Results 161 to 170 of about 2,154,457 (328)

Zinc mediated dimer of human interferon-α2b revealed by X-ray crystallography [PDF]

, 1996
R. Radhakrishnan, Leigh J. Walter, Alan Hruza, Paul Reichert, Paul P. Trotta, Tattanahalli L. Nagabhushan, Mark R. Walter   +6 more
openalex   +1 more source

opXRD: Open Experimental Powder X‐Ray Diffraction Database

Advanced Intelligent Discovery, EarlyView.
We introduce the Open Experimental Powder X‐ray Diffraction Database, the largest openly accessible collection of experimental powder diffractograms, comprising over 92,000 patterns collected across diverse material classes and experimental setups. Our ongoing effort aims to guide machine learning research toward fully automated analysis of pXRD data ...
Daniel Hollarek, Henrik Schopmans, Jona Östreicher, Jonas Teufel, Bin Cao, Adie Alwen, Simon Schweidler, Mriganka Singh, Tim Kodalle, Hanlin Hu, Gregoire Heymans, Maged Abdelsamie, Arthur Hardiagon, Alexander Wieczorek, Siarhei Zhuk, Ruth Schwaiger, Sebastian Siol, François‐Xavier Coudert, Moritz Wolf, Carolin M. Sutter‐Fella, Ben Breitung, Andrea M. Hodge, Tong‐yi Zhang, Pascal Friederich   +23 more
wiley   +1 more source

Fragment‐Based Drug Discovery of Novel High‐affinity, Selective, and Anti‐inflammatory Inhibitors of the Keap1‐Nrf2 Protein‐Protein Interaction

Angewandte Chemie, EarlyView.
We developed potent and selective noncovalent Keap1‐Nrf2 inhibitors through a structure‐guided fragment‐based approach. These nanomolar inhibitors activate Nrf2‐controlled genes, suppress inflammation via NLRP3 and STING pathways, and exhibit distinct transcriptional profiles compared to covalent Nrf2 activators, offering promising chemical probes and ...
Chunyu Lin, Dilip Narayanan, Marilia Barreca, Cecilie Poulsen, Leandro Silva da Costa, Xiangrong Chen, Kendall G. Wichman, Cherisse A. Charley, Jaslin L. Lindsay, Mahya Dezfouli, Dimitra Vlissari, Thomas S. Mortensen, Camilla B. Chan, Jingyi Wang, William Richardson, Charlotte E. Manning, Zhuoyao Chen, Jie Zang, Helena Käck, Michael Gajhede, Alex N. Bullock, David J. Blake, David Olagnier, Anders Bach   +23 more
wiley   +2 more sources

Visualization of covalent intermediates and conformational states of proline utilization A by X-ray crystallography and molecular dynamics simulations. [PDF]

J Biol Chem
Buckley DP, Becker DF, Tanner JJ.
europepmc   +1 more source

Piperazinomycin, a new antifungal antibiotic. II. Structure determination by X-ray crystallography.

, 1982
Miyuki Kaneda, Satoshi Tamai, SHOSHIRO NAKAMURA, Toshifumi Hirata, Yoshihiko Kushi, Takayuki Suga   +5 more
openalex   +2 more sources

Charge coupled device X-ray detectors for macromolecular crystallography [PDF]

, 1995
Sol M. Grüner, Steve Ealick
openalex   +1 more source

IP3-mediated gating mechanism of the IP3 receptor revealed by mutagenesis and X-ray crystallography

Proceedings of the National Academy of Sciences of the United States of America, 2017
K. Hamada, H. Miyatake, A. Terauchi, K. Mikoshiba   +3 more
semanticscholar   +1 more source

The Structure of Nitro‐ and Polynitropyrazoles: X‐Ray Crystallography Versus Theoretical Calculations

Asian Journal of Organic Chemistry, EarlyView.
Abstract This publication presents the geometries of 157 nitro‐ and polynitropyrazoles. Among these, 109 compounds were theoretically studied using mainly the B3LYP/6–311++G(d,p) level of theory. Three‐parameter Lee‐Yang‐Parr (B3LYP) is a density functional theory (DFT) method widely used in computational chemistry and constitutes an acceptable ...
Rosa M. Claramunt, Marta Pérez‐Torralba, José Elguero, Ibon Alkorta   +3 more
wiley   +1 more source

Metastable Macrocyclic Bis‐Meisenheimer Adduct

Angewandte Chemie, EarlyView.
A tetranitroazacalixarene captures cyanide reversibly via SNAr to form a metastable dianionic bis‐Meisenheimer complex. Stabilized by intramolecular hydrogen bonding, the dianionic adduct spontaneously regenerates the parent macrocycle under mild conditions. This dynamic, fuel‐driven process can be finely tuned by the counterion, concentration, solvent,
Simon Pascal, Angélina Torres Ruiz, Aerin E. Baker, Douglas A. Vander Griend, Michel Giorgi, Aurélien Planchat, Denis Jacquemin, Olivier Siri   +7 more
wiley   +2 more sources

Structure Determination by X-Ray Crystallography [PDF]

, 1977
M. F. C. Ladd, R. A. Palmer
openaire   +1 more source