Abstract:
:We have developed an approach for simultaneous structure calculation and automatic Nuclear Overhauser Effect (NOE) assignment to solve nuclear magnetic resonance (NMR) structures from unassigned NOESY data. The approach, autoNOE-Rosetta, integrates Resolution Adapted Structural RECombination (RASREC) Rosetta NMR calculations with algorithms for automatic NOE assignment. The method was applied to two proteins in the 15-20 kDa size range for which both, NMR and X-ray data, is available. The autoNOE-Rosetta calculations converge for both proteins and yield accurate structures with an RMSD of 1.9 Å to the X-ray reference structures. The method greatly expands the radius of convergence for automatic NOE assignment, and should be broadly useful for NMR structure determination.
journal_name
J Biomol NMRjournal_title
Journal of biomolecular NMRauthors
Lange OFdoi
10.1007/s10858-014-9833-3subject
Has Abstractpub_date
2014-07-01 00:00:00pages
147-59issue
3eissn
0925-2738issn
1573-5001journal_volume
59pub_type
杂志文章abstract::Paramagnetic relaxation enhancement (PRE) measurements constitute a powerful approach for detecting both permanent and transient protein-protein interactions. Typical PRE experiments require an intrinsic or engineered paramagnetic site on one of the two interacting partners; while a second, diamagnetic binding partner...
journal_title:Journal of biomolecular NMR
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journal_title:Journal of biomolecular NMR
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
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journal_title:Journal of biomolecular NMR
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
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更新日期:2000-04-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1023/a:1018615400129
更新日期:1997-01-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1007/s10858-007-9205-3
更新日期:2008-01-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1023/a:1008348827208
更新日期:2000-07-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1007/s10858-019-00285-x
更新日期:2019-12-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1007/BF00179343
更新日期:1994-05-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1007/s10858-006-9078-x
更新日期:2006-11-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1007/s10858-012-9674-x
更新日期:2012-11-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1023/a:1008399304450
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1023/a:1021662423490
更新日期:2002-11-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1007/BF00208807
更新日期:1995-02-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1007/s10858-015-9984-x
更新日期:2015-11-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
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journal_title:Journal of biomolecular NMR
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章,评审
doi:10.1007/BF00211749
更新日期:1995-04-01 00:00:00
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journal_title:Journal of biomolecular NMR
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更新日期:2006-12-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
doi:10.1007/s10858-005-2826-5
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
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更新日期:2008-09-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
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更新日期:2010-01-01 00:00:00
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pub_type: 杂志文章
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更新日期:2006-09-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
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更新日期:2019-07-01 00:00:00
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journal_title:Journal of biomolecular NMR
pub_type: 杂志文章
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更新日期:2007-10-01 00:00:00