Literature DB >> 28799219

MMM: A toolbox for integrative structure modeling.

Gunnar Jeschke1.   

Abstract

Structural characterization of proteins and their complexes may require integration of restraints from various experimental techniques. MMM (Multiscale Modeling of Macromolecules) is a Matlab-based open-source modeling toolbox for this purpose with a particular emphasis on distance distribution restraints obtained from electron paramagnetic resonance experiments on spin-labelled proteins and nucleic acids and their combination with atomistic structures of domains or whole protomers, small-angle scattering data, secondary structure information, homology information, and elastic network models. MMM does not only integrate various types of restraints, but also various existing modeling tools by providing a common graphical user interface to them. The types of restraints that can support such modeling and the available model types are illustrated by recent application examples.
© 2017 The Protein Society.

Keywords:  distance distributions; docking; ensemble modeling; membrane proteins; protein complexes; restraint-augmented homology modeling; site-directed spin labeling

Mesh:

Substances:

Year:  2017        PMID: 28799219      PMCID: PMC5734387          DOI: 10.1002/pro.3269

Source DB:  PubMed          Journal:  Protein Sci        ISSN: 0961-8368            Impact factor:   6.725


  49 in total

1.  Comparative protein structure modeling by iterative alignment, model building and model assessment.

Authors:  Bino John; Andrej Sali
Journal:  Nucleic Acids Res       Date:  2003-07-15       Impact factor: 16.971

2.  Homology model of the Na+/proline transporter PutP of Escherichia coli and its functional implications.

Authors:  Elena Olkhova; Michael Raba; Susanne Bracher; Daniel Hilger; Heinrich Jung
Journal:  J Mol Biol       Date:  2010-12-03       Impact factor: 5.469

3.  Glu-311 in External Loop 4 of the Sodium/Proline Transporter PutP Is Crucial for External Gate Closure.

Authors:  Susanne Bracher; Kamila Guérin; Yevhen Polyhach; Gunnar Jeschke; Sophie Dittmer; Sabine Frey; Maret Böhm; Heinrich Jung
Journal:  J Biol Chem       Date:  2016-01-04       Impact factor: 5.157

4.  Extracellular loop 4 of the proline transporter PutP controls the periplasmic entrance to ligand binding sites.

Authors:  Michael Raba; Sabrina Dunkel; Daniel Hilger; Kamila Lipiszko; Yevhen Polyhach; Gunnar Jeschke; Susanne Bracher; Johann P Klare; Matthias Quick; Heinrich Jung; Heinz-Jürgen Steinhoff
Journal:  Structure       Date:  2014-04-24       Impact factor: 5.006

5.  Combining NMR and EPR to Determine Structures of Large RNAs and Protein-RNA Complexes in Solution.

Authors:  Olivier Duss; Maxim Yulikov; Frédéric H T Allain; Gunnar Jeschke
Journal:  Methods Enzymol       Date:  2015-03-26       Impact factor: 1.600

6.  Locating a lipid at the portal to the lipoxygenase active site.

Authors:  Betty J Gaffney; Miles D Bradshaw; Stephen D Frausto; Fayi Wu; Jack H Freed; Peter Borbat
Journal:  Biophys J       Date:  2012-11-20       Impact factor: 4.033

Review 7.  Long-range distance determinations in biomacromolecules by EPR spectroscopy.

Authors:  Olav Schiemann; Thomas F Prisner
Journal:  Q Rev Biophys       Date:  2007-06-13       Impact factor: 5.318

8.  Selective High-Resolution Detection of Membrane Protein-Ligand Interaction in Native Membranes Using Trityl-Nitroxide PELDOR.

Authors:  Benesh Joseph; Victor M Tormyshev; Olga Yu Rogozhnikova; Dmitry Akhmetzyanov; Elena G Bagryanskaya; Thomas F Prisner
Journal:  Angew Chem Int Ed Engl       Date:  2016-08-11       Impact factor: 15.336

9.  Simulating the distance distribution between spin-labels attached to proteins.

Authors:  Shahidul M Islam; Benoît Roux
Journal:  J Phys Chem B       Date:  2015-02-18       Impact factor: 2.991

10.  mtsslSuite: In silico spin labelling, trilateration and distance-constrained rigid body docking in PyMOL.

Authors:  Gregor Hagelueken; Dinar Abdullin; Richard Ward; Olav Schiemann
Journal:  Mol Phys       Date:  2013-07-01       Impact factor: 1.962

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  38 in total

Review 1.  Constructing a structural model of troponin using site-directed spin labeling: EPR and PRE-NMR.

Authors:  Ehsan Kachooei; Nicole M Cordina; Louise J Brown
Journal:  Biophys Rev       Date:  2019-07-18

2.  Refinement of Highly Flexible Protein Structures using Simulation-Guided Spectroscopy.

Authors:  Jennifer M Hays; Marissa K Kieber; Jason Z Li; Ji In Han; Linda Columbus; Peter M Kasson
Journal:  Angew Chem Int Ed Engl       Date:  2018-11-27       Impact factor: 15.336

3.  Conformational Dynamics of the Extracellular Loop of BtuB in Whole Cells.

Authors:  Indra D Sahu
Journal:  Biophys J       Date:  2020-09-25       Impact factor: 4.033

4.  Conformational tuning of a DNA-bound transcription factor.

Authors:  Giuseppe Sicoli; Hervé Vezin; Karin Ledolter; Thomas Kress; Dennis Kurzbach
Journal:  Nucleic Acids Res       Date:  2019-06-04       Impact factor: 16.971

5.  Tm filtering by 1H-methyl labeling in a deuterated protein for pulsed double electron-electron resonance EPR.

Authors:  Thomas Schmidt; G Marius Clore
Journal:  Chem Commun (Camb)       Date:  2020-09-17       Impact factor: 6.222

6.  Native Cell Environment Constrains Loop Structure in the Escherichia coli Cobalamin Transporter BtuB.

Authors:  David A Nyenhuis; Thushani D Nilaweera; David S Cafiso
Journal:  Biophys J       Date:  2020-09-06       Impact factor: 4.033

7.  Comparative evaluation of spin-label modeling methods for protein structural studies.

Authors:  Maxx H Tessmer; Elizabeth R Canarie; Stefan Stoll
Journal:  Biophys J       Date:  2022-08-10       Impact factor: 3.699

8.  Supramolecular Approach to Electron Paramagnetic Resonance Distance Measurement of Spin-Labeled Proteins.

Authors:  Zhimin Yang; Richard A Stein; Thacien Ngendahimana; Maren Pink; Suchada Rajca; Gunnar Jeschke; Sandra S Eaton; Gareth R Eaton; Hassane S Mchaourab; Andrzej Rajca
Journal:  J Phys Chem B       Date:  2020-04-13       Impact factor: 2.991

9.  Spin-labeled nanobodies as protein conformational reporters for electron paramagnetic resonance in cellular membranes.

Authors:  Laura Galazzo; Gianmarco Meier; M Hadi Timachi; Cedric A J Hutter; Markus A Seeger; Enrica Bordignon
Journal:  Proc Natl Acad Sci U S A       Date:  2020-01-21       Impact factor: 11.205

10.  Optimal Tikhonov regularization for DEER spectroscopy.

Authors:  Thomas H Edwards; Stefan Stoll
Journal:  J Magn Reson       Date:  2018-02-01       Impact factor: 2.229

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