Results 191 to 200 of about 7,626 (235)

Radiation‐induced peroxide rupture and its temperature‐dependent repair probed by homogeneous X‐ray irradiation

Acta Crystallographica Section D, Volume 82, Issue 5, Page 492-503, May 2026.
This manuscript investigates the X‐ray‐induced radiolysis of the catalytic C5‐peroxide adduct in urate oxidase crystals, utilizing a top‐hat X‐ray beam to monitor peroxide occupancy across extensive dose series at both 100 K and room temperature. The study reveals a kinetic phase transition where the peroxide decays rapidly via zero‐order kinetics at ...
Symeon Koulas, Soi Bui, Julius B. Kirkegaard, Gleb Bourenkov, Roberto A. Steiner   +4 more
wiley   +1 more source

Radiation damage in sub‐Ångström resolution macromolecular crystallography: a low‐dose study

Acta Crystallographica Section D, Volume 82, Issue 5, Page 484-491, May 2026.
This first systematic radiation‐damage study at 0.55 Å resolution reveals extensive small conformational changes in response to dose. The findings demonstrate the benefits of using large crystals fully bathed in a large `top‐hat' beam with a uniform fluence profile, together with low‐dose data‐collection protocols, for sub‐Ångström structure ...
Gleb Bourenkov, Elham Paknia, Claus Flensburg, Rasmus Fogh, Peter Keller, Clemens Vonrhein, Gérard Bricogne, Ashwin Chari   +7 more
wiley   +1 more source

Steering the Shape‐shifting of Bullvalene‐PdII Complexes Through Steric and Geometric Strain

Angewandte Chemie, Volume 138, Issue 16, 13 April 2026.
This study explores the use of bis‐pyridyl substituted bullvalenes as dynamic shape‐shifting ligands within cis‐capped PdII complexes. The ring position of the pyridyl nitrogen is critical, leading to a range of Pd2L2 metallacycles and simple PdL complexes, each with distinctive bullvalene isomer preferences (represented in the figure by A‐D isomer ...
André P. Birvé, Witold M. Bloch, Thomas Fallon   +2 more
wiley   +2 more sources

Mapping the effects of specific radiation damage and solvent radiolysis in buffers and crystals with online UV–Vis absorption spectroscopy

Acta Crystallographica Section D, Volume 82, Issue 5, Page 504-515, May 2026.
Radiation‐induced changes during X‐ray crystallographic data collection can compromise concurrent spectroscopic studies. Suitable protocols to detect and identify spectral artefacts from crystallization buffers and cryoprotectants are essential for the reliable analysis of chromophoric ligands in macromolecules.Online UV–Vis absorption spectroscopy is ...
Jack Stubbs, Nicolas Caramello, Matthew J. Rodrigues, Sylvain Engilberge, Eric Mathieu, Samuel L. Rose, Gwyndaf Evans, Antoine Royant, Ivo Tews   +8 more
wiley   +1 more source

Structural Insights Into CO2 Transport Pathways in a W‐Formate Dehydrogenase: Structural Basis for CO2 Reduction

Angewandte Chemie, Volume 138, Issue 16, 13 April 2026.
Integrated structural analysis of N. vulgaris formate dehydrogenase AB, an enzyme with applications in climate change mitigation, is reported. The substrate/product diffusion pathways were fully mapped, and a retention site was identified that transiently holds substrates and has a key role in CO2‐reducing activity.
Guilherme Vilela‐Alves, Rita Rebelo Manuel, Guilherme Martins, Philippe Carpentier, Agata Raczyńska, Maciej Szaleniec, Inês A. Cardoso Pereira, Maria João Romão, Cristiano Mota   +8 more
wiley   +2 more sources

Alphafuser: a parsimonious approach to predicting higher‐order protein complexes

Acta Crystallographica Section D, Volume 82, Issue 5, Page 421-433, May 2026.
Alphafuser is a structure‐prediction pipeline that integrates experimental interaction data with AlphaFold‐based modeling to systematically assemble multiprotein complexes in a computationally efficient manner. By implementing an ipTM‐based pruning algorithm and validating against known structures and experimental assays, Alphafuser enables the ...
Audrey Guillotin, Stephanie Hutin, Lorelei Masselot-Joubert, Kamel Hammani, Chloe Zubieta, Max Nanao   +5 more
wiley   +1 more source

Gaining insights into MmpL3: combining structural and computational approaches to unlock transport and inhibitor‐binding mechanisms

Acta Crystallographica Section D, Volume 82, Issue 5, Page 550-570, May 2026.
This study investigates the mycobacterial membrane protein MmpL3, a key target for new antituberculosis drugs, by combining high‐resolution crystallography and computational simulations. It reveals how the inhibitor UPAR‐1109 binds to MmpL3, providing detailed insights into the function and flexibility of the protein and supporting the rational design ...
Satoshi Murakami, Domenico Marson, Eiki Yamashita, Bruno Broshka, Ui Okada, Maho Aoki, Giannamaria Annunziato, Erik Laurini, Emanuele Carosati, Marco Pieroni   +9 more
wiley   +1 more source

Structural Mechanism of an Efficacy Photoswitch Targeting the β2‐adrenergic Receptor

Angewandte Chemie International Edition, Volume 65, Issue 18, 27 April 2026.
Time‐resolved structures from x‐ray free‐electron laser measurements combined with cellular assays demonstrate how the photoswitchable β‐blocker photoazolol‐1 acts as an efficacy switch of β2‐adrenergic receptor function. Light‐induced ligand repositioning shifts activity from inverse agonism toward neutral antagonism by altering local helical ...
Robin Stipp, Quentin Bertrand, Matilde Trabuco, Anna Duran‐Corbera, Maria Tindara Ignazzitto, Hannah Glover, Fabienne Stierli, Juanlo Catena, Melissa Carrillo, Sina Hartmann, Hans‐Peter Seidel, Matthias Mulder, Thomas Mason, Yasushi Kondo, Maximillian Wranik, Martin Appleby, Christoph Sager, Raymond Sierra, Gregory Gate, Pamela Schleissner, Xinxin Cheng, Tobias Weinert, Robert Cheng, Sandra Mous, John H. Beale, Michal Kepa, Amadeu Llebaria, Michael Hennig, Xavier Rovira, Joerg Standfuss   +29 more
wiley   +1 more source

Crystal Structures, Raman Spectra, and Thermal Analysis of Cobalt(III) Ammine Coordination Compounds in the Context of Battery Materials

Zeitschrift für anorganische und allgemeine Chemie, Volume 652, Issue 6, 07 April 2026.
A series of Co(III) ammine coordination compounds, which are potential precursors for battery materials, were synthesized and characterized by X‐ray diffraction, Raman spectroscopy, and thermal analysis. These methods provide complementary insight into structural motifs and decomposition behavior as well as an easy way to identify Co(III) complexes ...
Florian Gattnar, Horst Schmidt, Hagen Fiebig, Daniela Freyer, Gero Frisch   +4 more
wiley   +1 more source

50th anniversary of the Stanford SSRL synchrotron radiation and protein crystallography initiative. [PDF]

J Synchrotron Radiat
Helliwell JR, Nave C, Szebenyi DM.
europepmc   +1 more source