Results 1 to 10 of about 470,172 (244)

Exploring serial crystallography for drug discovery [PDF]

IUCrJ, 2023
Structure-based drug design is highly dependent on the availability of structures of the protein of interest in complex with lead compounds. Ideally, this information can be used to guide the chemical optimization of a compound into a pharmaceutical drug
A. Dunge, C. Phan, O. Uwangue, M. Bjelcic, J. Gunnarsson, G. Wehlander, H. Käck, G. Brändén   +7 more
doaj   +5 more sources

Robust error calibration for serial crystallography [PDF]

Structural Dynamics
Serial crystallography is an important technique with unique abilities to resolve enzymatic transition states, minimize radiation damage to sensitive metalloenzymes, and perform de novo structure determination from micron sized crystals.
David W. Mittan-Moreau, Vanesa Oklejas, Daniel W. Paley, Asmit Bhowmick, Jan Kern, Nicholas K. Sauter, Aaron S. Brewster   +6 more
doaj   +7 more sources

Data reduction in protein serial crystallography [PDF]

IUCrJ
Serial crystallography (SX) has become an established technique for protein structure determination, especially when dealing with small or radiation-sensitive crystals and investigating fast or irreversible protein dynamics. The advent of newly developed
Marina Galchenkova, Alexandra Tolstikova, Bjarne Klopprogge, Janina Sprenger, Dominik Oberthuer, Wolfgang Brehm, Thomas A. White, Anton Barty, Henry N. Chapman, Oleksandr Yefanov   +9 more
doaj   +6 more sources

Droplet microfluidics for time-resolved serial crystallography [PDF]

IUCrJ
Serial crystallography requires large numbers of microcrystals and robust strategies to rapidly apply substrates to initiate reactions in time-resolved studies.
Jack Stubbs, Theo Hornsey, Niall Hanrahan, Luis Blay Esteban, Rachel Bolton, Martin Malý, Shibom Basu, Julien Orlans, Daniele de Sanctis, Jung-uk Shim, Patrick D. Shaw Stewart, Allen M. Orville, Ivo Tews, Jonathan West   +13 more
doaj   +8 more sources

Room-temperature X-ray fragment screening with serial crystallography [PDF]

Nature Communications
Structural insights into protein-ligand interactions are essential for advancing drug development, with macromolecular X-ray crystallography being a cornerstone technique.
Sebastian Günther, Pontus Fischer, Marina Galchenkova, Sven Falke, Patrick Y. A. Reinke, Sreevidya Thekku Veedu, Ana Carolina Rodrigues, Johanna Senst, Daniel Elinjikkal, Lars Gumprecht, Jan Meyer, Henry N. Chapman, Miriam Barthelmess, Alke Meents   +13 more
doaj   +6 more sources

Serial crystallography is just getting started [PDF]

Structural Dynamics
When serial crystallography at XFELs was first being developed, it was unclear how it should best be used. Early experiments included studying single crystals, or weak or small crystals, or sample delivery methods that over used crystal material or under
Aaron S Brewster, Daniel W Paley, David W Mittan-Moreau, Nicholas K Sauter   +3 more
doaj   +3 more sources

In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry [PDF]

IUCrJ
The advent of serial crystallography has rejuvenated and popularized room-temperature X-ray crystal structure determination. Structures determined at physiological temperature reveal protein flexibility and dynamics. In addition, challenging samples (e.g.
Nicolas Foos, Jean-Baptise Florial, Mathias Eymery, Jeremy Sinoir, Franck Felisaz, Marcus Oscarsson, Antonia Beteva, Matthew W. Bowler, Didier Nurizzo, Gergely Papp, Montserrat Soler-Lopez, Max Nanao, Shibom Basu, Andrew A. McCarthy   +13 more
doaj   +3 more sources

Effect of crystal-to-detector distance shift on data processing in serial crystallography. [PDF]

PLoS One
Serial crystallography (SX) is an emerging technique to determine the room-temperature structure of macromolecules while minimizing any radiation damage. In SX, many crystals are continuously delivered to the X-ray interaction points. Crystal-to-detector
Nam KH.
europepmc   +2 more sources

Novel fixed-target serial crystallography flip-holder for macromolecular crystallography beamlines at synchrotron radiation sources. [PDF]

J Synchrotron Radiat
We present the development of a novel fixed-target flip-holder for synchrotron serial crystallography. This holder simplifies the sample handling process, reduces dehydration risks, and enables efficient crystallography experiments with minimal sample ...
Gu DH, Jeong DT, Eo C, Seo PW, Kim JS, Park SY.   +5 more
europepmc   +2 more sources

Application of signal separation to diffraction image compression and serial crystallography. [PDF]

J Appl Crystallogr
We introduce a new signal-separation algorithm for precise background assessment and describe its application to single-crystal image compression and serial crystallography data pre-processing.
Kieffer J, Orlans J, Coquelle N, Debionne S, Basu S, Homs A, Santoni G, De Sanctis D.   +7 more
europepmc   +2 more sources