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MolStrucDyn SIGNED

Ultrafast Molecular Structural Dynamics

Total Cost €

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EC-Contrib. €

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Partnership

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 MolStrucDyn project word cloud

Explore the words cloud of the MolStrucDyn project. It provides you a very rough idea of what is the project "MolStrucDyn" about.

bond    diffraction    earth    xfels    compounds    time    containing    maps    guides    combined    resolve    21    trajectories    ranging    conformational    chemical    free    pioneer    effect    takala    physical    strengths    solvent    microcrystallography    molecular    correlation    2006    likewise    experiments    breaking    photoconversion    outcome    phytochrome    elementary    chromophore    interdisciplinary    proteins    2016    structures    fluctuation    2014    ray    photosensory    resolution    horizons    electron    builds    solute    dynamics    density    biology    et    plants    full    surrounding    intermediates    chemistry    substrate    phytochromes    react    protein    resolved    recover    structural    nature    environments    plan    microscopic    westenhoff    leads    ubiquitous    fill    iodine    2010    vegetation    photoresponse    al    solution    papers    bio    prl    jacs    visualize    gap    2012    atomic    poorly    spectroscopy    scattering    decipher    unknown    yield    reactants    reactions    reaction    xfel    collectively    photoexcitation    influenced    serial    lasers    filming    femtosecond   

Project "MolStrucDyn" data sheet

The following table provides information about the project.

Coordinator
GOETEBORGS UNIVERSITET 

Organization address
address: VASAPARKEN
city: GOETEBORG
postcode: 405 30
website: www.gu.se

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Sweden [SE]
 Total cost 2˙000˙000 €
 EC max contribution 2˙000˙000 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2016-COG
 Funding Scheme ERC-COG
 Starting year 2017
 Duration (year-month-day) from 2017-06-01   to  2022-05-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    GOETEBORGS UNIVERSITET SE (GOETEBORG) coordinator 2˙000˙000.00

Map

 Project objective

Chemical reactions in solution are strongly influenced by femtosecond solvent-solute dynamics. Likewise, proteins provide specific environments to control the outcome of substrate reactions. The molecular understanding of these effect are currently poorly developed.

I propose to fill this knowledge gap by ‘filming’ elementary chemical reactions in solution and in proteins. I will pioneer new time-resolved scattering and diffraction experiments using X-ray Free Electron Lasers (XFELs).

Using femtosecond time-resolved X-ray scattering, I plan to decipher the structural dynamics of bond breaking and bond formation in iodine containing compounds in solution. I will pioneer time-resolved fluctuation correlation X-ray scattering to recover full electron density maps of the reaction trajectories at an atomic resolution. I will visualize the as yet unknown structures of reaction intermediates and the solvent response.

Furthermore, I propose to investigate the molecular photoresponse of phytochrome photoconversion with femtosecond time-resolved serial microcrystallography. Phytochromes are ubiquitous photosensory proteins in plants and are essential to all vegetation on earth. I will resolve how the chromophore and the protein react collectively to photoexcitation and how this leads to conformational changes.

Combined, this interdisciplinary project will yield microscopic understanding on how the surrounding of reactants guides the outcome of elementary (bio)chemical reactions.

This program builds on my strengths in structural biology of phytochromes (Takala et al., Nature, 2014), time-resolved X-ray scattering (Westenhoff et al., Nature Methods 2010), and femtosecond spectroscopy (21 papers in PRL, JACS, Nature Methods 2006-2012 & 2016).

The new XFEL-based methods will have wide-ranging applications in chemistry and biology. My work will open new horizons in physical chemistry and structural biology.

 Publications

year authors and title journal last update
List of publications.
2017 M Hoernke, J Mohan, Elin Larsson, Dana Kahra, S Westenhoff, Richard Lundmark, C Schwieger
Determining membrane bound protein structures by infrared reflection-absorption spectroscopy
published pages: S161-S161, ISSN: 0175-7571, DOI:
European Biophysics Journal 46 (Suppl 1) 2020-02-05
2017 Maria Hoernke, Jagan Mohan, Elin Larsson, Jeanette Blomberg, Dana Kahra, Sebastian Westenhoff, Christian Schwieger, Richard Lundmark
EHD2 restrains dynamics of caveolae by an ATP-dependent, membrane-bound, open conformation
published pages: E4360-E4369, ISSN: 0027-8424, DOI: 10.1073/pnas.1614066114
Proceedings of the National Academy of Sciences 114/22 2020-02-05
2019 Juan C. Sanchez, Melissa Carrillo, Suraj Pandey, Moraima Noda, Luis Aldama, Denisse Feliz, Elin Claesson, Weixiao Yuan Wahlgren, Gregory Tracy, Phu Duong, Angela C. Nugent, Andrew Field, Vukica Šrajer, Christopher Kupitz, So Iwata, Eriko Nango, Rie Tanaka, Tomoyuki Tanaka, Luo Fangjia, Kensuke Tono, Shigeki Owada, Sebastian Westenhoff, Marius Schmidt, Emina A. Stojković
High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures
published pages: 54701, ISSN: 2329-7778, DOI: 10.1063/1.5120527
Structural Dynamics 6/5 2020-02-05
2018 Nicole C. Woitowich, Andrei S. Halavaty, Patricia Waltz, Christopher Kupitz, Joseph Valera, Gregory Tracy, Kevin D. Gallagher, Elin Claesson, Takanori Nakane, Suraj Pandey, Garrett Nelson, Rie Tanaka, Eriko Nango, Eiichi Mizohata, Shigeki Owada, Kensure Tono, Yasumasa Joti, Angela C. Nugent, Hardik Patel, Ayesha Mapara, James Hopkins, Phu Duong, Dorina Bizhga, Svetlana E. Kovaleva, Rachael St. Pet
Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome
published pages: 619-634, ISSN: 2052-2525, DOI: 10.1107/s2052252518010631
IUCrJ 5/5 2020-02-05
2020 Emil Gustavsson, Linnéa Isaksson, Cecilia Persson, Maxim Mayzel, Ulrika Brath, Lidija Vrhovac, Janne A. Ihalainen, B. Göran Karlsson, Vladislav Orekhov, Sebastian Westenhoff
Modulation of Structural Heterogeneity Controls Phytochrome Photoswitching
published pages: 415-421, ISSN: 0006-3495, DOI: 10.1016/j.bpj.2019.11.025
Biophysical Journal 118/2 2020-02-05
2017 David Paleček, Petra Edlund, Sebastian Westenhoff, Donatas Zigmantas
Quantum coherence as a witness of vibronically hot energy transfer in bacterial reaction center
published pages: e1603141, ISSN: 2375-2548, DOI: 10.1126/sciadv.1603141
Science Advances 3/9 2020-02-05
2017 Oskar Berntsson, Ralph P Diensthuber, Matthijs R Panman, Alexander Björling, Ashley J Hughes, Léocadie Henry, Stephan Niebling, Gemma Newby, Marianne Liebi, Andreas Menzel, Robert Henning, Irina Kosheleva, Andreas Möglich, Sebastian Westenhoff
Time-Resolved X-Ray Solution Scattering Reveals the Structural Photoactivation of a Light-Oxygen-Voltage Photoreceptor
published pages: 933-938, ISSN: 0969-2126, DOI: 10.1016/j.str.2017.04.006
Structure 25 / 6 2020-02-05
2019 Joachim Kübel, Giseong Lee, Saik Ann Ooi, Sebastian Westenhoff, Hogyu Han, Minhaeng Cho, Michał Maj
Ultrafast Chemical Exchange Dynamics of Hydrogen Bonds Observed via Isonitrile Infrared Sensors: Implications for Biomolecular Studies
published pages: 7878-7883, ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.9b03144
The Journal of Physical Chemistry Letters 10/24 2020-02-05
2019 David Paleček, Petra Edlund, Emil Gustavsson, Sebastian Westenhoff, Donatas Zigmantas
Potential pitfalls of the early-time dynamics in two-dimensional electronic spectroscopy
published pages: 24201, ISSN: 0021-9606, DOI: 10.1063/1.5079817
The Journal of Chemical Physics 151/2 2020-02-05
2019 Oskar Berntsson, Ryan Rodriguez, Léocadie Henry, Matthijs R. Panman, Ashley J. Hughes, Christopher Einholz, Stefan Weber, Janne A. Ihalainen, Robert Henning, Irina Kosheleva, Erik Schleicher, Sebastian Westenhoff
Photoactivation of Drosophila melanogaster cryptochrome through sequential conformational transitions
published pages: eaaw1531, ISSN: 2375-2548, DOI: 10.1126/sciadv.aaw1531
Science Advances 5/7 2020-02-05
2019 Elin Claesson, Weixiao Yuan Wahlgren, Heikki Takala, Suraj Pandey, Leticia Castillon, Valentyna Kuznetsova, Léocadie Henry, Melissa Carrillo, Matthijs Panman, Joachim Kubel, Rahul Nanekar, Linnéa Isaksson, Amke Nimmrich, Andrea Cellini, Dmitry Morozov, Michal Maj, Moona Kurttila, Robert Bosman, Eriko Nango, Rie Tanaka, Tomoyuki Tanaka, Luo Fangjia, So Iwata, Shigeki Owada, Keith Moffat, Gerrit G
The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser
published pages: , ISSN: , DOI: 10.1101/789305
2020-02-05
2018 Nils Lenngren, Petra Edlund, Heikki Takala, Brigitte Stucki-Buchli, Jessica Rumfeldt, Ivan Peshev, Heikki Häkkänen, Sebastian Westenhoff, Janne A. Ihalainen
Coordination of the biliverdin D-ring in bacteriophytochromes
published pages: 18216-18225, ISSN: 1463-9076, DOI: 10.1039/c8cp01696h
Physical Chemistry Chemical Physics 20/27 2020-02-05
2018 Stephan Niebling, Alexander Björling, Sebastian Westenhoff
MARTINI bead form factors for the analysis of time-resolved X-ray scattering of proteins. Erratum
published pages: 968-968, ISSN: 1600-5767, DOI: 10.1107/s1600576718007331
Journal of Applied Crystallography 51/3 2020-02-05
2017 Hanna Andersson, Emma Danelius, Patrik Jarvoll, Stephan Niebling, Ashley J. Hughes, Sebastian Westenhoff, Ulrika Brath, Máté Erdélyi
Assessing the Ability of Spectroscopic Methods to Determine the Difference in the Folding Propensities of Highly Similar β-Hairpins
published pages: 508-516, ISSN: 2470-1343, DOI: 10.1021/acsomega.6b00484
ACS Omega 2/2 2020-02-05
2018 Heikki Takala, Heli K. Lehtivuori, Oskar Berntsson, Ashley Hughes, Rahul Nanekar, Stephan Niebling, Matthijs Panman, Léocadie Henry, Andreas Menzel, Sebastian Westenhoff, Janne A. Ihalainen
On the (un)coupling of the chromophore, tongue interactions, and overall conformation in a bacterial phytochrome
published pages: 8161-8172, ISSN: 0021-9258, DOI: 10.1074/jbc.ra118.001794
Journal of Biological Chemistry 293/21 2020-02-05
2018 Janne A. Ihalainen, Emil Gustavsson, Lea Schroeder, Serena Donnini, Heli Lehtivuori, Linnéa Isaksson, Christian Thöing, Vaibhav Modi, Oskar Berntsson, Brigitte Stucki-Buchli, Alli Liukkonen, Heikki Häkkänen, Elina Kalenius, Sebastian Westenhoff, Tilman Kottke
Chromophore–Protein Interplay during the Phytochrome Photocycle Revealed by Step-Scan FTIR Spectroscopy
published pages: 12396-12404, ISSN: 0002-7863, DOI: 10.1021/jacs.8b04659
Journal of the American Chemical Society 140/39 2020-02-05
2019 Amit Sharma, Peter Berntsen, Rajiv Harimoorthy, Roberto Appio, Jennie Sjöhamn, Michael Järvå, Alexander Björling, Greger Hammarin, Sebastian Westenhoff, Gisela Brändén, Richard Neutze
A simple adaptation to a protein crystallography station to facilitate difference X-ray scattering studies
published pages: 378-386, ISSN: 1600-5767, DOI: 10.1107/s1600576719001900
Journal of Applied Crystallography 52/2 2020-02-05

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