New structure of key protein holds clues for better drug design - Phys.Org

		BioNMR > NMR community > Online News
New structure of key protein holds clues for better drug design - Phys.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

12-29-2017, 02:19 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

New structure of key protein holds clues for better drug design - Phys.Org

Phys.Org

New structure of key protein holds clues for better drug design
Phys.Org
To solve this problem, the researchers used a technique called nuclear magnetic resonance (NMR) spectroscopy, which creates strong magnetic fields to locate the positions of probes in a sample. Wthrich is a world-renowned leader in the NMR field and ...

and more »

New structure of key protein holds clues for better drug design - Phys.Org
More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] NMR in structure-based drug design. NMR in structure-based drug design. Related Articles NMR in structure-based drug design. Essays Biochem. 2017 Nov 08;61(5):485-493 Authors: Carneiro MG, Ab E, Theisgen S, Siegal G Abstract NMR spectroscopy is a powerful technique that can provide valuable structural information for drug discovery endeavors. Here, we discuss the strengths (and limitations) of NMR applications to structure-based drug discovery, highlighting the different levels of resolution and throughput obtainable. Additionally, the emerging field of...	nmrlearner	Journal club	0	11-10-2017 05:01 PM
Completing the drug design jigsaw - Phys.Org http://www.bionmr.com//t2.gstatic.com/images?q=tbn:ANd9GcQhFU_n3xJjdF9LCLpyxwnT0W73BwPH27r7v3gM41u3VspP4rGACwfL92Ey-OKlklxYuhxi3E8A Phys.Org <img alt="" height="1" width="1"> Completing the drug design jigsaw Phys.Org It adapts a technique known as ligand-based Nuclear Magnetic Resonance (NMR) spectroscopy to reveal which amino acids in the protein are involved in binding to the drug. They were able to do this by examining the drug and without having to label the ... and more » Completing the drug design jigsaw - Phys.Org	nmrlearner	Online News	0	10-05-2017 07:28 PM
Protein revealed as glue that holds biomolecules within the nucleolus - Phys.Org <img alt="" height="1" width="1"> Protein revealed as glue that holds biomolecules within the nucleolus Phys.Org Researchers have determined that the protein nucleophosmin (NPM1) serves as glue that holds proteins and RNA together in the nucleolus and showed how NPM1's structure makes it ideal for the job. St. Jude Children's Research Hospital scientists led the ... Scientists Reveal Protein That Works as Glue Holding Together Biomolecules Within NucleolusScicasts (press release) (blog) all 3 news articles » Protein revealed as glue that holds biomolecules within the nucleolus...	nmrlearner	Online News	0	03-01-2016 05:59 PM
[NMR paper] Structure-based drug design: NMR-based approach for ligand-protein interactions. Structure-based drug design: NMR-based approach for ligand-protein interactions. Related Articles Structure-based drug design: NMR-based approach for ligand-protein interactions. Drug Discov Today Technol. 2006;3(3):241-5 Authors: Zhang X, Tang H, Ye C, Liu M Abstract The realization of the powerfulness in analyzing ligand-protein interactions at the atomic resolution has made NMR techniques increasingly attractive in drug discovery and development. With some significant new method developments during the past few years,...	nmrlearner	Journal club	0	07-06-2014 08:28 PM
[NMR paper] High-Quality NMR Structure of Human Anti-Apoptotic Protein Domain Mcl-1(171-327) for Cancer Drug Design. High-Quality NMR Structure of Human Anti-Apoptotic Protein Domain Mcl-1(171-327) for Cancer Drug Design. Related Articles High-Quality NMR Structure of Human Anti-Apoptotic Protein Domain Mcl-1(171-327) for Cancer Drug Design. PLoS One. 2014;9(5):e96521 Authors: Liu G, Poppe L, Aoki K, Yamane H, Lewis J, Szyperski T Abstract A high-quality NMR solution structure is presented for protein hMcl-1(171-327) which comprises residues 171-327 of the human anti-apoptotic protein Mcl-1 (hMcl-1). Since this construct contains the three...	nmrlearner	Journal club	0	05-03-2014 10:42 PM
New Protein Evolution Insight Could Improve Drug Design - Drug Discovery & Development <img alt="" height="1" width="1" /> New Protein Evolution Insight Could Improve Drug Design Drug Discovery & Development The team used a variety of techniques to characterize the two versions of the enzyme, including X-ray crystallography and nuclear magnetic resonance, analyses of DHFR amino-acid sequences and evaluations of the enzyme's functionality in cells and in ... and more » New Protein Evolution Insight Could Improve Drug Design - Drug Discovery & Development More...	nmrlearner	Online News	0	10-01-2013 09:43 AM
Structure-Based Drug Design Structure-Based Drug Design http://www.spectroscopynow.com/common/images/thumbnails/no_img.gifThe 13th Structure-Based Drug Discovery conference will feature the development of in silico technology as well as experimental approaches useful for accurately predicting and modeling the structures of proteins in structure-based drug design efforts. More...	nmrlearner	Conferences	0	05-22-2013 04:43 PM
NMR and protein structure in drug design: application to cyclotides and conotoxins. NMR and protein structure in drug design: application to cyclotides and conotoxins. NMR and protein structure in drug design: application to cyclotides and conotoxins. Eur Biophys J. 2011 Feb 3; Authors: Daly NL, Rosengren KJ, Troeira Henriques S, Craik DJ Nuclear magnetic resonance spectroscopy (NMR) is a powerful technique for determining the structures, dynamics and interactions of molecules, and the derived information can be useful in drug design applications. This article gives a brief overview of the role of NMR in drug design and...	nmrlearner	Journal club	0	02-04-2011 11:34 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