Results 1 to 10 of about 1,999,645 (324)

The current role and evolution of X-ray crystallography in drug discovery and development. [PDF]

Expert Opin Drug Discov, 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.
Bijak V, Szczygiel M, Lenkiewicz J, Gucwa M, Cooper DR, Murzyn K, Minor W.   +6 more
europepmc   +2 more sources

International Tables for X-Ray Crystallography [PDF]

Nature, 1953
P. P. Ewald
openalex   +2 more sources

International Tables for X-ray Crystallography [PDF]

, 1983
M. Sohma, I Kawaoa, M. Saeki, I. Kawada
openalex   +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

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

findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM

IUCrJ, 2021
findMySequence is presented – a machine-learning method for the identification of unknown proteins and sequence-assignment validation in cryo-EM and X-ray crystallography.
G. Chojnowski, A. Simpkin, D. Leonardo, Wolfram Seifert-Dávila, D. Vivas-Ruiz, R. Keegan, D. Rigden   +6 more
semanticscholar   +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

Protein X-ray Crystallography and Drug Discovery

Molecules, 2020
With the advent of structural biology in the drug discovery process, medicinal chemists gained the opportunity to use detailed structural information in order to progress screening hits into leads or drug candidates.
L. Maveyraud, L. Mourey
semanticscholar   +1 more source

A guide to membrane protein X‐ray crystallography

The FEBS Journal, 2020
Membrane proteins play critical physiological roles in all organisms, from ion transport and signal transduction to multidrug resistance. Elucidating their 3D structures is essential for understanding their functions, and this information can also be ...
A. A. Kermani
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