Two crystal forms of ModE, the molybdate-dependent transcriptional regulator from Escherichia coli

1999 ◽  
Vol 55 (2) ◽  
pp. 542-543 ◽  
Author(s):  
D. R. Hall ◽  
D. G. Gourley ◽  
E. M. H. Duke ◽  
G. A. Leonard ◽  
L. A. Anderson ◽  
...  
Keyword(s):  
Escherichia Coli ◽  
Structural Analysis ◽  
Biochemical Characterization ◽  
Regulatory Protein ◽  
Transcriptional Regulator ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Crystal Forms ◽  
Structure Activity ◽  
Medium Resolution

The molybdenum-responsive ModE regulatory protein from Escherichia coli has been purified and used in crystallization trials. Two crystal forms have been observed. Form I is tetragonal, P41212 (or enantiomorph), with a = b = 72.3, c = 246.2 Å and diffracts to medium resolution. Form II is orthorhombic, P21212, with a = 82.8, b = 127.9, c = 64.0 Å and diffraction has been observed beyond 2.8 Å resolution. Structural analysis, in combination with ongoing biochemical characterization, will assist the elucidation of the structure–activity relationship in regulating the uptake of molybdate in bacteria.

scholarly journals Structure-activity relationship and design of an antimutagen against the UV-induced mutation of Escherichia coli.

1986 ◽  
Vol 50 (3) ◽  
pp. 625-631 ◽  
Author(s):  
Katsumi KAKINUMA ◽  
Junpei KOIKE ◽  
Keiji ISHIBASHI ◽  
Wataru TAKAHASHI ◽  
Hisashi TAKEI
Keyword(s):  
Escherichia Coli ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Induced Mutation ◽  
Structure Activity

Compound toxicity screening and structure-activity relationship modeling in Escherichia coli

2011 ◽  
Vol 109 (3) ◽  
pp. 846-850 ◽  
Author(s):  
Anne-Gaëlle Planson ◽  
Pablo Carbonell ◽  
Elodie Paillard ◽  
Nicolas Pollet ◽  
Jean-Loup Faulon
Keyword(s):  
Escherichia Coli ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Toxicity Screening ◽  
Structure Activity

A study of the structure-activity relationship for diazaborine inhibition of Escherichia coli enoyl-ACP reductase

2001 ◽  
Vol 309 (1) ◽  
pp. 171-180 ◽  
Author(s):  
Colin W Levy ◽  
Clair Baldock ◽  
Alistair J Wallace ◽  
Sveta Sedelnikova ◽  
Russell C Viner ◽  
...  
Keyword(s):  
Escherichia Coli ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Enoyl Acp Reductase

scholarly journals Topological index Nclass as a factor determining the antibacterial activity of quinolones against Escherichia coli

2019 ◽  
Vol 11 (17) ◽  
pp. 2255-2262 ◽  
Author(s):  
Beatriz Suay-García ◽  
Pedro Alemán-López ◽  
José I Bueso-Bordils ◽  
Antonio Falcó ◽  
María T Pérez-Gracia ◽  
...  
Keyword(s):  
Escherichia Coli ◽  
Topological Index ◽  
Molecular Size ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Linear Discriminant ◽  
Structure Activity ◽  
New Antibiotics

Aim: Due to antibiotic resistance and the lack of investment in antimicrobial R&D, quantitative structure–activity relationship (SAR) methods appear as an ideal approach for the discovery of new antibiotics. Result & methodology: Molecular topology and linear discriminant analysis were used to construct a model to predict activity against Escherichia coli. This model establishes new SARs, of which, molecular size and complexity ( Nclass), stand out for their discriminant power. This model was used for the virtual screening of the Index Merck database, with results showing a high success rate as well as a moderate restriction. Conclusion: The model efficiently finds new active compounds. The topological index Nclass can act as a filter in other quantitative structure–activity relationship models predicting activity against E. coli.

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