Literature DB >> 31605409

Molstack: A platform for interactive presentations of electron density and cryo-EM maps and their interpretations.

Przemyslaw J Porebski1, Grzegorz Bokota1,2, Barat S Venkataramany1, Wladek Minor1.   

Abstract

In the Special Issue on Tools for Protein Science in 2018, we presented Molstack: a concept of a cloud-based platform for sharing electron density maps and their interpretations. Molstack is a web platform that allows the interactive visualization of density maps through the simultaneous presentation of multiple datasets and models in a way that allows for easy pairwise comparison. We anticipated that the users of this conceptually simple platform would find many different uses for their projects, and we were not mistaken. We have observed researchers use Molstack to present experimental evidence for their models in the form of electron density maps, omit maps, and anomalous difference density maps. Users also employed Molstack to present alternative interpretations of densities, including rerefinements and speculative interpretations. While we anticipated these types of projects to be the main use cases, we were pleased to see Molstack used to display superpositions of different models, as a tool for story-driven presentations, and for collaboration as well. Here, we present developments in the platform that were driven by user feedback, highlight several cases that used Molstack to enhance the publication, and discuss possible directions for the platform.
© 2019 The Protein Society.

Keywords:  cryo-EM; crystallography; data interpretation; validation; visualization

Mesh:

Substances:

Year:  2019        PMID: 31605409      PMCID: PMC6933852          DOI: 10.1002/pro.3747

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


  32 in total

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2.  Automatic recognition of ligands in electron density by machine learning.

Authors:  Marcin Kowiel; Dariusz Brzezinski; Przemyslaw J Porebski; Ivan G Shabalin; Mariusz Jaskolski; Wladek Minor
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3.  Characterizing metal-binding sites in proteins with X-ray crystallography.

Authors:  Katarzyna B Handing; Ewa Niedzialkowska; Ivan G Shabalin; Misty L Kuhn; Heping Zheng; Wladek Minor
Journal:  Nat Protoc       Date:  2018-04-19       Impact factor: 13.491

4.  Features and development of Coot.

Authors:  P Emsley; B Lohkamp; W G Scott; K Cowtan
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2010-03-24

Review 5.  How Structural Biologists and the Protein Data Bank Contributed to Recent FDA New Drug Approvals.

Authors:  John D Westbrook; Stephen K Burley
Journal:  Structure       Date:  2018-12-27       Impact factor: 5.006

Review 6.  Safeguarding Structural Data Repositories against Bad Apples.

Authors:  Wladek Minor; Zbigniew Dauter; John R Helliwell; Mariusz Jaskolski; Alexander Wlodawer
Journal:  Structure       Date:  2016-02-02       Impact factor: 5.006

7.  Overview of the CCP4 suite and current developments.

Authors:  Martyn D Winn; Charles C Ballard; Kevin D Cowtan; Eleanor J Dodson; Paul Emsley; Phil R Evans; Ronan M Keegan; Eugene B Krissinel; Andrew G W Leslie; Airlie McCoy; Stuart J McNicholas; Garib N Murshudov; Navraj S Pannu; Elizabeth A Potterton; Harold R Powell; Randy J Read; Alexei Vagin; Keith S Wilson
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2011-03-18

8.  NGL Viewer: a web application for molecular visualization.

Authors:  Alexander S Rose; Peter W Hildebrand
Journal:  Nucleic Acids Res       Date:  2015-04-29       Impact factor: 16.971

9.  Classification, substrate specificity and structural features of D-2-hydroxyacid dehydrogenases: 2HADH knowledgebase.

Authors:  Dorota Matelska; Ivan G Shabalin; Jagoda Jabłońska; Marcin J Domagalski; Jan Kutner; Krzysztof Ginalski; Wladek Minor
Journal:  BMC Evol Biol       Date:  2018-12-22       Impact factor: 3.260

10.  Testosterone meets albumin - the molecular mechanism of sex hormone transport by serum albumins.

Authors:  Mateusz P Czub; Barat S Venkataramany; Karolina A Majorek; Katarzyna B Handing; Przemyslaw J Porebski; Sandya R Beeram; Kyungah Suh; Ashley G Woolfork; David S Hage; Ivan G Shabalin; Wladek Minor
Journal:  Chem Sci       Date:  2018-12-17       Impact factor: 9.825

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  6 in total

1.  Molstack: A platform for interactive presentations of electron density and cryo-EM maps and their interpretations.

Authors:  Przemyslaw J Porebski; Grzegorz Bokota; Barat S Venkataramany; Wladek Minor
Journal:  Protein Sci       Date:  2019-10-25       Impact factor: 6.725

2.  Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.

Authors:  Mateusz P Czub; Katarzyna B Handing; Barat S Venkataramany; David R Cooper; Ivan G Shabalin; Wladek Minor
Journal:  J Med Chem       Date:  2020-06-17       Impact factor: 7.446

3.  Recognizing and validating ligands with CheckMyBlob.

Authors:  Dariusz Brzezinski; Przemyslaw J Porebski; Marcin Kowiel; Joanna M Macnar; Wladek Minor
Journal:  Nucleic Acids Res       Date:  2021-07-02       Impact factor: 16.971

4.  Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy.

Authors:  Ivan G Shabalin; Mateusz P Czub; Karolina A Majorek; Dariusz Brzezinski; Marek Grabowski; David R Cooper; Mateusz Panasiuk; Maksymilian Chruszcz; Wladek Minor
Journal:  bioRxiv       Date:  2020-07-23

5.  Ligand-centered assessment of SARS-CoV-2 drug target models in the Protein Data Bank.

Authors:  Alexander Wlodawer; Zbigniew Dauter; Ivan G Shabalin; Miroslaw Gilski; Dariusz Brzezinski; Marcin Kowiel; Wladek Minor; Bernhard Rupp; Mariusz Jaskolski
Journal:  FEBS J       Date:  2020-06-24       Impact factor: 5.622

6.  Covid-19.bioreproducibility.org: A web resource for SARS-CoV-2-related structural models.

Authors:  Dariusz Brzezinski; Marcin Kowiel; David R Cooper; Marcin Cymborowski; Marek Grabowski; Alexander Wlodawer; Zbigniew Dauter; Ivan G Shabalin; Miroslaw Gilski; Bernhard Rupp; Mariusz Jaskolski; Wladek Minor
Journal:  Protein Sci       Date:  2020-10-08       Impact factor: 6.993

  6 in total

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