Protein structure determination from NMR chemical shifts - pnas.org

		BioNMR > NMR community > Online News
Protein structure determination from NMR chemical shifts - pnas.org

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

Thread Tools

Search this Thread

Rate Thread

Display Modes

10-10-2024, 02:30 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,732

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

Protein structure determination from NMR chemical shifts - pnas.org

Protein structure determination from NMR chemical shifts - pnas.org

Protein structure determination from NMR chemical shifts pnas.org Read here

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
NMR data collection and analysis protocol for high-throughput protein structure determination \| Proceedings of the ... - pnas.org NMR data collection and analysis protocol for high-throughput protein structure determination \| Proceedings of the ... - pnas.org NMR data collection and analysis protocol for high-throughput protein structure determination \| Proceedings of the ... pnas.org Read here	nmrlearner	Online News	0	12-28-2023 10:50 PM
Membrane protein isolation and structure determination in cell ... - pnas.org Membrane protein isolation and structure determination in cell ... - pnas.org Membrane protein isolation and structure determination in cell ... pnas.org Read here	nmrlearner	Online News	0	06-06-2023 09:06 PM
[NMR paper] Determination of pseudocontact shifts of low-populated excited states by NMR chemical exchange saturation transfer. Determination of pseudocontact shifts of low-populated excited states by NMR chemical exchange saturation transfer. Determination of pseudocontact shifts of low-populated excited states by NMR chemical exchange saturation transfer. Phys Chem Chem Phys. 2016 Mar 22; Authors: Ma RS, Li QF, Wang AD, Zhang JH, Liu ZJ, Wu JH, Su XC, Ruan K Abstract Despite the critical roles of excited states in protein functions, they remain intractable for most structural studies because of their notably low populations. Chemical shifts for...	nmrlearner	Journal club	0	03-24-2016 04:30 PM
Integral membrane protein structure determination using pseudocontact shifts Integral membrane protein structure determination using pseudocontact shifts Abstract Obtaining enough experimental restraints can be a limiting factor in the NMR structure determination of larger proteins. This is particularly the case for large assemblies such as membrane proteins that have been solubilized in a membrane-mimicking environment. Whilst in such cases extensive deuteration strategies are regularly utilised with the aim to improve the spectral quality, these schemes often limit the number of NOEs obtainable, making complementary...	nmrlearner	Journal club	0	01-21-2015 08:39 PM
Determination of the Structures of Symmetric Protein Oligomers from NMR Chemical Shifts and Residual Dipolar Couplings. Determination of the Structures of Symmetric Protein Oligomers from NMR Chemical Shifts and Residual Dipolar Couplings. Determination of the Structures of Symmetric Protein Oligomers from NMR Chemical Shifts and Residual Dipolar Couplings. J Am Chem Soc. 2011 Apr 5; Authors: Sgourakis NG, Lange OF, Dimaio F, Andre? I, Fitzkee NC, Rossi P, Montelione GT, Bax A, Baker D Symmetric protein dimers, trimers, and higher-order cyclic oligomers play key roles in many biological processes. However, structural studies of oligomeric systems by solution NMR...	nmrlearner	Journal club	0	04-07-2011 09:54 PM
Determination of the Structures of Symmetric Protein Oligomers from NMR Chemical Shifts and Residual Dipolar Couplings Determination of the Structures of Symmetric Protein Oligomers from NMR Chemical Shifts and Residual Dipolar Couplings Nikolaos G. Sgourakis, Oliver F. Lange, Frank DiMaio, Ingemar Andre?, Nicholas C. Fitzkee, Paolo Rossi, Gaetano T. Montelione, Ad Bax and David Baker http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja111318m/aop/images/medium/ja-2010-11318m_0008.gif Journal of the American Chemical Society DOI: 10.1021/ja111318m http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA...	nmrlearner	Journal club	0	04-06-2011 10:54 AM
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...	Nikolai	Books	0	08-20-2008 09:38 PM
Structure Determination of Protein-Ligand Complexes by Transferred Paramagnetic Shifts Structure Determination of Protein-Ligand Complexes by Transferred Paramagnetic Shifts Michael John, Guido Pintacuda, Ah Young Park, Nicholas E. Dixon, and Gottfried Otting J. Am. Chem. Soc.; 2006; 128(39) pp 12910 - 12916; (Article) Abstract: Rational drug design depends on the knowledge of the three-dimensional (3D) structure of complexes between proteins and lead compounds of low molecular weight. A novel nuclear magnetic resonance (NMR) spectroscopy strategy based on the paramagnetic effects from lanthanide ions allows the rapid determination of the 3D structure of a small...	administrator	Protein-ligand interactions	1	03-30-2007 03:03 PM

« Previous Thread | Next Thread »

Posting Rules
You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is On Trackbacks are Off Pingbacks are Off Refbacks are Off