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X-ray crystal structure, UV–Vis and NMR spectroscopic, and molecular docking studies of pyribencarb isomers

Eunyoung Park, Jiho Lee, Jeong-Han Kim, Joon-Kwan Moon • Applied Biological Chemistry (2023)

Abstract The crystal structures of the pyribencarb E and Z stereoisomers were determined using single-crystal X-ray crystallography. The isomers were confirmed a single data respectively by crystal analysis, LC-UVD mass spectrometry, and NM...

DOAJ Open Access (DOAJ) DOI: 10.1186/s13765-023-00770-w

Uranyl Nitrates: By-Products of the Synthetic Experiments or Key Indicators of the Reaction Progress?

Vladislav V. Gurzhiy, Olga S. Tyumentseva, Ilya V. Kornyakov • Crystals (2020)

Six novel uranyl nitrate compounds K3[(UO2)(NO3)Cl3](NO3) (1, 2), α-Cs2[(UO2)(NO3)Cl3] (3), [(UO2)(NO3)2(H2O)2][(CH3NH3)2(NO3)2] (4), Cs2[(UO2)(NO3)4] (5), and [(UO2)2(OH)2(NO3)2(H2O)3](H2O) (6) have been prepared from aqueous solutions. Th...

DOAJ Open Access (DOAJ) DOI: 10.3390/cryst10121122

Phosphopeptide binding to the N-SH2 domain of tyrosine phosphatase SHP2 correlates with the unzipping of its central β-sheet

Michelangelo Marasco, John Kirkpatrick, Teresa Carlomagno, Jochen S. Hub et al. • Computational and Structural Biotechnology Journal (2024)

SHP2 is a tyrosine phosphatase that plays a regulatory role in multiple intracellular signaling cascades and is known to be oncogenic in certain contexts. In the absence of effectors, SHP2 adopts an autoinhibited conformation with its N-SH2...

DOAJ Open Access (DOAJ) DOI: 10.1016/j.csbj.2024.02.023

Raw diffraction data preservation and reuse: overview, update on practicalities and metadata requirements

Loes M. J. Kroon-Batenburg, John R. Helliwell, Brian McMahon, Thomas C. Terwilliger • IUCrJ (2017)

A topical review is presented of the rapidly developing interest in and storage options for the preservation and reuse of raw data within the scientific domain of the IUCr and its Commissions, each of which operates within a great diversity...

DOAJ Open Access (DOAJ) DOI: 10.1107/S2052252516018315

The mining of materials with similar electronic properties from the Crystallographic Open Database (COD)

G Carbajal-Franco, E Rendón-Lara, I M Abundez-Barrera, A Vásquez-Aguilar • Materials Research Express (2020)

The finding of a material with the precise properties needed to solve a specific issue is the first topic that needs unraveling when an application is projected. One approach to find a material with a specific property value is to study a d...

DOAJ Open Access (DOAJ) DOI: 10.1088/2053-1591/ab7b2b