (nature.com)
Chemical6
Incorrect chemical shift referencing is a particularly acute problem in biomolecular NMR. (wikipedia.org)
Because of the magnitude and severity of the problems with chemical shift referencing in biomolecular NMR, a number of computer programs have been developed to help mitigate the problem (see Table 1 for a summary). (wikipedia.org)
The first program to comprehensively tackle chemical shift mis-referencing in biomolecular NMR was SHIFTCOR. (wikipedia.org)
The results contain the chemical shift analyses (including lists of potential mis-assignments, the estimated referencing errors, the estimated error in the calculated reference offset (95% confidence interval), the applied or suggested reference offset, correlation coefficients, RMSD values) and the corrected BMRB formatted chemical shift file (see Figure 1 for details). (wikipedia.org)
By comparing the predicted shifts to the observed shifts, SHIFTCOR is able to accurately identify chemical shift reference offsets as well as potential mis-assignments. (wikipedia.org)
1H, 13C, and 15N chemical shifts assignments for human endothelial monocyte-activating polypeptide EMAP II D. Lozhko, J. Stanek, K. Kazimierczuk. (edu.pl)
Field2
NMRFAM has taken over the original Sparky from UCSF for the continuous development to implement advances in biomolecular NMR field. (umich.edu)
Field and magic angle spinning frequency dependence of proton resonances in rotating solids. (mpg.de)
Dynamic1
Anle138b interaction in α-synuclein aggregates by dynamic nuclear polarization NMR. (mpg.de)
Domain1
Resonance assignment of the RGS domain of human RGS10. (ox.ac.uk)
Group1
He started the development of CARA as part of his Ph.D. thesis "Optimizing the process of nuclear magnetic resonance spectrum analysis and computer aided resonance assignment" in the group of Prof. Dr. Kurt Wüthrich at the ETH (2000-2004). (nmr.ch)