[NMR paper] Peptide-Guided Assembly of Repeat Protein Fragments
Peptide-Guided Assembly of Repeat Protein Fragments
In this communication we present the peptide-guided assembly of complementary fragments of designed armadillo repeat proteins (dArmRPs) to create proteins that bind peptides not only with high affinity but also with good selectivity. We recently demonstrated that complementary N- and C-terminal fragments of dArmRPs form high-affinity complexes that resemble the structure of the full-length protein, and that these complexes bind their target peptides. We now demonstrate that dArmRPs can be split such that the fragments assemble only in...
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02-26-2018 04:18 PM
[NMR paper] High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J Am Chem Soc. 2017 Nov 30;:
Authors: Proudfoot A, Bussiere DE, Lingel A
Abstract
Structure-based drug design is an integral part of modern day drug discovery and requires detailed structural characterization of...
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12-01-2017 09:24 PM
[NMR paper] The AUDANA algorithm for automated protein 3D structure determination from NMR NOE data.
The AUDANA algorithm for automated protein 3D structure determination from NMR NOE data.
The AUDANA algorithm for automated protein 3D structure determination from NMR NOE data.
J Biomol NMR. 2016 May 12;
Authors: Lee W, Petit CM, Cornilescu G, Stark JL, Markley JL
Abstract
We introduce AUDANA (Automated Database-Assisted NOE Assignment), an algorithm for determining three-dimensional structures of proteins from NMR data that automates the assignment of 3D-NOE spectra, generates distance constraints, and conducts iterative high...
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05-14-2016 11:21 AM
The AUDANA algorithm for automated protein 3D structure determination from NMR NOE data
The AUDANA algorithm for automated protein 3D structure determination from NMR NOE data
Abstract
We introduce AUDANA (Automated Database-Assisted NOE Assignment), an algorithm for determining three-dimensional structures of proteins from NMR data that automates the assignment of 3D-NOE spectra, generates distance constraints, and conducts iterative high temperature molecular dynamics and simulated annealing. The protein sequence, chemical shift assignments, and NOE spectra are the only required inputs. Distance constraints generated automatically from...
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05-13-2016 09:30 AM
Automatic Protein Structure Determination from Sparse NMR Spectroscopy Data
Automatic Protein Structure Determination from Sparse NMR Spectroscopy Data
Publication date: 16 February 2016
Source:Biophysical Journal, Volume 110, Issue 3, Supplement 1</br>
Author(s): Justin L. MacCallum, Yuefeng Tang, Y. Janet Huang, Gaetano T. Montelione</br>
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02-17-2016 07:50 PM
[NMR paper] De novo protein structure determination using sparse NMR data.
De novo protein structure determination using sparse NMR data.
Related Articles De novo protein structure determination using sparse NMR data.
J Biomol NMR. 2000 Dec;18(4):311-8
Authors: Bowers PM, Strauss CE, Baker D
We describe a method for generating moderate to high-resolution protein structures using limited NMR data combined with the ab initio protein structure prediction method Rosetta. Peptide fragments are selected from proteins of known structure based on sequence similarity and consistency with chemical shift and NOE data. Models...
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11-19-2010 08:29 PM
[NMR paper] Determination of the NMR structure of the complex between U1A protein and its RNA pol
Determination of the NMR structure of the complex between U1A protein and its RNA polyadenylation inhibition element.
Related Articles Determination of the NMR structure of the complex between U1A protein and its RNA polyadenylation inhibition element.
J Biomol NMR. 1998 Jan;11(1):59-84
Authors: Howe PW, Allain FH, Varani G, Neuhaus D
RNA-protein recognition is critical to post-transcriptional regulation of gene expression, yet poorly understood at the molecular level. The relatively slow progress in understanding this important area of...
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11-17-2010 11:06 PM
Analysis of NMR Chemical Shifts in Peptide & Protein Structure Determination-Wang '08
Analysis of NMR Chemical Shifts in Peptide and Protein Structure Determination
By Liya Wang (2008)
Amazon book description
Chemical shifts provide detailed information about non-covalent structure, solvent interactions, ionization constants, ring orientations, hydrogen bond interactions, and other phenomena. Since different chemical shift data sets are not necessarily comparable without corrections or adjustments, the applicability of statistical analysis of NMR chemical shifts to biomolecules has so far been limited. We use the term "congruent" to describe data sets that can be...
Low information NMR data guided protein-peptide complex structure determination with MELDXMD
Linear Mode
