MolStrucDyn SIGNED
Ultrafast Molecular Structural Dynamics
Total Cost €
0EC-Contrib. €
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Project "MolStrucDyn" data sheet
The following table provides information about the project.
| Coordinator |
GOETEBORGS UNIVERSITET
Organization address contact info |
| 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.
| # | ||||
|---|---|---|---|---|
| 1 | GOETEBORGS UNIVERSITET | SE (GOETEBORG) | coordinator | 2˙000˙000.00 |
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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 |
|---|---|---|---|
| 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 PaleÄek, 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 PaleÄek, 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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