NMR paper Mass Spectrometry Detection and Imaging of a Non-Covalent Protein–Drug Complex in Tissue from Orally Dosed Rats

		BioNMR > Educational resources > Journal club
[NMR paper] Mass Spectrometry Detection and Imaging of a Non-Covalent Protein–Drug Complex in Tissue from Orally Dosed Rats

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

07-19-2022, 05:10 PM

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

Mass Spectrometry Detection and Imaging of a Non-Covalent Protein–Drug Complex in Tissue from Orally Dosed Rats

Mass Spectrometry Detection and Imaging of a Non-Covalent Protein–Drug Complex in Tissue from Orally Dosed Rats

Angewandte Chemie International Edition, EarlyView.

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] Native Ambient Mass Spectrometry of an Intact Membrane Protein Assembly and Soluble Protein Assemblies Directly from Lens Tissue Native Ambient Mass Spectrometry of an Intact Membrane Protein Assembly and Soluble Protein Assemblies Directly from Lens Tissue Angewandte Chemie International Edition, EarlyView. More...	nmrlearner	Journal club	0	06-23-2022 06:33 AM
[NMR paper] Intracellular Protein–Drug Interactions Probed by Direct Mass Spectrometry of Cell Lysates Intracellular Protein–Drug Interactions Probed by Direct Mass Spectrometry of Cell Lysates Angewandte Chemie International Edition, EarlyView. More...	nmrlearner	Journal club	0	07-22-2021 11:06 AM
[NMR paper] Covalent Probes for Aggregated Protein Imaging via Michael Addition Covalent Probes for Aggregated Protein Imaging via Michael Addition Angewandte Chemie International Edition, Accepted Article. More...	nmrlearner	Journal club	0	03-03-2021 05:03 PM
Membrane Protein Structure in Live Cells: Methodology for Studying Drug Interaction by Mass Spectrometry-Based Footprinting Membrane Protein Structure in Live Cells: Methodology for Studying Drug Interaction by Mass Spectrometry-Based Footprinting http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.7b00874/20171220/images/medium/bi-2017-00874m_0009.gif Biochemistry DOI: 10.1021/acs.biochem.7b00874 http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/m9uAQk5ldxQ More...	nmrlearner	Journal club	0	12-20-2017 10:12 PM
[NMR paper] Flexible stoichiometry and asymmetry of the PIDDosome core complex by heteronuclear NMR spectroscopy and mass spectrometry. Flexible stoichiometry and asymmetry of the PIDDosome core complex by heteronuclear NMR spectroscopy and mass spectrometry. Flexible stoichiometry and asymmetry of the PIDDosome core complex by heteronuclear NMR spectroscopy and mass spectrometry. J Mol Biol. 2014 Dec 17; Authors: Nematollahi LA, Garza-Garcia A, Bechara C, Esposito D, Morgner N, Robinson CV, Driscoll PC Abstract Homotypic death domain (DD)-DD interactions are important in the assembly of oligomeric signalling complexes such as the PIDDosome that acts as a...	nmrlearner	Journal club	0	12-22-2014 08:42 PM
[NMR paper] Identification of differential protein binding affinities in an atropisomeric pharmaceutical compound using non-covalent mass spectrometry, equilibrium dialysis and NMR. Identification of differential protein binding affinities in an atropisomeric pharmaceutical compound using non-covalent mass spectrometry, equilibrium dialysis and NMR. Related Articles Identification of differential protein binding affinities in an atropisomeric pharmaceutical compound using non-covalent mass spectrometry, equilibrium dialysis and NMR. Anal Chem. 2013 May 22; Authors: Maple HJ, Garlish RA, Whitcombe I, Hold A, Prosser CE, Ford D, Mackenzie H, Crosby J, Porter J, Taylor RJ, Crump MP Abstract Atropisomerism of...	nmrlearner	Journal club	0	05-24-2013 10:44 PM
[NMR paper] Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spect Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spectroscopist. Related Articles Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spectroscopist. Structure. 1994 Jun 15;2(6):465-7 Authors: Chait BT	nmrlearner	Journal club	0	08-22-2010 03:33 AM
[NMR paper] Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spect Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spectroscopist. Related Articles Mass spectrometry--a useful tool for the protein X-ray crystallographer and NMR spectroscopist. Structure. 1994 Jun 15;2(6):465-7 Authors: Chait BT	nmrlearner	Journal club	0	08-22-2010 03:33 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