Results 1 to 10 of about 1,995,300 (274)

Automatic processing of macromolecular crystallography X-ray diffraction data at the ESRF. [PDF]

J Appl Crystallogr, 2013
A system for the automatic reduction of single- and multi-position macromolecular crystallography data is presented.
Monaco S, Gordon E, Bowler MW, Delagenière S, Guijarro M, Spruce D, Svensson O, McSweeney SM, McCarthy AA, Leonard G, Nanao MH.   +10 more
europepmc   +2 more sources

The Photovoltaic Performance of Sensitizers for Organic Solar Cells Containing Fluorinated Chalcones with Different Halogen Substituents

Crystals, 2021
Two newly halogenated chalcones, derivatives of C15H10ClFO (CH-ClF) and C15H10F2O (CH-FF), were synthesized using the Claisen–Schmidt condensation method.
Siti Nabilla Aliya Mohd Nizar, Siti Noor Farhana Ab Rahman, Muhamad Fikri Zaini, Ainizatul Husna Anizaim, Ibrahim Abdul Razak, Suhana Arshad   +5 more
doaj   +1 more source

The current role and evolution of X-ray crystallography in drug discovery and development

Expert Opinion on Drug Discovery, 2023
Introduction Macromolecular X-ray crystallography and cryo-EM are currently the primary techniques used to determine the three-dimensional structures of proteins, nucleic acids, and viruses.
Vanessa Bijak, Michal Szczygiel, J. Lenkiewicz, Michael Gucwa, D. Cooper, K. Murzyn, W. Minor   +6 more
semanticscholar   +1 more source

Chemical crystallography by serial femtosecond X-ray diffraction

Nature, 2022
Inorganic–organic hybrid materials represent a large share of newly reported structures, owing to their simple synthetic routes and customizable properties 1 .
Elyse A. Schriber, Daniel W. Paley, R. Bolotovsky, Daniel J. Rosenberg, R. Sierra, A. Aquila, D. Mendez, F. Poitevin, Johannes P. Blaschke, A. Bhowmick, Ryan P. Kelly, M. Hunter, Brandon Hayes, Derek C. Popple, M. Yeung, Carina Pareja‐Rivera, Carina Pareja-Rivera, Stella Lisova, K. Tono, M. Sugahara, S. Owada, T. Kuykendall, K. Yao, P. Schuck, Diego Solís-Ibarra, N. Sauter, A. Brewster, J. Hohman   +27 more
semanticscholar   +1 more source

Structure determination of GPCRs: cryo-EM compared with X-ray crystallography

Biochemical Society Transactions, 2021
G protein-coupled receptors (GPCRs) are the largest single family of cell surface receptors encoded by the human genome and they play pivotal roles in co-ordinating cellular systems throughout the human body, making them ideal drug targets.
J. García-Nafría, C. Tate
semanticscholar   +1 more source

(E)-1-(Benzo[d][1,3]dioxol-5-yl)-3-([2,2′-bithiophen]-5-yl)prop-2-en-1-one: crystal structure, UV–Vis analysis and theoretical studies of a new π-conjugated chalcone

Acta Crystallographica Section E: Crystallographic Communications, 2019
In the title compound, C18H12O3S2, synthesized by the Claisen–Schmidt condensation method, the essentially planar chalcone unit adopts an s-cis configuration with respect to the carbonyl group within the ethylenic bridge.
Ainizatul Husna Anizaim, Muhamad Fikri Zaini, Muhammad Adlan Laruna, Ibrahim Abdul Razak, Suhana Arshad   +4 more
doaj   +1 more source

Structural, Hirshfeld and DFT studies of conjugated D–π–A carbazole chalcone crystal

Acta Crystallographica Section E: Crystallographic Communications, 2020
A new conjugated carbazole chalcone compound, (E)-3-[4-(9,9a-dihydro-8aH-carbazol-9-yl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one (CPNC), C27H18N2O3, was synthesized using a Claisen–Schmidt condensation reaction.
Muhamad Fikri Zaini, Ibrahim Abdul Razak, Wan Mohd Khairul, Suhana Arshad   +3 more
doaj   +1 more source

Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-1-(4-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one

Acta Crystallographica Section E: Crystallographic Communications, 2019
The asymmetric unit of the title halogenated chalcone derivative, C15H10BrFO, contains two independent molecules, both adopting an s-cis configuration with respect to the C=O and C=C bonds. In the crystal, centrosymmetrically related molecules are linked
Muhamad Fikri Zaini, Ibrahim Abdul Razak, Mohamad Zahid Anis, Suhana Arshad   +3 more
doaj   +1 more source

Crystal structures, DFT studies and UV–visible absorption spectra of two anthracenyl chalcone derivatives

Acta Crystallographica Section E: Crystallographic Communications, 2018
The crystal structures of (E)-1-(anthracen-9-yl)-3-(3H-indol-2-yl)prop-2-en-1-one, C25H17NO, and (E)-1-(anthracen-9-yl)-3-[4-(dimethylamino)naphthalen-1-yl]prop-2-en-1-one, C29H23NO, are reported.
Dian Alwani Zainuri, Ibrahim Abdul Razak, Suhana Arshad   +2 more
doaj   +1 more source

Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography

Nature Communications, 2020
The COVID-19 disease caused by the SARS-CoV-2 coronavirus has become a pandemic health crisis. An attractive target for antiviral inhibitors is the main protease 3CL Mpro due to its essential role in processing the polyproteins translated from viral RNA.
D. Kneller, G. Phillips, Hugh M. O’Neill, R. Jedrzejczak, L. Stols, P. Langan, A. Joachimiak, L. Coates, A. Kovalevsky   +8 more
semanticscholar   +1 more source