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Literature DB >> 17121777

ARIA2: automated NOE assignment and data integration in NMR structure calculation.

Wolfgang Rieping¹, Michael Habeck, Benjamin Bardiaux, Aymeric Bernard, Thérèse E Malliavin, Michael Nilges.

Abstract

UNLABELLED: Modern structural genomics projects demand for integrated methods for the interpretation and storage of nuclear magnetic resonance (NMR) data. Here we present version 2.1 of our program ARIA (Ambiguous Restraints for Iterative Assignment) for automated assignment of nuclear Overhauser enhancement (NOE) data and NMR structure calculation. We report on recent developments, most notably a graphical user interface, and the incorporation of the object-oriented data model of the Collaborative Computing Project for NMR (CCPN). The CCPN data model defines a storage model for NMR data, which greatly facilitates the transfer of data between different NMR software packages. AVAILABILITY: A distribution with the source code of ARIA 2.1 is freely available at http://www.pasteur.fr/recherche/unites/Binfs/aria2.

Mesh：

Substances：
Biopolymers

Year: 2006 PMID： 17121777 DOI： 10.1093/bioinformatics/btl589

Source DB: PubMed Journal: Bioinformatics ISSN： 1367-4803 Impact factor: 6.937

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Cited

225 in total

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ARIA2: automated NOE assignment and data integration in NMR structure calculation.

1. Ras signaling requires dynamic properties of Ets1 for phosphorylation-enhanced binding to coactivator CBP.

2. The IL1alpha-S100A13 heterotetrameric complex structure: a component in the non-classical pathway for interleukin 1alpha secretion.

3. Get5 carboxyl-terminal domain is a novel dimerization motif that tethers an extended Get4/Get5 complex.

4. Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples.

5. Structures of the reduced and oxidized state of the mutant D24A of yeast thioredoxin 1: insights into the mechanism for the closing of the water cavity.

6. The expanded FindCore method for identification of a core atom set for assessment of protein structure prediction.

7. Structure and Assembly of the Enterohemorrhagic Escherichia coli Type 4 Pilus.

8. Eigenvector synchronization, graph rigidity and the molecule problem.

9. Zinc-binding structure of a catalytic amyloid from solid-state NMR.

10. Basis of Mutual Domain Inhibition in a Bacterial Response Regulator.