scholarly journals Binuclear and tetranuclear Zn(ii) complexes with thiosemicarbazones: synthesis, X-ray crystal structures, ATP-sensing, DNA-binding, phosphatase activity and theoretical calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (22) ◽  
pp. 12735-12746 ◽  
Author(s):  
Piyali Adak ◽  
Bipinbihari Ghosh ◽  
Antonio Bauzá ◽  
Antonio Frontera ◽  
Steven R. Herron ◽  
...  
Keyword(s):  
Dna Binding ◽  
Crystal Structures ◽  
Phosphatase Activity ◽  
Theoretical Calculations ◽  
Phosphatase Activities ◽  
X Ray ◽  
Atp Sensing

A binuclear and a tetranuclear zinc(ii) of pyruvaldehyde thiosemicarbazone show selective sensing of ATP at pH 7.4 (0.01 M HEPES) in CH3CN–H2O (9 : 1) medium. The DNA binding and phosphatase activities of the complexes are also reported.

scholarly journals Rgg protein structure–function and inhibition by cyclic peptide compounds

2015 ◽  
Vol 112 (16) ◽  
pp. 5177-5182 ◽  
Author(s):  
Vijay Parashar ◽  
Chaitanya Aggarwal ◽  
Michael J. Federle ◽  
Matthew B. Neiditch
Keyword(s):  
Dna Binding ◽  
Structure Function ◽  
Cyclosporin A ◽  
Crystal Structures ◽  
Disulfide Bond ◽  
Binding Domain ◽  
Dna Binding Domain ◽  
X Ray ◽  
Peptide Pheromone ◽  
Dimerization Interface

Peptide pheromone cell–cell signaling (quorum sensing) regulates the expression of diverse developmental phenotypes (including virulence) in Firmicutes, which includes common human pathogens, e.g.,Streptococcus pyogenesandStreptococcus pneumoniae. Cytoplasmic transcription factors known as “Rgg proteins” are peptide pheromone receptors ubiquitous in Firmicutes. Here we present X-ray crystal structures of aStreptococcusRgg protein alone and in complex with a tight-binding signaling antagonist, the cyclic undecapeptide cyclosporin A. To our knowledge, these represent the first Rgg protein X-ray crystal structures. Based on the results of extensive structure–function analysis, we reveal the peptide pheromone-binding site and the mechanism by which cyclosporin A inhibits activation of the peptide pheromone receptor. Guided by the Rgg–cyclosporin A complex structure, we predicted that the nonimmunosuppressive cyclosporin A analog valspodar would inhibit Rgg activation. Indeed, we found that, like cyclosporin A, valspodar inhibits peptide pheromone activation of conserved Rgg proteins in medically relevantStreptococcusspecies. Finally, the crystal structures presented here revealed that the Rgg protein DNA-binding domains are covalently linked across their dimerization interface by a disulfide bond formed by a highly conserved cysteine. The DNA-binding domain dimerization interface observed in our structures is essentially identical to the interfaces previously described for other members of the XRE DNA-binding domain family, but the presence of an intermolecular disulfide bond buried in this interface appears to be unique. We hypothesize that this disulfide bond may, under the right conditions, affect Rgg monomer–dimer equilibrium, stabilize Rgg conformation, or serve as a redox-sensitive switch.

scholarly journals The forces between atoms and ions.―II

1926 ◽  
Vol 112 (760) ◽  
pp. 230-234 ◽  
Keyword(s):  
Crystal Structures ◽  
Theoretical Calculations ◽  
Force Constants ◽  
Inert Gases ◽  
Inert Gas ◽  
Published Data ◽  
Divalent Ions ◽  
X Ray

1. This note is supplementary to a paper recently published on the same subject. It extends the results so as to provide a complete table of forces between the monovalent and divalent ions of the inert gas type as well as between the inert gases themselves. The method follows that of the previous paper, in which the forces between ions are deduced from the forces between inert gas atoms by the use of published data on ionic refractivities. The table of force constants, which is given, should have numerous applications in theoretical calculations of crystal structures. It should, for instance, be useful in determining parameters in crystal structures, which are difficult to determine from X-ray measurements.

scholarly journals Heteroleptic Amidinate Complexes of Heavy Group 15 Elements - Synthesis, X-ray Crystal Structures and Theoretical Calculations

2009 ◽  
Vol 2009 (15) ◽  
pp. 2247-2253 ◽  
Author(s):  
Benjamin Lyhs ◽  
Stephan Schulz ◽  
Ulrich Westphal ◽  
Dieter Bläser ◽  
Roland Boese ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Theoretical Calculations ◽  
X Ray ◽  
Group 15 ◽  
Heavy Group

scholarly journals Single crystal structures and theoretical calculations of uranium endohedral metallofullerenes (U@C2n, 2n = 74, 82) show cage isomer dependent oxidation states for U

2017 ◽  
Vol 8 (8) ◽  
pp. 5282-5290 ◽  
Author(s):  
Wenting Cai ◽  
Roser Morales-Martínez ◽  
Xingxing Zhang ◽  
Daniel Najera ◽  
Elkin L. Romero ◽  
...  
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Oxidation State ◽  
Theoretical Calculations ◽  
State Dependence ◽  
Oxidation States ◽  
Metal Oxidation ◽  
X Ray ◽  
Endohedral Metallofullerenes ◽  
Single Crystal Structures

First X-ray structures and metal oxidation state dependence on cage isomerism for U-EMFs.

Syntheses, X-ray crystal structures, DNA binding, oxidative cleavage activities and antimicrobial studies of two Cu(II) hydrazone complexes

Polyhedron ◽  
2009 ◽  
Vol 28 (13) ◽  
pp. 2785-2793 ◽  
Author(s):  
Sambuddha Banerjee ◽  
Susmita Mondal ◽  
Writachit Chakraborty ◽  
Soma Sen ◽  
Ratan Gachhui ◽  
...  
Keyword(s):  
Dna Binding ◽  
Crystal Structures ◽  
Oxidative Cleavage ◽  
X Ray ◽  
Antimicrobial Studies ◽  
Hydrazone Complexes

Ruthenium(II/III) complexes of redox non-innocent bis(thiosemicarbazone) ligands: Synthesis, X-ray crystal structures, electrochemical, DNA binding and DFT studies

Polyhedron ◽  
2017 ◽  
Vol 131 ◽  
pp. 74-85 ◽  
Author(s):  
Bipinbihari Ghosh ◽  
Piyali Adak ◽  
Subhendu Naskar ◽  
Bholanath Pakhira ◽  
Partha Mitra ◽  
...  
Keyword(s):  
Dna Binding ◽  
Crystal Structures ◽  
Dft Studies ◽  
X Ray

Synthesis, X-ray Crystal Structures, DNA Binding and Nuclease Activities of Two Novel 1,2,4-Triazole-Based CuIIComplexes

2009 ◽  
Vol 2009 (33) ◽  
pp. 5036-5045 ◽  
Author(s):  
Dong-Dong Li ◽  
Jin-Lei Tian ◽  
Wen Gu ◽  
Xin Liu ◽  
Shi-Ping Yan
Keyword(s):  
Dna Binding ◽  
Crystal Structures ◽  
X Ray
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