Related ArticlesFluorinated Aromatic Amino Acids are Sensitive 19F NMR Probes for Bromodomain-Ligand Interactions.
ACS Chem Biol. 2014 Oct 7;
Authors: Mishra NK, Urick AK, Ember S, Schonbrunn E, Pomerantz WC
Abstract
We describe a 19F NMR method for detecting bromodomain-ligand interactions using fluorine-labeled aromatic amino acids due to the conservation of aromatic residues in the bromodomain binding site. We test the sensitivity, accuracy, and speed of this method with small molecule ligands (+)-JQ1, BI2536, Dinaciclib, TG101348, and acetaminophen using three bromodomains Brd4, BrdT and BPTF. Simplified 19F NMR spectra allowed for simultaneous testing of multiple bromodomains to assess selectivity and identification of a new BPTF ligand. Fluorine labeling only modestly affected Brd4 structure and function assessed by isothermal titration calorimetry, circular dichroism, and x-ray crystallography. The speed, ease of interpretation, and low concentration of protein needed for binding experiments affords a new method to discover and characterize both native and new ligands.
PMID: 25290579 [PubMed - as supplied by publisher]
Development and application of aromatic [13C, 1H] SOFAST-HMQC NMR experiment for nucleic acids
Development and application of aromatic SOFAST-HMQC NMR experiment for nucleic acids
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-HMQC) for imino protons, in addition to rendering rapid pulsing, has been demonstrated to yield significant improvements in sensitivity per...
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09-04-2014 02:31 PM
15N-permethylated amino acids as efficient probes for MRI-DNP applications
From The DNP-NMR Blog:
15N-permethylated amino acids as efficient probes for MRI-DNP applications
Chiavazza, E., et al., 15N-permethylated amino acids as efficient probes for MRI-DNP applications. Contrast Media Mol Imaging, 2013. 8(5): p. 417-21.
http://www.ncbi.nlm.nih.gov/pubmed/23740812
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02-21-2014 08:51 PM
[NMR paper] Fluorinated Carbohydrates as Lectin Ligands: Dissecting Glycan-Cyanovirin Interactions by Using 19 F NMR Spectroscopy.
Fluorinated Carbohydrates as Lectin Ligands: Dissecting Glycan-Cyanovirin Interactions by Using 19 F NMR Spectroscopy.
Fluorinated Carbohydrates as Lectin Ligands: Dissecting Glycan-Cyanovirin Interactions by Using 19 F NMR Spectroscopy.
Chemistry. 2013 Feb 28;
Authors: Matei E, André S, Glinschert A, Infantino AS, Oscarson S, Gabius HJ, Gronenborn AM
Abstract
NMR spectroscopy and isothermal titration calorimetry (ITC) are powerful methods to investigate ligand-protein interactions. Here, we present a versatile and sensitive fluorine NMR...
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03-01-2013 09:57 PM
[Question from NMRWiki Q&A forum] 13C quaternary centers in amino acids
13C quaternary centers in amino acids
I've got a sample of about 5mg of an amino acid that is the final product of a a synthesis. Due to the long relaxation time that the carboxylic and the alpha C we only got a 200 varian Mercury instrument and we're unable to obtain those signals. I was wondering if an APT is better than DEPT, because we're only interested in this signals and i've heard the overall pulse sequence is shorter than the DEPT, increasing the number of scans in the same period of time.
Check if somebody has answered this question on NMRWiki QA forum
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09-01-2011 07:20 AM
[Question from NMRWiki Q&A forum] 13C cuaternary centers in amino acids
13C cuaternary centers in amino acids
I've got a sample of about 5mg of an amino acid that is the final product of a a synthesis. Due to the long relaxation time that the carboxilic and the alpha C we only got a 200 varian Mercury instrument and we're unable to obtain those signals. I was wondering if an APT is better than DEPT, because we're only interested in this signals and i've heart the overall pulse sequence is shorter than the DEPT, increasing the number of scans in the same period of time
Check if somebody has answered this question on NMRWiki QA forum
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08-31-2011 07:12 PM
[KPWU blog] Names of Atoms of Amino acids
Names of Atoms of Amino acids
I really hate the inconsistent nomenclature of atoms of amino acids between different programs/database. I finished all NOESY assignment on Sparky using PDB nomenclature and the Sparky XPLOR constraint plugin (shortcut xf) doesn’t take care of the differences between XPLOR and PDB. Thus I have to find a table showing me the differences of names http://stats.wordpress.com/b.gif?host=kpwu.wordpress.com&blog=76132&post=262&subd=kpwu&ref=&feed=1
Go to KPWU blog to read complete post.
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01-28-2011 04:52 AM
[NMR paper] TINS, target immobilized NMR screening: an efficient and sensitive method for ligand
TINS, target immobilized NMR screening: an efficient and sensitive method for ligand discovery.
Related Articles TINS, target immobilized NMR screening: an efficient and sensitive method for ligand discovery.
Chem Biol. 2005 Feb;12(2):207-16
Authors: Vanwetswinkel S, Heetebrij RJ, van Duynhoven J, Hollander JG, Filippov DV, Hajduk PJ, Siegal G
We propose a ligand screening method, called TINS (target immobilized NMR screening), which reduces the amount of target required for the fragment-based approach to drug discovery. Binding is detected by...
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11-24-2010 11:14 PM
[NMR paper] Assigning the NMR spectra of aromatic amino acids in proteins: analysis of two Ets po
Assigning the NMR spectra of aromatic amino acids in proteins: analysis of two Ets pointed domains.
Related Articles Assigning the NMR spectra of aromatic amino acids in proteins: analysis of two Ets pointed domains.
Biochem Cell Biol. 1998;76(2-3):379-90
Authors: Slupsky CM, Gentile LN, McIntosh LP
The measurement of interproton nuclear Overhauser enhancements (NOEs) and dihedral angle restraints of aromatic amino acids is a critical step towards determining the structure of a protein. The complete assignment of the resonances from aromatic...
Fluorinated Aromatic Amino Acids are Sensitive 19F NMR Probes for Bromodomain-Ligand Interactions.
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