Elucidation of the structure and intermolecular interactions of a reversible cyclic-p

		BioNMR > Educational resources > Journal club
Elucidation of the structure and intermolecular interactions of a reversible cyclic-p

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

Rating:

Display Modes

08-20-2010, 01:12 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,779

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

Elucidation of the structure and intermolecular interactions of a reversible cyclic-p

Elucidation of the structure and intermolecular interactions of a reversible cyclic-peptide inhibitor of the proteasome by NMR spectroscopy and molecular modeling.

Related Articles Elucidation of the structure and intermolecular interactions of a reversible cyclic-peptide inhibitor of the proteasome by NMR spectroscopy and molecular modeling.

Angew Chem Int Ed Engl. 2010 May 25;49(23):3934-8

Authors: Stauch B, Simon B, Basile T, Schneider G, Malek NP, Kalesse M, Carlomagno T

PMID: 20408152 [PubMed - indexed for MEDLINE]

Source: PubMed

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
New Book on Computer-Assisted Structure Elucidation Source: Ryan's blog New Book on Computer-Assisted Structure Elucidation It's been a very long time since my last post. I apologize for that, but I can assure that my posting absence has not been due to lack of quality things to talk about. Hopefully this post will help me... Read more...	nmrlearner	Books	0	02-15-2012 04:01 PM
New Book on Computer-Assisted Structure Elucidation Source: Ryan's blog New Book on Computer-Assisted Structure Elucidation It's been a very long time since my last post. I apologize for that, but I can assure that my posting absence has not been due to lack of quality things to talk about. Hopefully this post will help me... Read more...	nmrlearner	Books	0	02-15-2012 03:51 PM
Intermolecular Structure Determination of Amyloid Fibrils with Magic-Angle Spinning and Dynamic Nuclear Polarization NMR Intermolecular Structure Determination of Amyloid Fibrils with Magic-Angle Spinning and Dynamic Nuclear Polarization NMR Marvin J. Bayro, Galia T. Debelouchina, Matthew T. Eddy, Neil R. Birkett, Catherine E. MacPhee, Melanie Rosay, Werner E. Maas, Christopher M. Dobson and Robert G. Griffin http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja203756x/aop/images/medium/ja-2011-03756x_0002.gif Journal of the American Chemical Society DOI: 10.1021/ja203756x http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA...	nmrlearner	Journal club	0	08-13-2011 02:47 AM
Intermolecular structure determination of amyloid fibrils with magic-angle spinning and dynamic nuclear polarization NMR. Intermolecular structure determination of amyloid fibrils with magic-angle spinning and dynamic nuclear polarization NMR. Intermolecular structure determination of amyloid fibrils with magic-angle spinning and dynamic nuclear polarization NMR. J Am Chem Soc. 2011 Jul 21; Authors: Bayro MJ, Debelouchina GT, Eddy MT, Birkett NR, Macphee CE, Rosay MM, Maas WE, Dobson CM, Griffin RG We describe magic-angle spinning NMR experiments designed to elucidate the interstrand architecture of amyloid fibrils. Three methods are introduced for this purpose, two...	nmrlearner	Journal club	0	07-23-2011 08:54 AM
[NMR paper] Protein structure elucidation from NMR proton densities. Protein structure elucidation from NMR proton densities. Related Articles Protein structure elucidation from NMR proton densities. Proc Natl Acad Sci U S A. 2002 May 14;99(10):6713-8 Authors: Grishaev A, Llinas M The NMR-generated foc proton density affords a template to which the molecule has to be fitted to derive the structure. Here we present a computational protocol that achieves this goal. H(N) atoms are readily recognizable from (1)H/(2)H exchange or (1)H/(15)N heteronuclear single quantum correlation (HSQC) experiments. The primary...	nmrlearner	Journal club	0	11-24-2010 08:49 PM
[NMR paper] Determination of the structure of the N-terminal splice region of the cyclic AMP-spec Determination of the structure of the N-terminal splice region of the cyclic AMP-specific phosphodiesterase RD1 (RNPDE4A1) by 1H NMR and identification of the membrane association domain using chimeric constructs. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--highwire.stanford.edu-icons-externalservices-pubmed-standard-jbc_full_free.gif Related Articles Determination of the structure of the N-terminal splice region of the cyclic AMP-specific phosphodiesterase RD1 (RNPDE4A1) by 1H NMR and identification of the membrane association domain using chimeric constructs. ...	nmrlearner	Journal club	0	08-22-2010 02:20 PM
[NMR paper] Crystal structure and NMR conformation of a cyclic pseudotetrapeptide containing uret Crystal structure and NMR conformation of a cyclic pseudotetrapeptide containing urethane backbone linkages. Related Articles Crystal structure and NMR conformation of a cyclic pseudotetrapeptide containing urethane backbone linkages. Biopolymers. 1994 Mar;34(3):403-14 Authors: Parkinson GN, Wu Y, Fan P, Kohn J, Baum J, Berman HM Urethane bonds, derived from the hydroxyl group of the tyrosine side chain, have been investigated as a new type of amide bond mimetic in the design of pseudopeptides. The structure of a representative cyclic...	nmrlearner	Journal club	0	08-22-2010 03:33 AM
[NMR paper] Crystal structure and NMR conformation of a cyclic pseudotetrapeptide containing uret Crystal structure and NMR conformation of a cyclic pseudotetrapeptide containing urethane backbone linkages. Related Articles Crystal structure and NMR conformation of a cyclic pseudotetrapeptide containing urethane backbone linkages. Biopolymers. 1994 Mar;34(3):403-14 Authors: Parkinson GN, Wu Y, Fan P, Kohn J, Baum J, Berman HM Urethane bonds, derived from the hydroxyl group of the tyrosine side chain, have been investigated as a new type of amide bond mimetic in the design of pseudopeptides. The structure of a representative cyclic...	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