A novel approach for assessing macromolecular complexes combining soft-docking calculations with NMR data. (Q30661015)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11567104%20AND%20SRC:MED&resulttype=core&format=json

11 November 2019

title

A novel approach for assessing macromolecular complexes combining soft-docking calculations with NMR data (English)

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11 November 2019

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11 November 2019

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11 November 2019

F Guerlesquin

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11 November 2019

A C Rigby

series ordinal

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11 November 2019

publication date

1 October 2001

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11 November 2019

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11 November 2019

volume

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11 November 2019

issue

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11 November 2019

page(s)

2131-2137

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Accurate and rapid docking of protein-protein complexes on the basis of intermolecular nuclear overhauser enhancement data and dipolar couplings by rigid body minimization

11 November 2019

cites work

1 reference

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Interaction of cardiac troponin C with Ca(2+) sensitizer EMD 57033 and cardiac troponin I inhibitory peptide

20 June 2018

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Structural model of the Fe-hydrogenase/cytochrome c553 complex combining transverse relaxation-optimized spectroscopy experiments and soft docking calculations

20 June 2018

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Structural basis of presequence recognition by the mitochondrial protein import receptor Tom20

20 June 2018

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Heteronuclear NMR and soft docking: an experimental approach for a structural model of the cytochrome c553-ferredoxin complex

20 June 2018

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Solution structure of Apaf-1 CARD and its interaction with caspase-9 CARD: a structural basis for specific adaptor/caspase interaction

20 June 2018

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Solution structure of the 40,000 Mr phosphoryl transfer complex between the N-terminal domain of enzyme I and HPr

20 June 2018

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The atomic structure of protein-protein recognition sites

20 June 2018

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TROSY in triple-resonance experiments: new perspectives for sequential NMR assignment of large proteins

20 June 2018

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Structure and interaction site of the regulatory domain of troponin-C when complexed with the 96-148 region of troponin-I

20 June 2018

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The use of 2H, 13C, 15N multidimensional NMR to study the structure and dynamics of proteins

20 June 2018

1 reference

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Discrepancies between the NMR and X-ray structures of uncomplexed barstar: analysis suggests that packing densities of protein structures determined by NMR are unreliable

20 June 2018

1 reference

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Determining the structures of large proteins and protein complexes by NMR.

20 June 2018

1 reference

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Attenuated T2 relaxation by mutual cancellation of dipole-dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Analysis of protein-protein interaction sites using surface patches

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

The first step in sugar transport: crystal structure of the amino terminal domain of enzyme I of the E. coli PEP: sugar phosphotransferase system and a model of the phosphotransfer complex with HPr

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Identification of the barstar binding site of barnase by NMR spectroscopy and hydrogen-deuterium exchange

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

The 2.0-A resolution structure of Escherichia coli histidine-containing phosphocarrier protein HPr. A redetermination

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Shape complementarity at protein-protein interfaces

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Protein-protein recognition: crystal structural analysis of a barnase-barstar complex at 2.0-A resolution

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

A new computational model for protein folding based on atomic solvation

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

A continuum model for protein-protein interactions: application to the docking problem.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

A geometric approach to macromolecule-ligand interactions

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Molecular structure of a new family of ribonucleases

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Reaction pathway for the quaternary structure change in hemoglobin

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

High-resolution refinement of yeast iso-1-cytochrome c and comparisons with other eukaryotic cytochromes c

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

"Soft docking": matching of molecular surface cubes

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Protein-protein recognition analyzed by docking simulation.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Docking by least-squares fitting of molecular surface patterns

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniques

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Crystal structure of a complex between electron transfer partners, cytochrome c peroxidase and cytochrome c

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

Shape analysis of molecular surfaces

20 June 2018

1 reference

Identification by NMR of the binding surface for the histidine-containing phosphocarrier protein HPr on the N-terminal domain of enzyme I of the Escherichia coli phosphotransferase system.

21 January 2018

1 reference

Sequence-specific NMR assignment of proteins by global fragment mapping with the program MAPPER.

21 January 2018

1 reference

Prediction of protein-protein interaction sites using patch analysis

21 January 2018

1 reference

Protein docking for low-resolution structures.

21 January 2018

1 reference

BiGGER: a new (soft) docking algorithm for predicting protein interactions.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2374225

A novel NMR method for determining the interfaces of large protein-protein complexes

25 November 2018

1 reference

12 December 2020

Structural dynamics in an electron–transfer complex

1 reference

12 December 2020

Chemical shift as a probe of molecular interfaces: NMR studies of DNA binding by the three amino-terminal zinc finger domains from transcription factor IIIA

1 reference

12 December 2020

New general approach for determining the solution structure of a ligand bound weakly to a receptor: structure of a fibrinogen Aalpha-like peptide bound to thrombin (S195A) obtained using NOE distance constraints and an ECEPP/3 flexible docking progr

1 reference

12 December 2020

Pilus chaperone FimC-adhesin FimH interactions mapped by TROSY-NMR

1 reference

12 December 2020

Residual dipolar coupling derived orientational constraints on ligand geometry in a 53 kDa protein-ligand complex

1 reference

12 December 2020

Identifiers

DOI

10.1110/PS.07501

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11567104%20AND%20SRC:MED&resulttype=core&format=json

11 November 2019

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11567104%20AND%20SRC:MED&resulttype=core&format=json

11 November 2019

PubMed publication ID

11567104

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11567104%20AND%20SRC:MED&resulttype=core&format=json