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Exploring Serum Transferrin Regulation of Nonferric Metal Therapeutic Function and Toxicity
30 Aug 2020 | BioXFEL Publications | Contributor(s): Josué A. Benjamín-Rivera, Andrés E. Cardona-Rivera, Ángel L. Vázquez-Maldonado, Christian Y. Dones-Lassalle, Héctor L. Pabón-Colon, Héctor M. Rodríguez-Rivera, Israel Rodriguez, Jean C. González-Espiet, Jessika Pazol, Jobaniel D. Pérez-Ríos, José F. Catala-Torres, Marielie Carrasquillo Rivera, Michael G. De Jesus-Soto, Nicolle A. Cordero-Virella, Paola M. Cruz-Maldonado, Patricia González-Pagan, Raul Hernández-Ríos, Kavita Gaur, Sergio A. Loza-Rosas, Arthur Tinoco
http://dx.doi.org/10.3390/inorganics8090048 Serum transferrin (sTf) plays a pivotal role in regulating iron biodistribution and homeostasis within the body. The molecular details of sTf Fe(III) binding blood transport, and cellular delivery through transferrin receptor-mediated endocytosis are …
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Exploring Titanium(IV) Complexes as Potential Antimicrobial Compounds
26 Jan 2022 | BioXFEL Publications | Contributor(s): Israel Rodriguez, Lauren Fernández-Vega, Andrea N. Maser-Figueroa, Branlee Sang, Patricia González-Pagán, Arthur Tinoco
http://dx.doi.org/10.3390/antibiotics11020158 Due to the rapid mutation of pathogenic microorganisms, drug-resistant superbugs have evolved. Antimicrobial-resistant germs may share their resistance genes with other germs, making them untreatable. The search for more combative antibiotic compounds …
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Exposing hidden alternative backbone conformations in X-ray crystallography using qFit
05 May 2015 | BioXFEL Publications | Contributor(s): Daniel A Keedy, James Fraser, Henry Van Den Bedem
Proteins must move between different conformations of their native ensemble to perform their functions. Crystal structures obtained from high-resolution X-ray diffraction data reflect this heterogeneity as a spatial and temporal conformational average. Although movement between natively populated …
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Exposing Hidden Alternative Backbone Conformations in X-ray Crystallography Using qFit
27 Oct 2015 | BioXFEL Publications | Contributor(s): Daniel A. Keedy, James Fraser, Henry Van Den Bedem
http://dx.doi.org/10.1371/journal.pcbi.1004507 Daniel A. Keedy and James S. Fraser and Henry van den Bedem Keedy, D.A., Fraser, J.S. & van den Bedem, H., 2015. Exposing Hidden Alternative Backbone Conformations in X-ray Crystallography Using qFit A. Shehu, ed. PLoS Comput Biol, 11(10), p.e1004507. …
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Expression and Association of the Yersinia pestis Translocon Proteins, YopB and YopD, Are Facilitated by Nanolipoprotein Particles
25 Mar 2016 | BioXFEL Publications | Contributor(s): Matthew Coleman, Jenny A. Cappuccio, Craig D. Blanchette, Tingjuan Gao, Erin S. Arroyo, Angela K. Hinz, Feliza A. Bourguet, Brent W. Segelke, Paul D. Hoeprich, Thomas Huser, Ted A. Laurence, Vladimir L. Motin, Brett A. Chromy
http://dx.doi.org/10.1371/journal.pone.0150166 Matthew A. Coleman and Jenny A. Cappuccio and Craig D. Blanchette and Tingjuan Gao and Erin S. Arroyo and Angela K. Hinz and Feliza A. Bourguet and Brent Segelke and Paul D. Hoeprich and Thomas Huser and Ted A. Laurence and Vladimir L. Motin and Brett …
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Expression and purification of an engineered human endothelin receptor B in a monomeric form
19 May 2016 | BioXFEL Publications | Contributor(s): A. V. Mishin, A. P. Luginina, A. P. Potapenko, V. I. Borshchevskiy, V. Katritch, E. Edelweiss, I. S. Okhrimenko, V. I. Gordeliy, V. G. Cherezov
journal-article http://dx.doi.org/10.1134/s1607672916020216 Mishin, A.V. et al., 2016. Expression and purification of an engineered human endothelin receptor B in a monomeric form. Doklady Biochemistry and Biophysics, 467(1), pp.157–161. Available at: …
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Expression platforms for producing eukaryotic proteins: a comparison of E. coli cell-based and wheat germ cell-free synthesis, affinity and solubility tags, and cloning strategies
08 Apr 2015 | BioXFEL Publications | Contributor(s): David J. Aceti, Craig A. Bingman, Russell L. Wrobel, Ronnie O. Frederick, Shin-ichi Makino, Karl W. Nichols, Sarata C. Sahu, Lai F. Bergeman, Paul G. Blommel, Claudia C. Cornilescu, Katarzyna A. Gromek, Kory D. Seder, Soyoon Hwang, John G. Primm, Grzegorz Sabat, Frank C. Vojtik, Brian F. Volkman, Zsolt Zolnai, George Phillips, John L. Markley, Brian G. Fox
http://dx.doi.org/10.1007/s10969-015-9198-1 David J. Aceti and Craig A. Bingman and Russell L. Wrobel and Ronnie O. Frederick and Shin-ichi Makino and Karl W. Nichols and Sarata C. Sahu and Lai F. Bergeman and Paul G. Blommel and Claudia C. Cornilescu and Katarzyna A. Gromek and Kory D. Seder and …
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Expression, purification and crystallization of CTB-MPR, a candidate mucosal vaccine component against HIV-1
19 Aug 2014 | BioXFEL Publications | Contributor(s): Ho-Hsien Lee, Irene Cherni, HongQi Yu, Raimund Fromme, Jeffrey D. Doran, Ingo Grotjohann, Michele Mittman, Shibom Basu, Arpan Deb, Katerina Dörner, Andrew Aquila, Anton Barty, Sébastien Boutet, Henry Chapman, R. Bruce Doak, Mark S. Hunter, Daniel James, Richard Kirian, Christopher Kupitz, Robert M Lawrence, Haiguang Liu, Karol Nass, Ilme Schlichting, Kevin E. Schmidt, M. Marvin Seibert, Robert L. Shoeman, John Spence, Francesco Stellato, Uwe Weierstall, Garth J. Williams, Chunhong Yoon, Dingjie Wang, Nadia Zatsepin, Brenda Hogue, Nobuyuki Matoba, Petra Fromme, Tsafrir S. Mor
CTB-MPR is a fusion protein between the B subunit of cholera toxin (CTB) and the membrane-proximal region of gp41 (MPR), the transmembrane envelope protein ofHuman immunodeficiency virus 1(HIV-1), and has previously been shown to induce the production of anti-HIV-1 antibodies with antiviral …
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Extended asymmetric-cut multilayer X-ray gratings
01 Jun 2015 | BioXFEL Publications | Contributor(s): Mauro Prasciolu, Anton Haase, Frank Scholze, Henry Chapman, Saša Bajt
http://dx.doi.org/10.1364/oe.23.015195 Mauro Prasciolu and Anton Haase and Frank Scholze and Henry N. Chapman and Saša Bajt Prasciolu, M. et al., 2015. Extended asymmetric-cut multilayer X-ray gratings. Optics Express, 23(12), p.15195. Available at: http://dx.doi.org/10.1364/oe.23.015195.
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Extended properties of magnetic spins of zinc ferrite nanoparticles in the THz frequency range
23 Nov 2020 | BioXFEL Publications | Contributor(s): Mohamed Abdellatif-Youssef, Martin Etter, Petra Fromme, Marco Salerno
http://dx.doi.org/10.1016/j.jmmm.2020.167574 journal-article Abdellatif-Youssef, M. et al., 2021. Extended properties of magnetic spins of zinc ferrite nanoparticles in the THz frequency range. Journal of Magnetism and Magnetic Materials, 525, p.167574. Available at: …
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Extracting conformational heterogeneity from 2D and 3D cryo-EM data
08 Feb 2024 | BioXFEL Publications | Contributor(s): Samuel Hoff, Massimiliano Bonomi, James Fraser, Eric Greene
http://dx.doi.org/10.1016/j.bpj.2023.11.376 journal-article Hoff, S., Bonomi, M., Fraser, J., & Greene, E. (2024). Extracting conformational heterogeneity from 2D and 3D cryo-EM data. Biophysical Journal, 123(3), 50a–51a. https://doi.org/10.1016/j.bpj.2023.11.376
Samuel Hoff and Massimiliano …
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Extracting water and ion distributions from solution x-ray scattering experiments
03 Jun 2016 | BioXFEL Publications | Contributor(s): Hung T. Nguyen, Suzette A. Pabit, Lois Pollack, David Case
http://dx.doi.org/10.1063/1.4953037 journal-article Nguyen, H.T. et al., 2016. Extracting water and ion distributions from solution x-ray scattering experiments. The Journal of Chemical Physics, 144(21), p.214105. Available at: http://dx.doi.org/10.1063/1.4953037.
Hung T. Nguyen and Suzette A. …
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Extraction of fast changes in the structure of a disordered ensemble of photoexcited biomolecules
13 Oct 2015 | Teaching Materials
Using pump-probe experiments of varying time intervals between pump and probe, the method of time-resolved crystallography has given many insights into the fast time variations of crystallized molecules as a result of photoexcitation. We show here that quantities extractable from multiple …
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Fabrication of wedged multilayer Laue lenses
12 Mar 2015 | BioXFEL Publications | Contributor(s): M. Prasciolu, A. F. G. Leontowich, J. Krzywinski, A. Andrejczuk, H. N. Chapman, S. Bajt
http://dx.doi.org/10.1364/ome.5.000748 M. Prasciolu and A. F. G. Leontowich and J. Krzywinski and A. Andrejczuk and H. N. Chapman and S. Bajt Prasciolu, M. et al., 2015. Fabrication of wedged multilayer Laue lenses. Opt. Mater. Express, 5(4), p.748. Available at: …
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Fast Binding Kinetics of RNA Aptamers Measured using a Novel Microfluidic Mixer
18 Apr 2015 | BioXFEL Publications | Contributor(s): Alexander L. Van Slyke, Juan Wang, Avtar Singh, Lois Pollack, Warren R. Zipfel
http://dx.doi.org/10.1016/j.bpj.2013.11.4364 journal-article Van Slyke, A.L. et al., 2014. Fast Binding Kinetics of RNA Aptamers Measured using a Novel Microfluidic Mixer. Biophysical Journal, 106(2), p.796a. Available at: http://dx.doi.org/10.1016/j.bpj.2013.11.4364.
Alexander L. Van Slyke and …
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Fast k-NNG Construction with GPU-Based Quick Multi-Select
08 May 2014 | BioXFEL Publications | Contributor(s): Ivan Komarov, Ali Dashti, Roshan M. D'Souza
http://dx.doi.org/10.1371/journal.pone.0092409 journal-article Komarov, I., Dashti, A. & D’Souza, R.M., 2014. Fast k-NNG Construction with GPU-Based Quick Multi-Select M. Gomez-Gesteira, ed. PLoS ONE, 9(5), p.e92409. Available at: http://dx.doi.org/10.1371/journal.pone.0092409.
Ivan Komarov …
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FBXW8-dependent degradation of MRFAP1 in anaphase controls mitotic cell death
16 Oct 2017 | BioXFEL Publications | Contributor(s): Duan-Zhuo Li, Shun-Fang Liu, Lan Zhu, Yu-Xing Wang, Yi-Xiang Chen, Jie Liu, Gang Hu, Xin Yu, Jian Li, Jin Zhang, Zhi-Xiang Wu, Han Lu, Wei Liu, Bin Liu
http://dx.doi.org/10.18632/oncotarget.21843 journal-article NSF-STC Biology with X-ray Lasers (NSF-1231306) Li, D.-Z. et al., 2017. FBXW8-dependent degradation of MRFAP1 in anaphase controls mitotic cell death. Oncotarget, 8(57). Available at: http://dx.doi.org/10.18632/oncotarget.21843.
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FELIX: an algorithm for indexing multiple crystallites in X-ray free-electron laser snapshot diffraction images
07 Jul 2017 | BioXFEL Publications | Contributor(s): Kenneth R. Beyerlein, Thomas A. White, Oleksandr Yefanov, Cornelius Gati, Ivan G. Kazantsev, Nicolai Fog-Gade Nielsen, Peter M. Larsen, Henry Chapman, Søren Schmidt
http://dx.doi.org/10.1107/s1600576717007506 A novel algorithm for indexing multiple crystals in snapshot X-ray diffraction images, especially suited for serial crystallography data, is presented. The algorithm, FELIX, utilizes a generalized parametrization of the Rodrigues–Frank space, in which …
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Femtosecond and nanometre visualization of structural dynamics in superheated nanoparticles
25 Jan 2016 | BioXFEL Publications | Contributor(s): Tais Gorkhover, Sebastian Schorb, Ryan Coffee, Marcus Adolph, Lutz Foucar, Daniela Rupp, Andrew Aquila, John D. Bozek, Sascha W. Epp, Benjamin Erk, Lars Gumprecht, Lotte Holmegaard, Andreas Hartmann, Robert Hartmann, Günter Hauser, Peter Holl, Andre Hömke, Per Johnsson, Nils Kimmel, Kai-Uwe Kühnel, Marc Messerschmidt, Christian Reich, Arnaud Rouzée, Benedikt Rudek, Carlo Schmidt, Joachim Schulz, Heike Soltau, Stephan Stern, Georg Weidenspointner, Bill White, Jochen Küpper, Lothar Strüder, Ilme Schlichting, Joachim Ullrich, Daniel Rolles, Artem Rudenko, Thomas Möller, Christoph Bostedt
http://dx.doi.org/10.1038/nphoton.2015.264 Tais Gorkhover and Sebastian Schorb and Ryan Coffee and Marcus Adolph and Lutz Foucar and Daniela Rupp and Andrew Aquila and John D. Bozek and Sascha W. Epp and Benjamin Erk and Lars Gumprecht and Lotte Holmegaard and Andreas Hartmann and Robert Hartmann …
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Femtosecond crystallography of membrane proteins in the lipidic cubic phase
09 Jun 2014 | BioXFEL Publications | Contributor(s): W. Liu, D. Wacker, C. Wang, E. Abola, V. Cherezov
http://dx.doi.org/10.1098/rstb.2013.0314 W. Liu and D. Wacker and C. Wang and E. Abola and V. Cherezov Liu, W. et al., 2014. Femtosecond crystallography of membrane proteins in the lipidic cubic phase. Philosophical Transactions of the Royal Society B: Biological Sciences, 369(1647), …
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Femtosecond profiling of shaped x-ray pulses
08 Mar 2018 | BioXFEL Publications | Contributor(s): M C Hoffmann, I Grguraš, C Behrens, C Bostedt, J Bozek, H Bromberger, R Coffee, J T Costello, L F DiMauro, Y Ding, G Doumy, W Helml, M Ilchen, R Kienberger, S Lee, A R Maier, T Mazza, M Meyer, M Messerschmidt, S Schorb, W Schweinberger, K Zhang, A L Cavalieri
http://dx.doi.org/10.1088/1367-2630/aab548 journal-article Hoffmann, M.C. et al., 2018. Femtosecond profiling of shaped x-ray pulses. New Journal of Physics, 20(3), p.033008. Available at: http://dx.doi.org/10.1088/1367-2630/aab548.
M C Hoffmann and I Grguraš and C Behrens and C Bostedt and J …
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Femtosecond Single-Particle Diffractive Imaging of 3D DNA-Origami Molecular Scaffolds with XFEL Pulses
12 Feb 2021 | BioXFEL Publications | Contributor(s): P. Lourdu Xavier, Kartik Ayyer, Oleksandr Yefanov, Luca Gelisio, Johan Bielecki, Amit K. Samanta, Saša Bajt, Ruojie Sha, David Bushnell, Roger Kornberg, Yevheniy Ovcharenko, Jochen Kuepper, Michael Meyer, Nadrian C. Seeman, Henry Chapman
http://dx.doi.org/10.1016/j.bpj.2020.11.1697 journal-article Xavier, P.L. et al., 2021. Femtosecond Single-Particle Diffractive Imaging of 3D DNA-Origami Molecular Scaffolds with XFEL Pulses. Biophysical Journal, 120(3), p.265a. Available at: http://dx.doi.org/10.1016/j.bpj.2020.11.1697.
P. …
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Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein
05 May 2016 | BioXFEL Publications | Contributor(s): K. Pande, C. D. M. Hutchison, G. Groenhof, A. Aquila, J. S. Robinson, J. Tenboer, S. Basu, S. Boutet, D. P. DePonte, M. Liang, T. A. White, N. A. Zatsepin, O. Yefanov, D. Morozov, D. Oberthuer, C. Gati, G. Subramanian, D. James, Y. Zhao, J. Koralek, J. Brayshaw, C. Kupitz, C. Conrad, S. Roy-Chowdhury, J. D. Coe, M. Metz, P. L. Xavier, T. D. Grant, J. E. Koglin, G. Ketawala, R. Fromme, V. rajer, R. Henning, J. C. H. Spence, A. Ourmazd, P. Schwander, U. Weierstall, M. Frank, P. Fromme, A. Barty, H. N. Chapman, K. Moffat, J. J. Van Thor, M. Schmidt
http://dx.doi.org/10.1126/science.aad5081 K. Pande and C. D. M. Hutchison and G. Groenhof and A. Aquila and J. S. Robinson and J. Tenboer and S. Basu and S. Boutet and D. P. DePonte and M. Liang and T. A. White and N. A. Zatsepin and O. Yefanov and D. Morozov and D. Oberthuer and C. Gati and G. …
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Femtosecond timing synchronization at megahertz repetition rates for an x-ray free-electron laser
18 May 2020 | BioXFEL Publications | Contributor(s): Tokushi Sato, Romain Letrun, Henry J. Kirkwood, Jia Liu, Patrik Vagovič, Grant Mills, Yoonhee Kim, Cedric M. S. Takem, Marc Planas, Moritz Emons, Tomasz Jezynski, Guido Palmer, Max Lederer, Sebastian Schulz, Jost Mueller, Holger Schlarb, Alessandro Silenzi, Gabriele Giovanetti, Andrea Parenti, Martin Bergemann, Thomas Michelat, Janusz Szuba, Jan Grünert, Henry Chapman, Adrian P. Mancuso
http://dx.doi.org/10.1364/optica.396728 journal-article NSF-STC Biology with X-ray Lasers (NSF-1231306) Sato, T. et al., 2020. Femtosecond timing synchronization at megahertz repetition rates for an x-ray free-electron laser. Optica, 7(6), p.716. Available at: …
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Femtosecond X-ray coherent diffraction of aligned amyloid fibrils on low background graphene
03 May 2018 | BioXFEL Publications | Contributor(s): Carolin Seuring, Kartik Ayyer, Eleftheria Filippaki, Miriam Barthelmess, Jean-Nicolas Longchamp, Philippe Ringler, Tommaso Pardini, David H. Wojtas, Matthew Coleman, Katerina Dörner, Silje Fuglerud, Greger Hammarin, Birgit Habenstein, Annette E. Langkilde, Antoine Loquet, Alke Meents, Roland Riek, Henning Stahlberg, Sébastien Boutet, Mark S. Hunter, Jason Koglin, Mengning Liang, Helen M. Ginn, Rick P. Millane, Matthias Frank, Anton Barty, Henry Chapman
http://dx.doi.org/10.1038/s41467-018-04116-9 journal-article Seuring, C. et al., 2018. Femtosecond X-ray coherent diffraction of aligned amyloid fibrils on low background graphene. Nature Communications, 9(1). Available at: http://dx.doi.org/10.1038/s41467-018-04116-9.
Carolin Seuring and Kartik …
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Femtosecond X-ray diffraction from an aerosolized beam of protein nanocrystals
26 Jan 2018 | BioXFEL Publications | Contributor(s): Salah Awel, Richard Kirian, Max Oliver Wiedorn, Kenneth R. Beyerlein, Nils Roth, Daniel A. Horke, Dominik Oberthür, Juraj Knoska, Valerio Mariani, Andrew Morgan, Luigi Adriano, Alexandra Tolstikova, P. Lourdu Xavier, Oleksandr Yefanov, Andrew Aquila, Anton Barty, Shatabdi Roy-Chowdhury, Mark S. Hunter, Daniel James, Joseph S. Robinson, Uwe Weierstall, Andrei V. Rode, Saša Bajt, Jochen Küpper, Henry Chapman
http://dx.doi.org/10.1107/s1600576717018131 High-resolution Bragg diffraction from aerosolized single granulovirus nanocrystals using an X-ray free-electron laser is demonstrated. The outer dimensions of the in-vacuum aerosol injector components are identical to conventional liquid-microjet nozzles …
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Femtosecond X-ray diffraction from two-dimensional protein crystals
10 Feb 2014 | BioXFEL Publications | Contributor(s): Matthias Frank, David B. Carlson, Mark S. Hunter, Garth J. Williams, Marc Messerschmidt, Nadia Zatsepin, Anton Barty, W. Henry Benner, Kaiqin Chu, Alexander T. Graf, Stefan Hau-Riege, Richard Kirian, Celestino Padeste, Tommaso Pardini, Bill Pedrini, Brent W. Segelke, M. Marvin Seibert, John Spence, Ching-Ju Tsai, Stephen M. Lane, Xiao-Dan Li, Gebhard F.X. Schertler, Sebastien Boutet, Matthew Coleman, James E. Evans
X-ray diffraction patterns from two-dimensional (2-D) protein crystals obtained using femtosecond X-ray pulses from an X-ray free-electron laser (XFEL) are presented. To date, it has not been possible to acquire transmission X-ray diffraction patterns from individual 2-D protein crystals due to …
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Femtosecond X-ray Fourier holography imaging of free-flying nanoparticles
16 Feb 2018 | BioXFEL Publications | Contributor(s): Tais Gorkhover, Anatoli Ulmer, Ken Ferguson, Max Bucher, Filipe R. N. C. Maia, Johan Bielecki, Tomas Ekeberg, Max F. Hantke, Benedikt J. Daurer, Carl Nettelblad, Jakob Andreasson, Anton Barty, Petr Bruza, Sebastian Carron, Dirk Hasse, Jacek Krzywinski, Daniel S. D. Larsson, Andrew Morgan, Kerstin Mühlig, Maria Müller, Kenta Okamoto, Alberto Pietrini, Daniela Rupp, Mario Sauppe, Gijs Van Der Schot, Marvin Seibert, Jonas A. Sellberg, Martin Svenda, Michelle Swiggers, Nicusor Timneanu, Daniel Westphal, Garth Williams, Alessandro Zani, Henry Chapman, Gyula Faigel, Thomas Möller, Janos Hajdu, Christoph Bostedt
http://dx.doi.org/10.1038/s41566-018-0110-y journal-article Gorkhover, T. et al., 2018. Femtosecond X-ray Fourier holography imaging of free-flying nanoparticles. Nature Photonics, 12(3), pp.150–153. Available at: http://dx.doi.org/10.1038/s41566-018-0110-y.
Tais Gorkhover and Anatoli Ulmer …
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Femtosecond x-ray photoelectron diffraction on gas-phase dibromobenzene molecules
10 Jun 2014 | BioXFEL Publications | Contributor(s): D Rolles, R Boll, M Adolph, A Aquila, C Bostedt, J D Bozek, H N Chapman, R Coffee, N Coppola, P Decleva, T Delmas, S W Epp, B Erk, F Filsinger, L Foucar, L Gumprecht, A Hömke, T Gorkhover, L Holmegaard, P Johnsson, Ch Kaiser, F Krasniqi, K-U Kühnel, J Maurer, M Messerschmidt, R Moshammer, W Quevedo, I Rajkovic, A Rouzée, B Rudek, I Schlichting, C Schmidt, S Schorb, C D Schröter, J Schulz, H Stapelfeldt, M Stener, S Stern, S Techert, J Thøgersen, M J J Vrakking, A Rudenko, J Küpper, J Ullrich
http://dx.doi.org/10.1088/0953-4075/47/12/124035 journal-article Rolles, D. et al., 2014. Femtosecond x-ray photoelectron diffraction on gas-phase dibromobenzene molecules. Journal of Physics B: Atomic, Molecular and Optical Physics, 47(12), p.124035. Available at: …
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Few-fs resolution of a photoactive protein traversing a conical intersection
03 Nov 2021 | BioXFEL Publications | Contributor(s): A. Hosseinizadeh, N. Breckwoldt, R. Fung, R. Sepehr, M. Schmidt, P. Schwander, R. Santra, A. Ourmazd
http://dx.doi.org/10.1038/s41586-021-04050-9 journal-article NSF-STC Biology with X-ray Lasers (NSF-1231306) Hosseinizadeh, A. et al., 2021. Few-fs resolution of a photoactive protein traversing a conical intersection. Nature, 599(7886), pp.697–701. Available at: …
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Fiber Diffraction without Fibers
27 Jun 2013 | BioXFEL Publications | Contributor(s): H.-C. Poon, P. Schwander, M. Uddin, D. K. Saldin
http://dx.doi.org/10.1103/physrevlett.110.265505 journal-article Poon, H.-C. et al., 2013. Fiber Diffraction without Fibers. Physical Review Letters, 110(26). Available at: http://dx.doi.org/10.1103/physrevlett.110.265505.
H.-C. Poon and P. Schwander and M. Uddin and D. K. Saldin
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Field dependence of cross relaxation in scandium (I=7/2)
03 Sep 2003 | BioXFEL Publications | Contributor(s): L. Pollack, E.N. Smith, R.C. Richardson
https://doi.org/10.1016/0921-4526(94)90501-0 journal-article Pollack, L., Smith, E. N., & Richardson, R. C. (1994). Field dependence of cross relaxation in scandium (I=7/2). Physica B: Condensed Matter, 194–196, 343–344. https://doi.org/10.1016/0921-4526(94)90501-0
L. Pollack and E.N. Smith …
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Filling data analysis gaps in time-resolved crystallography by machine learning
21 Jan 2025 | BioXFEL Publications | Contributor(s): Justin Trujillo, Russell Fung, Madan Kumar Shankar, Peter Schwander, Ahmad Hosseinizadeh
https://doi.org/10.1063/4.0000280 There is a growing understanding of the structural dynamics of biological molecules fueled by x-ray crystallography experiments. Time-resolved serial femtosecond crystallography (TR-SFX) with x-ray Free Electron Lasers allows the measurement of ultrafast structural …
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First Annual NSF Site Visit Photo
23 Jun 2014 | Downloads | Contributor(s): Edward J Sobczak
The BioXFEL Center meets at Hauptman-Woodward in Buffalo for its first annual NSF site visit.
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First Experiments in Structural Biology at the European X-ray Free-Electron Laser
25 May 2020 | BioXFEL Publications | Contributor(s): Grant Mills, Richard Bean, Adrian P. Mancuso
http://dx.doi.org/10.3390/app10103642 Ultrabright pulses produced in X-ray free-electron lasers (XFELs) offer new possibilities for industry and research, particularly for biochemistry and pharmaceuticals. The unprecedented brilliance of these next-generation sources enables structure determination …
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Fixed-target protein serial microcrystallography with an x-ray free electron laser
12 Aug 2014 | BioXFEL Publications | Contributor(s): Mark S. Hunter, Brent W. Segelke, Marc Messerschmidt, Garth J. Williams, Nadia Zatsepin, Anton Barty, W. Henry Benner, David B. Carlson, Matthew Coleman, Alexander Graf, Stefan Hau-Riege, Tommaso Pardini, M. Marvin Seibert, James Evans, Sébastien Boutet, Matthias Frank
http://dx.doi.org/10.1038/srep06026 Mark S. Hunter and Brent Segelke and Marc Messerschmidt and Garth J. Williams and Nadia A. Zatsepin and Anton Barty and W. Henry Benner and David B. Carlson and Matthew Coleman and Alexander Graf and Stefan P. Hau-Riege and Tommaso Pardini and M. Marvin Seibert …
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Flavin reduction activates Drosophila cryptochrome
02 Dec 2013 | BioXFEL Publications | Contributor(s): A. T. Vaidya, D. Top, C. C. Manahan, J. M. Tokuda, S. Zhang, L. Pollack, M. W. Young, B. R. Crane
http://dx.doi.org/10.1073/pnas.1313336110 journal-article Vaidya, A.T. et al., 2013. Flavin reduction activates Drosophila cryptochrome. Proceedings of the National Academy of Sciences, 110(51), pp.20455–20460. Available at: http://dx.doi.org/10.1073/pnas.1313336110.
A. T. Vaidya and D. Top …
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Flexibility and design: conformational heterogeneity along the evolutionary trajectory of a redesigned ubiquitin
19 Oct 2016 | BioXFEL Publications | Contributor(s): Justin T Biel, Michael Thompson, Christian N Cunningham, Jacob E Corn, James Fraser
http://dx.doi.org/10.1101/081646 Although protein design has been used to introduce new functions, designed variants generally only function as well as natural proteins after rounds of laboratory evolution. One possibility for this pattern is that designed mutants frequently sample nonfunctional …
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Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin
13 Apr 2017 | BioXFEL Publications | Contributor(s): Justin T. Biel, Michael Thompson, Christian N. Cunningham, Jacob E. Corn, James Fraser
http://dx.doi.org/10.1016/j.str.2017.03.009 journal-article Biel, J.T. et al., 2017. Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin. Structure, 25(5), pp.739–749.e3. Available at: http://dx.doi.org/10.1016/j.str.2017.03.009.
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Flexible Backbone Sampling Methods to Model and Design Protein Alternative Conformations
18 Feb 2013 | BioXFEL Publications | Contributor(s): Noah Ollikainen, Colin A. Smith, James Fraser, Tanja Kortemme
http://dx.doi.org/10.1016/b978-0-12-394292-0.00004-7 book-chapter Ollikainen, N. et al., 2013. Flexible Backbone Sampling Methods to Model and Design Protein Alternative Conformations. Methods in Protein Design, pp.61–85. Available at: http://dx.doi.org/10.1016/b978-0-12-394292-0.00004-7.
Noah …
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Flow-aligned, single-shot fiber diffraction using a femtosecond X-ray free-electron laser
02 Jun 2017 | BioXFEL Publications | Contributor(s): David Popp, N. Duane Loh, Habiba Zorgati, Umesh Ghoshdastider, Lu Ting Liow, Magdalena I. Ivanova, Mårten Larsson, Daniel P. DePonte, Richard Bean, Kenneth R. Beyerlein, Cornelius Gati, Dominik Oberthuer, David Arnlund, Gisela Brändén, Peter Berntsen, Duilio Cascio, Leonard M. G. Chavas, Joe Chen, Ke Ding, Holger Fleckenstein, Lars Gumprecht, Rajiv Harimoorthy, Estelle Mossou, Michael R. Sawaya, Aaron S. Brewster, Johan Hattne, Nicholas K. Sauter, Marvin Seibert, Carolin Seuring, Francesco Stellato, Thomas Tilp, David S. Eisenberg, Marc Messerschmidt, Garth J. Williams, Jason E. Koglin, Lee Makowski, Rick P. Millane, Trevor Forsyth, Sébastien Boutet, Thomas A. White, Anton Barty, Henry Chapman, Swaine L. Chen, Mengning Liang, Richard Neutze, Robert C. Robinson
http://dx.doi.org/10.1002/cm.21378 journal-article Popp, D. et al., 2017. Flow-aligned, single-shot fiber diffraction using a femtosecond X-ray free-electron laser. Cytoskeleton. Available at: http://dx.doi.org/10.1002/cm.21378.
David Popp and N. Duane Loh and Habiba Zorgati and Umesh …
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Fluorescence Recovery After Photobleaching in Lipidic Cubic Phase (LCP-FRAP)
22 Mar 2015 | BioXFEL Publications | Contributor(s): Gustavo Fenalti, Enrique E. Abola, Chong Wang, Beili Wu, Vadim Cherezov
http://dx.doi.org/10.1016/bs.mie.2014.12.008 Gustavo Fenalti and Enrique E. Abola and Chong Wang and Beili Wu and Vadim Cherezov Fenalti, G. et al., 2015. Fluorescence Recovery After Photobleaching in Lipidic Cubic Phase (LCP-FRAP). Membrane Proteins—Engineering, Purification and Crystallization, …
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Following Folding Pathways of Common Riboswitch Motifs with Time-Resolved Single-Molecule FRET
15 Feb 2019 | BioXFEL Publications | Contributor(s): Alex Plumridge, Lois Pollack
http://dx.doi.org/10.1016/j.bpj.2018.11.1931 poster Plumridge, A. & Pollack, L., 2019. Following Folding Pathways of Common Riboswitch Motifs with Time-Resolved Single-Molecule FRET. Biophysical Journal, 116(3), p.355a. Available at: http://dx.doi.org/10.1016/j.bpj.2018.11.1931.
Alex Plumridge …
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Formation and Fate of a Complete 31-Protein RNA Polymerase II Transcription Preinitiation Complex
10 Jan 2013 | BioXFEL Publications | Contributor(s): Kenji Murakami, Guillermo Calero, Christopher R. Brown, Xin Liu, Ralph E. Davis, Hinrich Boeger, Roger Kornberg
journal-article http://dx.doi.org/10.1074/jbc.m112.433623 Murakami, K. et al., 2013. Formation and Fate of a Complete 31-Protein RNA Polymerase II Transcription Preinitiation Complex. Journal of Biological Chemistry, 288(9), pp.6325–6332. Available at: http://dx.doi.org/10.1074/jbc.m112.433623.
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Four amino acids define the CO2binding pocket of enoyl-CoA carboxylases/reductases
26 Jun 2019 | BioXFEL Publications | Contributor(s): Gabriele M. M. Stoffel, David Adrian Saez, Hasan Demirci, Bastian Vögeli, Yashas Rao, Jan Zarzycki, Yasuo Yoshikuni, Soichi Wakatsuki, Esteban Vöhringer-Martinez, Tobias J. Erb
http://dx.doi.org/10.1073/pnas.1901471116 Carboxylases are biocatalysts that capture and convert carbon dioxide (CO2) under mild conditions and atmospheric concentrations at a scale of more than 400 Gt annually. However, how these enzymes bind and control the gaseous CO2molecule during catalysis is …
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Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking
14 Apr 2021 | BioXFEL Publications | Contributor(s): Marion Schuller, Galen J. Correy, Stefan Gahbauer, Daren Fearon, Taiasean Wu, Roberto Efraín Díaz, Iris Diane Young, Luan Carvalho Martins, Dominique H. Smith, Ursula Schulze-Gahmen, Tristan W. Owens, Ishan Deshpande, Gregory E. Merz, Aye C. Thwin, Justin T. Biel, Jessica K. Peters, Michelle Moritz, Nadia Herrera, Huong T. Kratochvil, Anthony Aimon, James M. Bennett, Jose Brandao Neto, Aina E. Cohen, Alexandre Dias, Alice Douangamath, Louise Dunnett, Oleg Fedorov, Matteo P. Ferla, Martin R. Fuchs, Tyler J. Gorrie-Stone, James Holton, Michael G. Johnson, Tobias Krojer, George Meigs, Ailsa J. Powell, Johannes Gregor Matthias Rack, Victor L. Rangel, Silvia Russi, Rachael E. Skyner, Clyde A. Smith, Alexei S. Soares, Jennifer L. Wierman, Kang Zhu, Peter O’Brien, Natalia Jura, Alan Ashworth, John J. Irwin, Michael Thompson, Jason E. Gestwicki, Frank Von Delft, Brian K. Shoichet, James Fraser, Ivan Ahel, Ron Morganti
http://dx.doi.org/10.1126/sciadv.abf8711 The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) macrodomain within the nonstructural protein 3 counteracts host-mediated antiviral adenosine diphosphate–ribosylation signaling. This enzyme is a promising antiviral target because catalytic …
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framesorter
20 Apr 2015 | Downloads
Framesorter is a script for parsing the output from Cheetah
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Free Electron Lasers and Crystallography
29 Aug 2014 | Teaching Materials
Paul Adams (LBNL)
BioXFEL in the greater context of crystallography
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Free-electron laser data for multiple-particle fluctuation scattering analysis
02 Oct 2018 | BioXFEL Publications | Contributor(s): Kanupriya Pande, Jeffrey J. Donatelli, Erik Malmerberg, Lutz Foucar, Billy K. Poon, Markus Sutter, Sabine Botha, Shibom Basu, R. Bruce Doak, Katerina Dörner, Sascha W. Epp, Lars Englert, Raimund Fromme, Elisabeth Hartmann, Robert Hartmann, Guenter Hauser, Johan Hattne, Ahmad Hosseinizadeh, Stephan Kassemeyer, Lukas Lomb, Sebastian F. Carron Montero, Andreas Menzel, Daniel Rolles, Artem Rudenko, Marvin M. Seibert, Raymond George Sierra, Peter Schwander, Abbas Ourmazd, Petra Fromme, Nicholas K. Sauter, Michael Bogan, John Bozek, Christoph Bostedt, Ilme Schlichting, Cheryl A. Kerfeld, Petrus H. Zwart
http://dx.doi.org/10.1038/sdata.2018.201 journal-article NSF-STC Biology with X-ray Lasers (NSF-1231306) Pande, K. et al., 2018. Free-electron laser data for multiple-particle fluctuation scattering analysis. Scientific Data, 5, p.180201. Available at: http://dx.doi.org/10.1038/sdata.2018.201.
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FreeDam – A Webtool for Free-Electron Laser-Induced Damage in Femtosecond X-ray Crystallography
21 Feb 2018 | BioXFEL Publications | Contributor(s): H. Olof Jönsson, Christofer Östlin, Howard A. Scott, Henry Chapman, Steve J. Aplin, Nicuşor Tîmneanu, Carl Caleman
http://dx.doi.org/10.1016/j.hedp.2018.02.004 journal-article Jönsson, H.O. et al., 2018. FreeDam – A Webtool for Free-Electron Laser-Induced Damage in Femtosecond X-ray Crystallography. High Energy Density Physics. Available at: http://dx.doi.org/10.1016/j.hedp.2018.02.004.
H. Olof Jönsson …
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Friction measurements of model saliva-wine solutions between polydimethylsiloxane surfaces
09 Dec 2020 | BioXFEL Publications | Contributor(s): Ryan S. Edmonds, Tanner J. Finney, Michael R. Bull, Aude A. Watrelot, Tonya L. Kuhl
http://dx.doi.org/10.1016/j.foodhyd.2020.106522 journal-article Edmonds, R.S. et al., 2021. Friction measurements of model saliva-wine solutions between polydimethylsiloxane surfaces. Food Hydrocolloids, 113, p.106522. Available at: http://dx.doi.org/10.1016/j.foodhyd.2020.106522.
Ryan S. …
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From Alignment Laser to 3D Structures: Determining Structures of GPCRs in a Compact X‐ray Light Source
03 May 2022 | BioXFEL Publications | Contributor(s): Gabriela Diaz‐Figueroa, Marc Messerschimdt, Jong Woo‐Kim, Tien Olson
http://dx.doi.org/10.1096/fasebj.2022.36.s1.r3457 journal-article NSF-STC Biology with X-ray Lasers (NSF-1231306) Diaz‐Figueroa, G., Messerschimdt, M., Woo‐Kim, J., & Olson, T. (2022). From Alignment Laser to 3D Structures: Determining Structures of GPCRs in a Compact X‐ray Light Source. The …
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From cctbx to cctbx.xfel and beyond
29 Aug 2014 | Teaching Materials
Johan Hattne (HHMI)
Algorithms to process X-ray diffraction images into accurate atomic models of macromolecules have undergone steady refinement over the past decades. As methods by which crystallographic diffraction patters are obtained are further developed, these techniques continue to provide …
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From deep TLS validation to ensembles of atomic models built from elemental motions
02 Jan 2015 | BioXFEL Publications | Contributor(s): Alexandre Urzhumtsev, Pavel Afonine, Andrew H Van Benschoten, James Fraser, Paul D Adams
The widely used Translation Libration Screw (TLS) approximation describes concerted motions of atomic groups in X-ray refinement. TLS refinement often provides a better interpretation of diffraction data and the resulting rigid body motions may subsequently be assigned biochemical significance. In …
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From deep TLS validation to ensembles of atomic models built from elemental motions
27 Jul 2015 | BioXFEL Publications | Contributor(s): Alexandre Urzhumtsev, Pavel V. Afonine, Andrew H. Van Benschoten, James Fraser, Paul D. Adams
The translation–libration–screw model first introduced by Cruickshank, Schomaker and Trueblood describes the concerted motions of atomic groups. Using TLS models can improve the agreement between calculated and experimental diffraction data. Because theT,LandSmatrices describe a combination of …
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From Protein Design to the Energy Landscape of a Cold Unfolding Protein
07 Feb 2022 | BioXFEL Publications | Contributor(s): Surya V. S. R. K Pulavarti, Jack B. Maguire, Shirley Yuen, Joseph S. Harrison, Jermel Griffin, Lakshmanane Premkumar, Edward A. Esposito, George I. Makhatadze, Angel E. Garcia, Thomas M. Weiss, Edward Snell, Brian Kuhlman, Thomas Szyperski
http://dx.doi.org/10.1021/acs.jpcb.1c10750 journal-article NSF-STC Biology with X-ray Lasers (NSF-1231306) Pulavarti, S. V. S. R. K., Maguire, J. B., Yuen, S., Harrison, J. S., Griffin, J., Premkumar, L., Esposito, E. A., Makhatadze, G. I., Garcia, A. E., Weiss, T. M., Snell, E. H., Kuhlman, B., & …
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From Static Structures to Continuous Conformational Changes on the Energy Landscapes
30 Jul 2020 | BioXFEL Publications | Contributor(s): Ghoncheh Mashayekhi, Ali Dashti, Peter Schwander, Abbas Ourmazd
http://dx.doi.org/10.1017/s1431927620018723 journal-article Mashayekhi, G. et al., 2020. From Static Structures to Continuous Conformational Changes on the Energy Landscapes. Microscopy and Microanalysis, 26(S2), pp.1614–1615. Available at: http://dx.doi.org/10.1017/s1431927620018723.
Ghoncheh …
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From Systems to Structure: Bridging Networks and Mechanism
24 Jan 2013 | BioXFEL Publications | Contributor(s): James S. Fraser, John D. Gross, Nevan J. Krogan
journal-article http://dx.doi.org/10.1016/j.molcel.2013.01.003 Fraser, J.S., Gross, J.D. & Krogan, N.J., 2013. From Systems to Structure: Bridging Networks and Mechanism. Molecular Cell, 49(2), pp.222–231. Available at: http://dx.doi.org/10.1016/j.molcel.2013.01.003.
James S. Fraser and …
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Frontiers of free-electron laser science II
06 Sep 2016 | BioXFEL Publications | Contributor(s): Roger Falcone, Michael Dunne, Henry Chapman, Makina Yabashi, Kiyoshi Ueda
http://dx.doi.org/10.1088/0953-4075/49/18/180201 journal-article Falcone, R. et al., 2016. Frontiers of free-electron laser science II. Journal of Physics B: Atomic, Molecular and Optical Physics, 49(18), p.180201. Available at: http://dx.doi.org/10.1088/0953-4075/49/18/180201.
Roger Falcone and …
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Full inactivation of alphaviruses in single particle and crystallized forms
26 Jul 2016 | BioXFEL Publications | Contributor(s): Robert M Lawrence, James D Zook, Brenda Hogue
http://dx.doi.org/10.1016/j.jviromet.2016.07.020
Robert M. Lawrence and James D. Zook and Brenda G. Hogue
Lawrence, R.M., Zook, J.D. & Hogue, B.G., 2016. Full inactivation of alphaviruses in single particle and crystallized forms. Journal of Virological Methods, 236, pp.237–244. Available at: …
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Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways
28 Jun 2016 | BioXFEL Publications | Contributor(s): Tyler D. Huber, Fengbin Wang, Shanteri Singh, Brooke R. Johnson, Jianjun Zhang, Manjula Sunkara, Steven G. Van Lanen, Andrew J. Morris, George Phillips, Jon S. Thorson
http://dx.doi.org/10.1021/acschembio.6b00348 journal-article Huber, T.D. et al., 2016. Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways. ACS Chemical Biology, 11(9), pp.2484–2491. Available at: http://dx.doi.org/10.1021/acschembio.6b00348.
Tyler D. Huber and …
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Functional Evolution of Ribonuclease Inhibitor: Insights from Birds and Reptiles
16 Jun 2014 | BioXFEL Publications | Contributor(s): Jo E. Lomax, Christopher M. Bianchetti, Aram Chang, George Phillips, Brian G. Fox, Ronald T. Raines
http://dx.doi.org/10.1016/j.jmb.2014.06.007 journal-article Lomax, J.E. et al., 2014. Functional Evolution of Ribonuclease Inhibitor: Insights from Birds and Reptiles. Journal of Molecular Biology, 426(17), pp.3041–3056. Available at: http://dx.doi.org/10.1016/j.jmb.2014.06.007.
Jo E. Lomax …
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Functional Expansion of G-Protein-Coupled Receptor Shown by Time-Resolved X-Ray Scattering
12 Feb 2021 | BioXFEL Publications | Contributor(s): C. Swathi K. Menon, Konstantinos Karpos, Thomas D. Grant, Andrey V. Struts, Steven D.E. Fried, Suchithranga M.D.C. Perera, Irina V. Kosheleva, Leslie Salas-Estrada, Alan Grossfield, Petra Fromme, Richard Kirian, Michael F. Brown
http://dx.doi.org/10.1016/j.bpj.2020.11.1003 journal-article Menon, C.S.K. et al., 2021. Functional Expansion of G-Protein-Coupled Receptor Shown by Time-Resolved X-Ray Scattering. Biophysical Journal, 120(3), p.132a. Available at: http://dx.doi.org/10.1016/j.bpj.2020.11.1003.
C. Swathi K. Menon …
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Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots
30 Mar 2018 | BioXFEL Publications | Contributor(s): Ali Dashti, Mrinal Shekhar, Danya Ben Hail, Ghoncheh Mashayekhi, Peter Schwander, Amedee Des Georges, Joachim Frank, Abhishek Singharoy, Abbas Ourmazd
http://dx.doi.org/10.1101/291922 We present a new approach to determining the conformational changes associated with biological function, and demonstrate its capabilities in the context of experimental single-particle cryo-EM snapshots of ryanodine receptor (RyR1), a Ca2+-channel involved in …
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Fundamentals of Crystal Growth
14 Oct 2015 | Teaching Materials | Contributor(s): Edward Snell, Eaton E Lattman
Dr. Ed Lattman discusses the foundations of crystallography and theoretical and practical considerations including X-ray radiation and production and crystallization nucleation, growth and optimization.
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Generalized Born Implicit Solvent Models for Biomolecules
11 Mar 2019 | BioXFEL Publications | Contributor(s): Alexey V. Onufriev, David Case
http://dx.doi.org/10.1146/annurev-biophys-052118-115325 It would often be useful in computer simulations to use an implicit description of solvation effects, instead of explicitly representing the individual solvent molecules. Continuum dielectric models often work well in describing the …
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Generic GPCR residue numbers – aligning topology maps while minding the gaps
22 Dec 2014 | BioXFEL Publications | Contributor(s): Vignir Isberg, Chris De Graaf, Andrea Bortolato, Vadim Cherezov, Vsevolod Katritch, Fiona H. Marshall, Stefan Mordalski, Jean-Philippe Pin, Raymond C. Stevens, Gerrit Vriend, David E. Gloriam
http://dx.doi.org/10.1016/j.tips.2014.11.001 Vignir Isberg and Chris de Graaf and Andrea Bortolato and Vadim Cherezov and Vsevolod Katritch and Fiona H. Marshall and Stefan Mordalski and Jean-Philippe Pin and Raymond C. Stevens and Gerrit Vriend and David E. Gloriam Isberg, V. et al., 2015. Generic …
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Genetic interaction mapping informs integrative structure determination of protein complexes
10 Dec 2020 | BioXFEL Publications | Contributor(s): Hannes Braberg, Ignacia Echeverria, Stefan Bohn, Peter Cimermancic, Anthony Shiver, Richard Alexander, Jiewei Xu, Michael Shales, Raghuvar Dronamraju, Shuangying Jiang, Gajendradhar Dwivedi, Derek Bogdanoff, Kaitlin K. Chaung, Ruth Hüttenhain, Shuyi Wang, David Mavor, Riccardo Pellarin, Dina Schneidman, Joel S. Bader, James Fraser, John Morris, James E. Haber, Brian D. Strahl, Carol A. Gross, Junbiao Dai, Jef D. Boeke, Andrej Sali, Nevan J. Krogan
http://dx.doi.org/10.1126/science.aaz4910 Determining structures of protein complexes is crucial for understanding cellular functions. Here, we describe an integrative structure determination approach that relies on in vivo measurements of genetic interactions. We construct phenotypic profiles for …
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Genomic basis for the convergent evolution of electric organs
26 Jun 2014 | BioXFEL Publications | Contributor(s): J. R. Gallant, L. L. Traeger, J. D. Volkening, H. Moffett, P.-H. Chen, C. D. Novina, G. N. Phillips, R. Anand, G. B. Wells, M. Pinch, R. Guth, G. A. Unguez, J. S. Albert, H. H. Zakon, M. P. Samanta, M. R. Sussman
http://dx.doi.org/10.1126/science.1254432 journal-article Gallant, J.R. et al., 2014. Genomic basis for the convergent evolution of electric organs. Science, 344(6191), pp.1522–1525. Available at: http://dx.doi.org/10.1126/science.1254432.
J. R. Gallant and L. L. Traeger and J. D. Volkening …
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Ghost imaging with x rays
07 Sep 2016 | BioXFEL Publications | Contributor(s): Dilano Saldin
journal-article http://dx.doi.org/10.1103/physics.9.103 Saldin, D., 2016. Ghost imaging with x rays. Physics, 9. Available at: http://dx.doi.org/10.1103/physics.9.103.
Dilano Saldin
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Goniometer-based femtosecond crystallography with X-ray free electron lasers
01 Nov 2014 | BioXFEL Publications | Contributor(s): Aina E. Cohen, S. Michael Soltis, Ana González, Laura Aguila, Roberto Alonso-Mori, Christopher Barnes, Elizabeth L. Baxter, Winnie Brehmer, Aaron S. Brewster, Axel T. Brunger, Guillermo Calero, Joseph F. Chang, Matthieu Chollet, Paul Ehrensberger, Thomas L. Eriksson, Yiping Feng, Johan Hattne, Britt Hedman, Michael Hollenbeck, James Holton, Stephen Keable, Brian K. Kobilka, Elena G. Kovaleva, Andrew C. Kruse, Henrik T. Lemke, Guowu Lin, Artem Y. Lyubimov, Aashish Manglik, Irimpan I. Mathews, Scott E. McPhillips, Silke Nelson, John W. Peters, Nicholas K. Sauter, Clyde A. Smith, Jinhu Song, Hilary P. Stevenson, Yingssu Tsai, Monarin Uervirojnangkoorn, Vladimir Vinetsky, Soichi Wakatsuki, William I. Weis, Oleg A. Zadvornyy, Oliver B. Zeldin, Diling Zhu, Keith O. Hodgson
journal-article http://dx.doi.org/10.1073/pnas.1418733111 Cohen, A.E. et al., 2014. Goniometer-based femtosecond crystallography with X-ray free electron lasers. Proceedings of the National Academy of Sciences, 111(48), pp.17122–17127. Available at: http://dx.doi.org/10.1073/pnas.1418733111.
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GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A2A Adenosine Receptor
17 Aug 2022 | BioXFEL Publications | Contributor(s): Anna Shiriaeva, Daejin Park, Gyudong Kim, Yoonji Lee, Xiyan Hou, Dnyandev B. Jarhad, Gibae Kim, Jinha Yu, Young Eum Hyun, Woomi Kim, Zhan-Guo Gao, Kenneth A. Jacobson, Gye Won Han, Raymond C. Stevens, Lak Shin Jeong, Sun Choi, Vadim Cherezov
http://dx.doi.org/10.1021/acs.jmedchem.2c00462 journal-article NSF-STC Biology with X-ray Lasers (NSF-1231306) Shiriaeva, A., Park, D., Kim, G., Lee, Y., Hou, X., Jarhad, D. B., Kim, G., Yu, J., Hyun, Y. E., Kim, W., Gao, Z.-G., Jacobson, K. A., Han, G. W., Stevens, R. C., Jeong, L. S., Choi, S., …
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GPCR structure, function, drug discovery and crystallography: report from Academia-Industry International Conference (UK Royal Society) Chicheley Hall, 1–2 September 2014
13 Mar 2015 | BioXFEL Publications | Contributor(s): Alexander Heifetz, Gebhard F.X. Schertler, Roland Seifert, Christopher G. Tate, Patrick M. Sexton, Vsevolod V. Gurevich, Daniel Fourmy, Vadim Cherezov, Fiona H. Marshall, R. Ian Storer, Isabel Moraes, Irina G. Tikhonova, Christofer S. Tautermann, Peter Hunt, Tom Ceska, Simon Hodgson, Mike J. Bodkin, Shweta Singh, Richard J. Law, Philip C. Biggin
http://dx.doi.org/10.1007/s00210-015-1111-8 Alexander Heifetz and Gebhard F. X. Schertler and Roland Seifert and Christopher G. Tate and Patrick M. Sexton and Vsevolod V. Gurevich and Daniel Fourmy and Vadim Cherezov and Fiona H. Marshall and R. Ian Storer and Isabel Moraes and Irina G. Tikhonova …
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Handling sample heterogeneity in serial crystallography
29 Aug 2014 | Teaching Materials
Oliver Zeldin (Stanford)
Serial crystallography data is made up of images obtained from a population of slightly in-homogenous crystals. We will discuss clustering and filtering approaches to (1) characterizing sample heterogeneity in unmerged data, and (2) identifying optimal sub-sets of images …
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Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase
15 Oct 2020 | BioXFEL Publications | Contributor(s): Ming-Yue Lee, James Geiger, Andrii Ishchenko, Gye Won Han, Anton Barty, Thomas A. White, Cornelius Gati, Alexander Batyuk, Mark S. Hunter, Andrew Aquila, Sébastien Boutet, Uwe Weierstall, Vadim Cherezov, Wei Liu
http://dx.doi.org/10.1107/s2052252520012701 Serial femtosecond crystallography (SFX) with X-ray free-electron lasers (XFELs) has proven highly successful for structure determination of challenging membrane proteins crystallized in lipidic cubic phase; however, like most techniques, it has …
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Heterogeneity in M. tuberculosis β-lactamase inhibition by Sulbactam
07 Sep 2023 | BioXFEL Publications | Contributor(s): Tek Narsingh Malla, Kara Zielinski, Luis Aldama, Sasa Bajt, Denisse Feliz, Brendon Hayes, Mark S. Hunter, Christopher Kupitz, Stella Lisova, Juraj Knoska, Jose Manuel Martin-Garcia, Valerio Mariani, Suraj Pandey, Ishwor Poudyal, Raymond G. Sierra, Alexandra Tolstikova, Oleksandr Yefanov, Chung Hong Yoon, Abbas Ourmazd, Petra Fromme, Peter Schwander, Anton Barty, Henry Chapman, Emina Stojkovic, Alexander Batyuk, Sébastien Boutet, George Phillips, Lois Pollack, Marius Schmidt
http://dx.doi.org/10.1038/s41467-023-41246-1 AbstractFor decades, researchers have elucidated essential enzymatic functions on the atomic length scale by tracing atomic positions in real-time. Our work builds on possibilities unleashed by mix-and-inject serial crystallography (MISC) at X-ray free …
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High intensity x-ray interaction with a model bio-molecule system: double-core-hole states and fragmentation of formamide
15 Oct 2020 | BioXFEL Publications | Contributor(s): D Koulentianos, A E A Fouda, S H Southworth, J D Bozek, J Küpper, R Santra, N V Kryzhevoi, L S Cederbaum, C Bostedt, M Messerschmidt, N Berrah, L Fang, B Murphy, T Osipov, J P Cryan, J Glownia, S Ghimire, P J Ho, B Krässig, D Ray, Y Li, E P Kanter, L Young, G Doumy
http://dx.doi.org/10.1088/1361-6455/abc183 journal-article Koulentianos, D. et al., 2020. High intensity x-ray interaction with a model bio-molecule system: double-core-hole states and fragmentation of formamide. Journal of Physics B: Atomic, Molecular and Optical Physics, 53(24), p.244005. …
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High numerical aperture multilayer Laue lenses
01 Jun 2015 | BioXFEL Publications | Contributor(s): Andrew J. Morgan, Mauro Prasciolu, Andrzej Andrejczuk, Jacek Krzywinski, Alke Meents, David Pennicard, Heinz Graafsma, Anton Barty, Richard J. Bean, Miriam Barthelmess, Dominik Oberthuer, Oleksandr Yefanov, Andrew Aquila, Henry Chapman, Saša Bajt
http://dx.doi.org/10.1038/srep09892 Andrew J. Morgan and Mauro Prasciolu and Andrzej Andrejczuk and Jacek Krzywinski and Alke Meents and David Pennicard and Heinz Graafsma and Anton Barty and Richard J. Bean and Miriam Barthelmess and Dominik Oberthuer and Oleksandr Yefanov and Andrew Aquila and …
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High Throughput Protein Nanocrystal Fractionation in a Microfluidic Sorter
20 Mar 2015 | BioXFEL Publications | Contributor(s): Bahige G. Abdallah, Shatabdi Roy-Chowdhury, Jesse David Coe, Petra Fromme, Alexandra Ros
http://dx.doi.org/10.1021/acs.analchem.5b00589 Bahige G. Abdallah and Shatabdi Roy-Chowdhury and Jesse Coe and Petra Fromme and Alexandra Ros Abdallah, B.G. et al., 2015. High Throughput Protein Nanocrystal Fractionation in a Microfluidic Sorter. Anal. Chem., 87(8), pp.4159–4167. Available at: …
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High-density grids for efficient data collection from multiple crystals
03 Dec 2015 | BioXFEL Publications | Contributor(s): Elizabeth L. Baxter, Laura Aguila, Roberto Alonso-Mori, Christopher Barnes, Christopher A. Bonagura, Winnie Brehmer, Axel T. Brunger, Guillermo Calero, Tom T. Caradoc-Davies, Ruchira Chatterjee, William F. Degrado, James Fraser, Mohamed Ibrahim, Jan Kern, Brian K. Kobilka, Andrew C. Kruse, Karl M. Larsson, Heinrik T. Lemke, Artem Y. Lyubimov, Aashish Manglik, Scott E. McPhillips, Erik Norgren, Siew S. Pang, S. M. Soltis, Jinhu Song, Jessica Thomaston, Yingssu Tsai, William I. Weis, Rahel Woldeyes, Vittal Yachandra, Junko Yano, Athina Zouni, Aina E. Cohen
Higher throughput methods to mount and collect data from multiple small and radiation-sensitive crystals are important to support challenging structural investigations using microfocus synchrotron beamlines. Furthermore, efficient sample-delivery methods are essential to carry out productive …
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High-resolution Crystal Structures of Transient Intermediates in the Phytochrome Photocycle
17 Sep 2020 | BioXFEL Publications | Contributor(s): Melissa Carrillo, Suraj Pandey, Juan Sanchez, Moraima Noda, Ishwor Poudyal, Luis Aldama, Tek Narsingh Malla, Elin Claesson, Weixiao Yuan Wahlgren, Denisse Feliz, Vukica Šrajer, Michal Maj, Leticia Castillon, So Iwata, Eriko Nango, Rie Tanaka, Tomoyuki Tanaka, Luo Fangjia, Kensuke Tono, Shigeki Owada, Sebastian Westenhoff, Emina Stojkovic, Marius Schmidt
http://dx.doi.org/10.1101/2020.09.16.298463 AbstractPhytochromes are red/far-red light photoreceptors in bacteria to plants, which elicit a variety of important physiological responses. They display a reversible photocycle between the resting (dark) Pr state and the light activated Pfr state, in …
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High-resolution crystal structures of transient intermediates in the phytochrome photocycle
23 Mar 2021 | BioXFEL Publications | Contributor(s): Melissa Carrillo, Suraj Pandey, Juan Sanchez, Moraima Noda, Ishwor Poudyal, Luis Aldama, Tek Narsingh Malla, Elin Claesson, Weixiao Yuan Wahlgren, Denisse Feliz, Vukica Šrajer, Michał Maj, Leticia Castillon, So Iwata, Eriko Nango, Rie Tanaka, Tomoyuki Tanaka, Luo Fangjia, Kensuke Tono, Shigeki Owada, Sebastian Westenhoff, Emina Stojkovic, Marius Schmidt
http://dx.doi.org/10.1016/j.str.2021.03.004 journal-article NSF-STC Biology with X-ray Lasers (NSF-1231306) Carrillo, M. et al., 2021. High-resolution crystal structures of transient intermediates in the phytochrome photocycle. Structure. Available at: http://dx.doi.org/10.1016/j.str.2021.03.004.
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High-Resolution NMR Reveals Secondary Structure and Folding of Amino Acid Transporter from Outer Chloroplast Membrane
29 Oct 2013 | BioXFEL Publications | Contributor(s): James D Zook, Trivikram R. Molugu, Neil E. Jacobsen, Guangxin Lin, Jürgen Soll, Brian R. Cherry, Michael F. Brown, Petra Fromme
http://dx.doi.org/10.1371/journal.pone.0078116 journal-article Zook, J.D. et al., 2013. High-Resolution NMR Reveals Secondary Structure and Folding of Amino Acid Transporter from Outer Chloroplast Membrane O. Y. Dmitriev, ed. PLoS ONE, 8(10), p.e78116. Available at: …
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High-Resolution NMR Spectroscopy Reveals Structure of Lipoprotein flpp3
18 Apr 2015 | BioXFEL Publications | Contributor(s): James D Zook, Nicholas Sisco, Gina Mo, Debra Hansen, Felicia Craciunescu, Brian Cherry, Kathryn Sykes, Wade Van Horn, Petra Fromme
http://dx.doi.org/10.1016/j.bpj.2013.11.1142 journal-article Zook, J.D. et al., 2014. High-Resolution NMR Spectroscopy Reveals Structure of Lipoprotein flpp3. Biophysical Journal, 106(2), p.193a. Available at: http://dx.doi.org/10.1016/j.bpj.2013.11.1142.
James D. Zook and Nicholas Sisco and …
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High-resolution structure of viruses from random diffraction snapshots
09 Jun 2014 | BioXFEL Publications | Contributor(s): A. Hosseinizadeh, P. Schwander, A. Dashti, R. Fung, R. M. D'Souza, A. Ourmazd
http://dx.doi.org/10.1098/rstb.2013.0326
A. Hosseinizadeh and P. Schwander and A. Dashti and R. Fung and R. M. D'Souza and A. Ourmazd
Hosseinizadeh, A. et al., 2014. High-resolution structure of viruses from random diffraction snapshots. Philosophical Transactions of the Royal Society B: …
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High-resolution structure of viruses from random diffraction snapshots
13 Oct 2015 | Teaching Materials
The advent of the X-ray free-electron laser (XFEL) has made it possible to record diffraction snapshots of biological entities injected into the X-ray beam before the onset of radiation damage. Algorithmic means must then be used to determine the snapshot orientations and thence the …
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High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction
02 Nov 2015 | BioXFEL Publications | Contributor(s): Jessica L. Thomaston, Mercedes Alfonso-Prieto, Rahel Woldeyes, James Fraser, Michael L. Klein, Giacomo Fiorin, William F. DeGrado
http://dx.doi.org/10.1073/pnas.1518493112
Jessica L. Thomaston and Mercedes Alfonso-Prieto and Rahel A. Woldeyes and James S. Fraser and Michael L. Klein and Giacomo Fiorin and William F. DeGrado
Thomaston, J.L. et al., 2015. High-resolution structures of the M2 channel from influenza A virus …
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High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions
04 Jan 2018 | BioXFEL Publications | Contributor(s): Jana Broecker, Takefumi Morizumi, Wei-Lin Ou, Viviane Klingel, Anling Kuo, David J Kissick, Andrii Ishchenko, Ming-Yue Lee, Shenglan Xu, Oleg Makarov, Vadim Cherezov, Craig M Ogata, Oliver P Ernst
http://dx.doi.org/10.1038/nprot.2017.135 journal-article Broecker, J. et al., 2018. High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions. Nature Protocols, 13(2), pp.260–292. Available at: …
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High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application
03 Dec 2019 | BioXFEL Publications | Contributor(s): Geoffrey W. Grime, Oliver B. Zeldin, Mary E. Snell, Edward D. Lowe, John F. Hunt, Gaetano T. Montelione, Liang Tong, Edward Snell, Elspeth F. Garman
http://dx.doi.org/10.1021/jacs.9b09186 journal-article NSF-STC Biology with X-ray Lasers (NSF-1231306) Grime, G.W. et al., 2019. High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application. Journal of the American Chemical …
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High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source
04 Apr 2019 | BioXFEL Publications | Contributor(s): Jose M. Martin-Garcia, Lan Zhu, Derek Mendez, Ming-Yue Lee, Eugene Chun, Chufeng Li, Hao Hu, GANESH SUBRAMANIAN, David Kissick, Craig Ogata, Robert Henning, Andrii Ishchenko, Zachary Dobson, Shangji Zhang, Uwe Weierstall, John Spence, Petra Fromme, Nadia Zatsepin, Robert F. Fischetti, Vadim Cherezov, Wei Liu
http://dx.doi.org/10.1107/s205225251900263x Since the first successful serial crystallography (SX) experiment at a synchrotron radiation source, the popularity of this approach has continued to grow showing that third-generation synchrotrons can be viable alternatives to scarce X-ray free-electron …
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Hit Rate Calculator
01 Apr 2015 | Downloads | Contributor(s): Tom Grant
Data Analysis Scripts 'hits' is a python script that can be used to quickly calculate hits and hit rates from a series of different experimental runs from an SFX experiment when using Cheetah for hit finding. It uses Cheetah's frames.txt file to calculate hits. By default it will use your own …
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Hollow cone illumination for fast TEM, and outrunning damage with electrons
23 Sep 2015 | BioXFEL Publications | Contributor(s): J C H Spence, G Subramanian, P Musumeci
http://dx.doi.org/10.1088/0953-4075/48/21/214003 J C H Spence and G Subramanian and P Musumeci Spence, J.C.H., Subramanian, G. & Musumeci, P., 2015. Hollow cone illumination for fast TEM, and outrunning damage with electrons. Journal of Physics B: Atomic, Molecular and Optical Physics, 48(21), …
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How 2'- O -Methylation in mRNA Disrupts tRNA Decoding during Translation Elongation
06 Feb 2018 | BioXFEL Publications | Contributor(s): Junhong Choi, Gabriele Indrisiunaite, Hasan Demirci, Ka-Weng Ieong, Jinfan Wang, Alexey Petrov, Arjun Prabhakar, Gideon Rechavi, Dan Dominissini, Chuan He, Måns Ehrenberg, Joseph D. Puglisi
http://dx.doi.org/10.1016/j.bpj.2017.11.3237 journal-article NSF-STC Biology with X-ray Lasers (NSF-1231306) Choi, J. et al., 2018. How 2’- O -Methylation in mRNA Disrupts tRNA Decoding during Translation Elongation. Biophysical Journal, 114(3), p.592a. Available at: …
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How Cubic Can Ice Be?
28 Jun 2017 | BioXFEL Publications | Contributor(s): Andrew J. Amaya, Harshad Pathak, Viraj P. Modak, Hartawan Laksmono, N. Duane Loh, Jonas A. Sellberg, Raymond G. Sierra, Trevor A. McQueen, Matt J. Hayes, Garth J. Williams, Marc Messerschmidt, Sébastien Boutet, Michael J. Bogan, Anders Nilsson, Claudiu A. Stan, Barbara E. Wyslouzil
http://dx.doi.org/10.1021/acs.jpclett.7b01142 journal-article Amaya, A.J. et al., 2017. How Cubic Can Ice Be? The Journal of Physical Chemistry Letters, pp.3216–3222. Available at: http://dx.doi.org/10.1021/acs.jpclett.7b01142.
Andrew J. Amaya and Harshad Pathak and Viraj P. Modak and Hartawan …
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How directed evolution reshapes the energy landscape in an enzyme to boost catalysis
19 Nov 2020 | BioXFEL Publications | Contributor(s): Renee Otten, Ricardo A. P. Pádua, H. Adrian Bunzel, Vy Nguyen, Warintra Pitsawong, MacKenzie Patterson, Shuo Sui, Sarah Perry, Aina E. Cohen, Donald Hilvert, Dorothee Kern
http://dx.doi.org/10.1126/science.abd3623 The advent of biocatalysts designed computationally and optimized by laboratory evolution provides an opportunity to explore molecular strategies for augmenting catalytic function. Applying a suite of NMR, crystallographic, and stopped-flow techniques to an …
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How good are my data?
29 Aug 2014 | Teaching Materials
Nick Sauter (LBNL)
A design goal of the data reduction package cctbx.xfel is to discover and apply the numerous systematic corrections necessary to correctly model XFEL diffraction images. Numerous challenges must be addressed to interpret serial femtosecond diffraction, including an inaccurate …
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How the Conformations of an Internal Junction Contribute to Fold an RNA Domain
04 Oct 2018 | BioXFEL Publications | Contributor(s): Yen-Lin Chen, Julie L. Sutton, Lois Pollack
http://dx.doi.org/10.1021/acs.jpcb.8b07262 journal-article Chen, Y.-L., Sutton, J.L. & Pollack, L., 2018. How the Conformations of an Internal Junction Contribute to Fold an RNA Domain. The Journal of Physical Chemistry B. Available at: http://dx.doi.org/10.1021/acs.jpcb.8b07262.
Yen-Lin Chen …
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ID: 294 Tumor Cell Signaling Through Integrin alpha5beta1 Requires Urokinase Receptor Binding
06 Nov 2006 | BioXFEL Publications | Contributor(s): H. Chapman, C. Tang, L. Robillard, Y. Kim, Y. Wei
http://dx.doi.org/10.1111/j.1538-7836.2006.00294.x journal-article Chapman, H. et al., 2006. ID: 294 Tumor Cell Signaling Through Integrin alpha5beta1 Requires Urokinase Receptor Binding. Journal of Thrombosis and Haemostasis, 4(s1), pp.78–78. Available at: …
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Identification of New L-Heptanoylphosphatidyl Inositol Pentakisphosphate Derivatives Targeting the Interaction with HIV-1 Gag by Molecular Modelling Studies
12 Oct 2022 | BioXFEL Publications | Contributor(s): Halilibrahim Ciftci, Belgin Sever, Esra Ayan, Mustafa Can, Hasan Demirci, Masami Otsuka, Amaç Fatih TuYuN, Hiroshi Tateishi, Mikako Fujita
http://dx.doi.org/10.3390/ph15101255 The HIV-1 Gag protein binds to the host cell membrane and assembles into immature particles. Then, in the course of immature virion budding, activated protease cleaves Gag into its main components: MA, CA, NC, and p6 proteins. The highly basic residues of MA …
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Identification of Phosphorylation Codes for Arrestin Recruitment by G Protein-Coupled Receptors
27 Jul 2017 | BioXFEL Publications | Contributor(s): X. Edward Zhou, Yuanzheng He, Parker W. De Waal, Xiang Gao, Yanyong Kang, Ned Van Eps, Yanting Yin, Kuntal Pal, Devrishi Goswami, Thomas A. White, Anton Barty, Naomi R. Latorraca, Henry Chapman, Wayne L. Hubbell, Ron O. Dror, Raymond C. Stevens, Vadim Cherezov, Vsevolod V. Gurevich, Patrick R. Griffin, Oliver P. Ernst, Karsten Melcher, H. Eric Xu
http://dx.doi.org/10.1016/j.cell.2017.07.002 journal-article Zhou, X.E. et al., 2017. Identification of Phosphorylation Codes for Arrestin Recruitment by G Protein-Coupled Receptors. Cell, 170(3), pp.457–469.e13. Available at: http://dx.doi.org/10.1016/j.cell.2017.07.002.
X. Edward Zhou and …