Co-crystallized

Xem 1-4 trên 4 kết quả Co-crystallized

A new cocrystal explosive trinitrotoluene (TNT): 1-amino-4-bromonaphthalene with reduced sensitivity

A 1:1 cocrystal of TNT and 1-amino-4-bromonaphthalene was prepared via solvent evaporation. The structure of the cocrystal was determined via single-crystal and powder X-ray diffraction. Crystal structure determination studies indicated that the main mechanism of cocrystallization originates from the intermolecular hydrogen bonding (amino– nitro), halogen bonding, and π − π stacking. Investigation of intermolecular interactions by Hirshfeld surface and fingerprint plot analysis revealed that the structures were stabilized by H…H, O…H, C…C (π−π) and Br…O interactions.

13p tudichquannguyet 29-11-2021 7 1 Download

Báo cáo Y học: Determinants of the inhibition of a Taiwan habu venom metalloproteinase by its endogenous inhibitors revealed by X-ray crystallography and synthetic inhibitor analogues

Venoms from crotalid and viperid snakes contain several peptide inhibitors which regulate the proteolytic activities of their snake-venom metalloproteinases (SVMPs) in a reversible manner under physiological conditions. In this report, we describe the high-resolution crystal structures of a SVMP, TM-3, from Taiwan habu (Trimeresurus mucrosquamatus) cocrystallized with the endogenous inhibitors pyroGlu-Asn-Trp (pENW), pyroGlu-Gln-Trp (pEQW) or pyroGlu-Lys-Trp (pEKW).

10p system191 01-06-2013 26 3 Download

Báo cáo Y học: Dynamic mechanism of nick recognition by DNA ligase

DNA ligases are the enzymes responsible for the repair of single-strandedanddouble-strandednicks indsDNA.DNA ligases are structurally similar, possibly sharing a common molecular mechanism of nick recognition and ligation catalysis. This mechanism remains unclear, in part because the structure of ligase in complex with dsDNAhas yet to be solved.DNA ligases share common structural elementswith DNA polymerases, which have been cocrystallized with dsDNA. Based on the observed DNA polymerase–dsDNA interactions, we propose a mechanism for recognition of a single-stranded nick by DNA ligase....

7p tumor12 22-04-2013 37 1 Download
Báo cáo khoa học: ˚ Crystal structure at 3 A of mistletoe lectin I, a dimeric type-II ribosome-inactivating protein, complexed with galactose

The X-ray structure of mistletoe lectin I (MLI), a type-II ribosome-inactivatingprotein (RIP), cocrystallized with galactose is described. The model was refined at 3.0 A ˚ resolution to an R-factor of 19.9% using21 899 reflections, with Rfree 24.0%. MLI forms a homodimer (A–B)2in the crystal, as it does in solution at high concentration. The dimer is formed through contacts between the N-terminal domains of two B-chains involvingweak polar and non-polar interactions.

11p fptmusic 16-04-2013 39 2 Download