NMR paper Intrinsic Allosteric Inhibition of Signaling Proteins by Targeting Rare Interaction States Detected by High-Pressure NMR Spectroscopy.

		BioNMR > Educational resources > Journal club
[NMR paper] Intrinsic Allosteric Inhibition of Signaling Proteins by Targeting Rare Interaction States Detected by High-Pressure NMR Spectroscopy.

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:

View First Unread

Thread Tools

Search this Thread

Rate Thread

Display Modes

11-13-2013, 09:22 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,175

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

Intrinsic Allosteric Inhibition of Signaling Proteins by Targeting Rare Interaction States Detected by High-Pressure NMR Spectroscopy.

Intrinsic Allosteric Inhibition of Signaling Proteins by Targeting Rare Interaction States Detected by High-Pressure NMR Spectroscopy.

Related Articles Intrinsic Allosteric Inhibition of Signaling Proteins by Targeting Rare Interaction States Detected by High-Pressure NMR Spectroscopy.

Angew Chem Int Ed Engl. 2013 Nov 11;

Authors: Kalbitzer HR, Rosnizeck IC, Munte CE, Narayanan SP, Kropf V, Spoerner M

Abstract
A new type of allosteric inhibition by small molecules is proposed that should be applicable to all proteins involved intrinsically in protein-protein interactions. It is based on targeting their rare interaction states that can be detected by high-pressure NMR spectroscopy. An example is the Ras-protein where the protein-protein interaction of Ras with effectors can be modulated by small compounds that bind to the conformational states 1(T) or 1(0).

PMID: 24218090 [PubMed - as supplied by publisher]

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] High-dimensionality (13)C direct-detected NMR experiments for the automatic assignment of intrinsically disordered proteins. High-dimensionality (13)C direct-detected NMR experiments for the automatic assignment of intrinsically disordered proteins. Related Articles High-dimensionality (13)C direct-detected NMR experiments for the automatic assignment of intrinsically disordered proteins. J Biomol NMR. 2013 Nov 8; Authors: Bermel W, Felli IC, Gonnelli L, Ko?mi?ski W, Piai A, Pierattelli R, Zawadzka-Kazimierczuk A Abstract We present three novel exclusively heteronuclear 5D (13)C direct-detected NMR experiments, namely (H(N-flip)N)CONCACON, (HCA)CONCACON and...	nmrlearner	Journal club	0	11-11-2013 01:30 AM
[NMR paper] Impact of Hydrostatic Pressure on an Intrinsically Disordered Protein: A High-Pressure NMR Study of ?-Synuclein. Impact of Hydrostatic Pressure on an Intrinsically Disordered Protein: A High-Pressure NMR Study of ?-Synuclein. Related Articles Impact of Hydrostatic Pressure on an Intrinsically Disordered Protein: A High-Pressure NMR Study of ?-Synuclein. Chembiochem. 2013 Jun 28; Authors: Roche J, Ying J, Maltsev AS, Bax A Abstract The impact of pressure on the backbone (15) N, (1) H and (13) C chemical shifts in N-terminally acetylated ?-synuclein has been evaluated over a pressure range 1-2500 bar. Even while the chemical shifts fall very close...	nmrlearner	Journal club	0	07-03-2013 01:46 PM
[NMR paper] Mechanistic insight into inhibition of two-component system signaling. Mechanistic insight into inhibition of two-component system signaling. Related Articles Mechanistic insight into inhibition of two-component system signaling. Medchemcomm. 2013;4(1):269-277 Authors: Francis S, Wilke KE, Brown DE, Carlson EE Abstract Two-component signal transduction systems (TCSs) are commonly used by bacteria to couple environmental stimuli to adaptive responses. Targeting the highly conserved kinase domain in these systems represents a promising strategy for the design of a broad-spectrum antibiotic; however, development...	nmrlearner	Journal club	0	02-03-2013 10:19 AM
Recombinant proteins incorporating short non-native extensions may display increased aggregation propensity as detected by high resolution NMR spectroscopy Recombinant proteins incorporating short non-native extensions may display increased aggregation propensity as detected by high resolution NMR spectroscopy 26 October 2012 Publication year: 2012 Source:Biochemical and Biophysical Research Communications, Volume 427, Issue 3</br> </br> The use of a recombinant protein to investigate the function of the native molecule requires that the former be obtained with the same amino acid sequence as the template. However, in many cases few additional residues are artificially introduced for cloning or purification purposes,...	nmrlearner	Journal club	0	02-03-2013 10:13 AM
Interaction of epothilone B (patupilone) with microtubules as detected by two-dimensional solid-state NMR spectroscopy. Interaction of epothilone B (patupilone) with microtubules as detected by two-dimensional solid-state NMR spectroscopy. Interaction of epothilone B (patupilone) with microtubules as detected by two-dimensional solid-state NMR spectroscopy. Angew Chem Int Ed Engl. 2010 Oct 4;49(41):7504-7 Authors: Kumar A, Heise H, Blommers MJ, Krastel P, Schmitt E, Petersen F, Jeganathan S, Mandelkow EM, Carlomagno T, Griesinger C, Baldus M	nmrlearner	Journal club	0	03-13-2011 04:01 AM
[NMR paper] High-pressure NMR spectroscopy for characterizing folding intermediates and denatured High-pressure NMR spectroscopy for characterizing folding intermediates and denatured states of proteins. Related Articles High-pressure NMR spectroscopy for characterizing folding intermediates and denatured states of proteins. Methods. 2004 Sep;34(1):133-43 Authors: Kamatari YO, Kitahara R, Yamada H, Yokoyama S, Akasaka K Extensive structural studies using high-pressure NMR spectroscopy have recently been carried out on proteins, which potentially contribute to our understanding of the mechanisms of protein folding. Pressure shifts the...	nmrlearner	Journal club	0	11-24-2010 10:01 PM
[NMR paper] Selective inhibition of Src SH2 by a novel thiol-targeting tricarbonyl-modified inhib Selective inhibition of Src SH2 by a novel thiol-targeting tricarbonyl-modified inhibitor and mechanistic analysis by (1)H/(13)C NMR spectroscopy. Related Articles Selective inhibition of Src SH2 by a novel thiol-targeting tricarbonyl-modified inhibitor and mechanistic analysis by (1)H/(13)C NMR spectroscopy. Bioorg Med Chem Lett. 2001 Jul 9;11(13):1665-9 Authors: Sundaramoorthi R, Siedem C, Vu CB, Dalgarno DC, Laird EC, Botfield MC, Combs AB, Adams SE, Yuan RW, Weigele M, Narula SS Detailed analysis of Src SH2 binding by peptides containing a...	nmrlearner	Journal club	0	11-19-2010 08:44 PM
[NMR images] High pressure NMR spectroscopy http://www.biologie.uni-regensburg.de/Biophysik/Kalbitzer/c2c/Grafik/pArnold_1.jpg biologie.uni-regensburg.de 1/11/2010 8:48:44 AM GMT High pressure NMR spectroscopy More...	nmrlearner	NMR pictures	0	11-01-2010 09:23 AM

« 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