Rigid fusions of designed helical repeat binding proteins efficiently protect a binding surface from crystal contacts
Sign Up to like & getrecommendations! Published in 2019 at "Scientific Reports"
DOI: 10.1038/s41598-019-52121-9
Abstract: Designed armadillo repeat proteins (dArmRPs) bind extended peptides in a modular way. The consensus version recognises alternating arginines and lysines, with one dipeptide per repeat. For generating new binding specificities, the rapid and robust analysis… read more here.
Keywords: binding surface; binding proteins; repeat; surface crystal ... See more keywords
Crystal structure determination, Hirshfeld surface, crystal void, intermolecular interaction energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acetic acid
Sign Up to like & getrecommendations! Published in 2022 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989022008489
Abstract: The bicyclic ring system is planar with the carboxymethyl group rotated out of this plane by 81.05 (5)°. In the crystal, corrugated layers are generated by N—H⋯O, O—H⋯N and C—H⋯O hydrogen-bonding interactions. The layers are associated… read more here.
Keywords: structure determination; energy; determination hirshfeld; surface crystal ... See more keywords
Crystal structure determination and analyses of Hirshfeld surface, crystal voids, intermolecular interaction energies and energy frameworks of 1-benzyl-4-(methylsulfanyl)-3a,7a-dihydro-1H-pyrazolo[3,4-d]pyrimidine
Sign Up to like & getrecommendations! Published in 2024 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989024005954
Abstract: In the title molecule, the pyrazolopyrimidine moiety is planar with the methylsulfanyl substituent lying essentially in the same plane, whereas the benzyl group is rotated well out of this plane giving the molecule an approximate… read more here.
Keywords: determination analyses; crystal structure; structure determination; surface crystal ... See more keywords