NMR paper NMR spectroscopic characterization of new nonsymmetrical bispyridinium choline kinase inhibitors.

		BioNMR > Educational resources > Journal club
[NMR paper] NMR spectroscopic characterization of new nonsymmetrical bispyridinium choline kinase inhibitors.

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

05-13-2015, 12:28 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

NMR spectroscopic characterization of new nonsymmetrical bispyridinium choline kinase inhibitors.

Related Articles NMR spectroscopic characterization of new nonsymmetrical bispyridinium choline kinase inhibitors.

Magn Reson Chem. 2014 Aug;52(8):470-3

Authors: Rubio-Ruiz B, Espinosa A, Entrena Guadix A, Conejo-García A

PMID: 24916016 [PubMed - indexed for MEDLINE]

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
NMR spectroscopic characterization of ms protein folding NMR spectroscopic characterization of ms protein folding NMR spectroscopic characterization of millisecond protein folding by transverse relaxation dispersion measurements. More...	nmrlearner	General	0	02-09-2015 07:49 PM
NMR Spectroscopic Characterization of ms Protein Folding NMR Spectroscopic Characterization of ms Protein Folding NMR Spectroscopic Characterization of Millisecond Proteinby Transverse Relaxation Dispersion Measurements-CspB More...	nmrlearner	General	0	01-29-2015 05:32 AM
[NMR paper] NMR reveals the allosteric opening and closing of Abelson tyrosine kinase by ATP-site and myristoyl pocket inhibitors. NMR reveals the allosteric opening and closing of Abelson tyrosine kinase by ATP-site and myristoyl pocket inhibitors. Related Articles NMR reveals the allosteric opening and closing of Abelson tyrosine kinase by ATP-site and myristoyl pocket inhibitors. Proc Natl Acad Sci U S A. 2013 Nov 4; Authors: Skora L, Mestan J, Fabbro D, Jahnke W, Grzesiek S Abstract Successful treatment of chronic myelogenous leukemia is based on inhibitors binding to the ATP site of the deregulated breakpoint cluster region (Bcr)-Abelson tyrosine kinase (Abl)...	nmrlearner	Journal club	0	11-06-2013 10:20 PM
[NMR paper] Kinase in Motion: Insights into the Dynamic Nature of p38? by High-Pressure NMR Spectroscopic Studies. Kinase in Motion: Insights into the Dynamic Nature of p38? by High-Pressure NMR Spectroscopic Studies. Kinase in Motion: Insights into the Dynamic Nature of p38? by High-Pressure NMR Spectroscopic Studies. Chembiochem. 2013 Jul 10; Authors: Nielsen G, Jonker HR, Vajpai N, Grzesiek S, Schwalbe H Abstract Protein kinases are highly dynamic and complex molecules. Here we present high-pressure and relaxation studies of the activated p38? mitogen-activated protein kinase (MAPK). p38? plays a central role in inflammatory diseases such as...	nmrlearner	Journal club	0	07-12-2013 06:01 PM
[NMR paper] Molecular docking and NMR binding studies to identify novel inhibitors of human phosphomevalonate kinase. Molecular docking and NMR binding studies to identify novel inhibitors of human phosphomevalonate kinase. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Molecular docking and NMR binding studies to identify novel inhibitors of human phosphomevalonate kinase. Biochem Biophys Res Commun. 2013 Jan 4;430(1):313-9 Authors: Boonsri P, Neumann TS, Olson AL, Cai S, Herdendorf TJ, Miziorko HM, Hannongbua S, Sem DS Abstract Phosphomevalonate kinase (PMK)...	nmrlearner	Journal club	0	05-15-2013 03:12 PM
[NMR paper] Strategies for the NMR-based identification and optimization of allosteric protein kinase inhibitors. Strategies for the NMR-based identification and optimization of allosteric protein kinase inhibitors. Related Articles Strategies for the NMR-based identification and optimization of allosteric protein kinase inhibitors. Chembiochem. 2005 Sep;6(9):1607-10 Authors: Jahnke W, Blommers MJ, Fernández C, Zwingelstein C, Amstutz R	nmrlearner	Journal club	0	12-01-2010 06:56 PM
[NMR paper] Spectroscopic characterization of nanoErythrosomes in the absence and presence of con Spectroscopic characterization of nanoErythrosomes in the absence and presence of conjugated polyethyleneglycols: an FTIR and (31)P-NMR study. Related Articles Spectroscopic characterization of nanoErythrosomes in the absence and presence of conjugated polyethyleneglycols: an FTIR and (31)P-NMR study. Biochim Biophys Acta. 2002 Aug 31;1564(2):317-24 Authors: Pouliot R, Saint-Laurent A, Chypre C, Audet R, Vitté-Mony I, -Gaudreault RC, Auger M We have recently developed from red blood cells a new delivery system called nanoErythrosomes. These...	nmrlearner	Journal club	0	11-24-2010 08:58 PM
[NMR paper] Structural characterization of the interactions of optimized product inhibitors with Structural characterization of the interactions of optimized product inhibitors with the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein by NMR and modelling studies. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Structural characterization of the interactions of optimized product inhibitors with the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein by NMR and modelling studies. J Mol Biol. 1999 Jun 4;289(2):385-96 Authors: Cicero...	nmrlearner	Journal club	0	08-21-2010 04:03 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