NMRbot: Python scripts enable high-throughput data collection on current Bruker BioSpin NMR spectrometers.

PubWeight™: 0.86‹?›

🔗 View Article (PMID 23678341)

Published in Metabolomics on January 04, 2013

Authors

Lawrence J Clos1, M Fransisca Jofre, James J Ellinger, William M Westler, John L Markley

Author Affiliations

1: National Magnetic Resonance Facility at Madison, Department of Biochemistry, University of Wisconsin-Madison, 433 Babcock Drive, Madison, WI 53706 USA.

Articles by these authors

The worldwide Protein Data Bank (wwPDB): ensuring a single, uniform archive of PDB data. Nucleic Acids Res (2006) 13.44

The CCPN data model for NMR spectroscopy: development of a software pipeline. Proteins (2005) 13.03

BioMagResBank. Nucleic Acids Res (2007) 10.21

Metabolite identification via the Madison Metabolomics Consortium Database. Nat Biotechnol (2008) 5.12

Remediation of the protein data bank archive. Nucleic Acids Res (2007) 4.89

RECOORD: a recalculated coordinate database of 500+ proteins from the PDB using restraints from the BioMagResBank. Proteins (2005) 3.41

Identification of transcribed sequences in Arabidopsis thaliana by using high-resolution genome tiling arrays. Proc Natl Acad Sci U S A (2005) 3.21

Probabilistic interaction network of evidence algorithm and its application to complete labeling of peak lists from protein NMR spectroscopy. PLoS Comput Biol (2009) 3.01

BioMagResBank database with sets of experimental NMR constraints corresponding to the structures of over 1400 biomolecules deposited in the Protein Data Bank. J Biomol NMR (2003) 2.74

BioMagResBank databases DOCR and FRED containing converted and filtered sets of experimental NMR restraints and coordinates from over 500 protein PDB structures. J Biomol NMR (2005) 2.71

Method for determining molar concentrations of metabolites in complex solutions from two-dimensional 1H-13C NMR spectra. Anal Chem (2007) 2.46

Outcome of a workshop on archiving structural models of biological macromolecules. Structure (2006) 2.32

Sirt3 promotes the urea cycle and fatty acid oxidation during dietary restriction. Mol Cell (2011) 2.29

Collagen stability: insights from NMR spectroscopic and hybrid density functional computational investigations of the effect of electronegative substituents on prolyl ring conformations. J Am Chem Soc (2002) 2.19

Project management system for structural and functional proteomics: Sesame. J Struct Funct Genomics (2003) 2.19

New bioinformatics resources for metabolomics. Pac Symp Biocomput (2007) 2.19

rNMR: open source software for identifying and quantifying metabolites in NMR spectra. Magn Reson Chem (2009) 1.84

High-resolution iterative frequency identification for NMR as a general strategy for multidimensional data collection. J Am Chem Soc (2005) 1.79

Linear analysis of carbon-13 chemical shift differences and its application to the detection and correction of errors in referencing and spin system identifications. J Biomol NMR (2005) 1.78

Cell-free protein production and labeling protocol for NMR-based structural proteomics. Nat Methods (2004) 1.78

A ligand for the aryl hydrocarbon receptor isolated from lung. Proc Natl Acad Sci U S A (2002) 1.73

Solution structure of the N-domain of Wilson disease protein: distinct nucleotide-binding environment and effects of disease mutations. Proc Natl Acad Sci U S A (2006) 1.72

Auto-induction medium for the production of [U-15N]- and [U-13C, U-15N]-labeled proteins for NMR screening and structure determination. Protein Expr Purif (2005) 1.65

Protein energetic conformational analysis from NMR chemical shifts (PECAN) and its use in determining secondary structural elements. J Biomol NMR (2005) 1.62

PINE-SPARKY: graphical interface for evaluating automated probabilistic peak assignments in protein NMR spectroscopy. Bioinformatics (2009) 1.59

Recommendations of the wwPDB NMR Validation Task Force. Structure (2013) 1.57

Probabilistic Identification of Spin Systems and their Assignments including Coil-Helix Inference as Output (PISTACHIO). J Biomol NMR (2005) 1.56

Simultaneous quantification and identification of individual chemicals in metabolite mixtures by two-dimensional extrapolated time-zero (1)H-(13)C HSQC (HSQC(0)). J Am Chem Soc (2011) 1.53

The Protein Data Bank at 40: reflecting on the past to prepare for the future. Structure (2012) 1.51

Addressing the intrinsic disorder bottleneck in structural proteomics. Proteins (2005) 1.44

Structural basis for the photoconversion of a phytochrome to the activated Pfr form. Nature (2010) 1.42

Solution structure of a ubiquitin-like domain from tubulin-binding cofactor B. J Biol Chem (2004) 1.40

Structural rearrangement of human lymphotactin, a C chemokine, under physiological solution conditions. J Biol Chem (2002) 1.36

Structure and dynamics of the iron-sulfur cluster assembly scaffold protein IscU and its interaction with the cochaperone HscB. Biochemistry (2009) 1.36

The future of the Protein Data Bank. Biopolymers (2012) 1.34

The NMR restraints grid at BMRB for 5,266 protein and nucleic acid PDB entries. J Biomol NMR (2009) 1.30

Intrinsically disordered gamma-subunit of cGMP phosphodiesterase encodes functionally relevant transient secondary and tertiary structure. Proc Natl Acad Sci U S A (2008) 1.30

Comparison of cell-based and cell-free protocols for producing target proteins from the Arabidopsis thaliana genome for structural studies. Proteins (2005) 1.26

Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc Natl Acad Sci U S A (2011) 1.25

Solution structures of spinach acyl carrier protein with decanoate and stearate. Biochemistry (2006) 1.23

The Protein Data Bank archive as an open data resource. J Comput Aided Mol Des (2014) 1.20

Wheat germ cell-free platform for eukaryotic protein production. FEBS J (2006) 1.19

X-ray crystallography reveals a reduced substrate complex of UDP-galactopyranose mutase poised for covalent catalysis by flavin. Biochemistry (2009) 1.18

Disordered form of the scaffold protein IscU is the substrate for iron-sulfur cluster assembly on cysteine desulfurase. Proc Natl Acad Sci U S A (2011) 1.17

Deconvolution of two-dimensional NMR spectra by fast maximum likelihood reconstruction: application to quantitative metabolomics. Anal Chem (2011) 1.17

The sigma-1 receptor protects against cellular oxidative stress and activates antioxidant response elements. Eur J Pharmacol (2012) 1.16

Stable isotope assisted assignment of elemental compositions for metabolomics. Anal Chem (2007) 1.16

Macromolecular structure determination by NMR spectroscopy. Methods Biochem Anal (2003) 1.16

Dynamics and metal ion binding in the U6 RNA intramolecular stem-loop as analyzed by NMR. J Mol Biol (2005) 1.15

Prevention of aggregation after refolding by balanced stabilization-destabilization: production of the Arabidopsis thaliana protein APG8a (At4g21980) for NMR structure determination. Protein Expr Purif (2004) 1.15

Robust, integrated computational control of NMR experiments to achieve optimal assignment by ADAPT-NMR. PLoS One (2012) 1.15

Solution structure of a cyanobacterial phytochrome GAF domain in the red-light-absorbing ground state. J Mol Biol (2008) 1.14

An amphipathic alpha-helix controls multiple roles of brome mosaic virus protein 1a in RNA replication complex assembly and function. PLoS Pathog (2009) 1.13

Solution structure of a late embryogenesis abundant protein (LEA14) from Arabidopsis thaliana, a cellular stress-related protein. Protein Sci (2005) 1.10

Role of band 3 in regulating metabolic flux of red blood cells. Proc Natl Acad Sci U S A (2009) 1.10

Ligand binding and substrate discrimination by UDP-galactopyranose mutase. J Mol Biol (2009) 1.10

Role for NMR in structural genomics. J Struct Funct Genomics (2002) 1.09

Solution structure of the iron-sulfur cluster cochaperone HscB and its binding surface for the iron-sulfur assembly scaffold protein IscU. Biochemistry (2008) 1.08

PONDEROSA-C/S: client-server based software package for automated protein 3D structure determination. J Biomol NMR (2014) 1.08

Solution structure of thioredoxin h1 from Arabidopsis thaliana. Protein Sci (2005) 1.07

Changes in hydrogen-bond strengths explain reduction potentials in 10 rubredoxin variants. Proc Natl Acad Sci U S A (2005) 1.06

N-isotope effects on the Raman spectra of Fe(2)S(2) ferredoxin and Rieske ferredoxin: evidence for structural rigidity of metal sites. J Biol Inorg Chem (2002) 1.06

Characterization of the [2Fe-2S] cluster of Escherichia coli transcription factor IscR. Biochemistry (2012) 1.05

NMR investigations of the Rieske protein from Thermus thermophilus support a coupled proton and electron transfer mechanism. J Am Chem Soc (2010) 1.04

NMR structure of the mengovirus Leader protein zinc-finger domain. FEBS Lett (2008) 1.04

Key amino acid residues involved in multi-point binding interactions between brazzein, a sweet protein, and the T1R2-T1R3 human sweet receptor. J Mol Biol (2010) 1.02

Rieske protein from Thermus thermophilus: 15N NMR titration study demonstrates the role of iron-ligated histidines in the pH dependence of the reduction potential. J Am Chem Soc (2006) 1.02

Specialized Hsp70 chaperone (HscA) binds preferentially to the disordered form, whereas J-protein (HscB) binds preferentially to the structured form of the iron-sulfur cluster scaffold protein (IscU). J Biol Chem (2012) 1.01

PACSY, a relational database management system for protein structure and chemical shift analysis. J Biomol NMR (2012) 1.01

[2Fe-2S]-ferredoxin binds directly to cysteine desulfurase and supplies an electron for iron-sulfur cluster assembly but is displaced by the scaffold protein or bacterial frataxin. J Am Chem Soc (2013) 1.01

Regulation of estrogen receptor α N-terminus conformation and function by peptidyl prolyl isomerase Pin1. Mol Cell Biol (2011) 1.00

NMR determination of pKa values for Asp, Glu, His, and Lys mutants at each variable contiguous enzyme-inhibitor contact position of the turkey ovomucoid third domain. Biochemistry (2003) 1.00

Carbonyl carbon label selective (CCLS) 1H-15N HSQC experiment for improved detection of backbone 13C-15N cross peaks in larger proteins. J Biomol NMR (2007) 1.00

NRG-CING: integrated validation reports of remediated experimental biomolecular NMR data and coordinates in wwPDB. Nucleic Acids Res (2011) 1.00

Early formation of a beta hairpin during folding of staphylococcal nuclease H124L as detected by pulsed hydrogen exchange. Protein Sci (2002) 1.00

Wheat germ cell-free expression system for protein production. Curr Protoc Protein Sci (2006) 0.99

Direct NMR detection of the binding of functional ligands to the human sweet receptor, a heterodimeric family 3 GPCR. J Am Chem Soc (2008) 0.97

Structural insight into the self-sacrifice mechanism of enediyne resistance. ACS Chem Biol (2006) 0.96

Ligand-specific structural changes in the vitamin D receptor in solution. Biochemistry (2011) 0.96

PONDEROSA, an automated 3D-NOESY peak picking program, enables automated protein structure determination. Bioinformatics (2011) 0.96

Small-scale, semi-automated purification of eukaryotic proteins for structure determination. J Struct Funct Genomics (2007) 0.96

ADAPT-NMR Enhancer: complete package for reduced dimensionality in protein NMR spectroscopy. Bioinformatics (2012) 0.96

Structures of proteins of biomedical interest from the Center for Eukaryotic Structural Genomics. J Struct Funct Genomics (2007) 0.96

Differences in the structure and dynamics of the apo- and palmitate-ligated forms of Aedes aegypti sterol carrier protein 2 (AeSCP-2). J Biol Chem (2010) 0.96

One-step purification of bacterially expressed recombinant transducin alpha-subunit and isotopically labeled PDE6 gamma-subunit for NMR analysis. Protein Expr Purif (2006) 0.95

Unique opportunities for NMR methods in structural genomics. J Struct Funct Genomics (2009) 0.95

(13)C[(13)C] 2D NMR: a novel strategy for the study of paramagnetic proteins with slow electronic relaxation rates. J Am Chem Soc (2002) 0.95