scholarly journals Crystal structure of glutamine receptor protein from Sulfolobus tokodaii strain 7 in complex with its effector l -glutamine: implications of effector binding in molecular association and DNA binding

2008 ◽  
Vol 36 (14) ◽  
pp. 4808-4820 ◽  
Author(s):  
Thirumananseri Kumarevel ◽  
Noboru Nakano ◽  
Karthe Ponnuraj ◽  
Subash C. B. Gopinath ◽  
Keiko Sakamoto ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dna Binding ◽  
Molecular Association ◽  
Receptor Protein ◽  
Sulfolobus Tokodaii ◽  
Effector Binding

scholarly journals Combined Use of Structure Analysis, Studies of Molecular Association in Solution, and Molecular Modelling to Understand the Different Propensities of Dihydroxybenzoic Acids to Form Solid Phases

Pharmaceutics ◽  
2021 ◽  
Vol 13 (5) ◽  
pp. 734
Author(s):  
Aija Trimdale ◽  
Anatoly Mishnev ◽  
Agris Bērziņš
Keyword(s):  
Crystal Structure ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Molecular Association ◽  
Hydroxyl Groups ◽  
Solid Phases ◽  
Solvent Molecules ◽  
Dynamics Simulations

The arrangement of hydroxyl groups in the benzene ring has a significant effect on the propensity of dihydroxybenzoic acids (diOHBAs) to form different solid phases when crystallized from solution. All six diOHBAs were categorized into distinctive groups according to the solid phases obtained when crystallized from selected solvents. A combined study using crystal structure and molecule electrostatic potential surface analysis, as well as an exploration of molecular association in solution using spectroscopic methods and molecular dynamics simulations were used to determine the possible mechanism of how the location of the phenolic hydroxyl groups affect the diversity of solid phases formed by the diOHBAs. The crystal structure analysis showed that classical carboxylic acid homodimers and ring-like hydrogen bond motifs consisting of six diOHBA molecules are prominently present in almost all analyzed crystal structures. Both experimental spectroscopic investigations and molecular dynamics simulations indicated that the extent of intramolecular bonding between carboxyl and hydroxyl groups in solution has the most significant impact on the solid phases formed by the diOHBAs. Additionally, the extent of hydrogen bonding with solvent molecules and the mean lifetime of solute–solvent associates formed by diOHBAs and 2-propanol were also investigated.

Crystal Structure of Archaeal Photolyase from Sulfolobus tokodaii with Two FAD Molecules: Implication of a Novel Light-harvesting Cofactor

2007 ◽  
Vol 365 (4) ◽  
pp. 903-910 ◽  
Author(s):  
Masahiro Fujihashi ◽  
Nobutaka Numoto ◽  
Yukiko Kobayashi ◽  
Akira Mizushima ◽  
Masanari Tsujimura ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Light Harvesting ◽  
Sulfolobus Tokodaii

Synthesis, crystal structure and DNA binding of a new Ni(II) coordination compound based on 4-(1-naphthylvinyl)pyridine ligand

Polyhedron ◽  
2020 ◽  
Vol 190 ◽  
pp. 114777
Author(s):  
Akhtaruzzaman ◽  
Samim Khan ◽  
Asma A. Alothman ◽  
Basudeb Dutta ◽  
Saikh Mohammad Wabaidur ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dna Binding ◽  
Coordination Compound ◽  
Pyridine Ligand

Crystal Structure of Apo MEF2B Reveals New Insights in DNA Binding and Cofactor Interaction

Biochemistry ◽  
2018 ◽  
Vol 57 (28) ◽  
pp. 4047-4051 ◽  
Author(s):  
Xiao Lei ◽  
Haoran Shi ◽  
Yi Kou ◽  
Niroop Rajashekar ◽  
Fang Wu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dna Binding
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