scholarly journals Prediction of Three Dimensional Model and Active Site Analysis of Inducible Serine Protease Inhibitor -2 (ISPI -2) in Galleria Mellonella

2008 ◽  
Vol 01 (01) ◽  
Author(s):  
Karthick RN
Keyword(s):  
Protease Inhibitor ◽  
Serine Protease ◽  
Active Site ◽  
Galleria Mellonella ◽  
Three Dimensional ◽  
Serine Protease Inhibitor ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
Site Analysis

Three-dimensional model and molecular dynamics simulation of the active site of the self-splicing intervening sequence of the bacteriophage T4 nrdB messenger RNA

Biochemistry ◽  
1990 ◽  
Vol 29 (45) ◽  
pp. 10317-10322 ◽  
Author(s):  
Lennart Nilsson ◽  
Agneta Aahgren-Staalhandske ◽  
Ann Sofie Sjoegren ◽  
Solveig Hahne ◽  
Britt Marie Sjoeberg
Keyword(s):  
Molecular Dynamics ◽  
Active Site ◽  
Messenger Rna ◽  
Bacteriophage T4 ◽  
Three Dimensional ◽  
The Self ◽  
Dynamics Simulation ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
Self Splicing

NMR three-dimensional solution structure of the serine protease inhibitor cyclotheonamide A

Biopolymers ◽  
1997 ◽  
Vol 41 (3) ◽  
pp. 349-358 ◽  
Author(s):  
Patricia A. McDonnell ◽  
Gary W. Caldwell ◽  
Gregory C. Leo ◽  
Brent L. Podlogar ◽  
Bruce E. Maryanoff
Keyword(s):  
Protease Inhibitor ◽  
Serine Protease ◽  
Solution Structure ◽  
Three Dimensional ◽  
Serine Protease Inhibitor ◽  
Dimensional Solution

scholarly journals Three-Dimensional Model of Lanosterol 14α-Demethylase from Cryptococcus neoformans: Active-Site Characterization and Insights into Azole Binding

2009 ◽  
Vol 53 (8) ◽  
pp. 3487-3495 ◽  
Author(s):  
Chunquan Sheng ◽  
Zhenyuan Miao ◽  
Haitao Ji ◽  
Jianzhong Yao ◽  
Wenya Wang ◽  
...  
Keyword(s):  
Cryptococcus Neoformans ◽  
Active Site ◽  
Antifungal Agents ◽  
Fungal Infections ◽  
Three Dimensional ◽  
Rational Drug Design ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
Functional Regions ◽  
Dynamics Simulations

ABSTRACT Cryptococcus neoformans is one of the most important causes of life-threatening fungal infections in immunocompromised patients. Lanosterol 14α-demethylase (CYP51) is the target of azole antifungal agents. This study describes, for the first time, the 3-dimensional model of CYP51 from Cryptococcus neoformans (CnCYP51). The model was further refined by energy minimization and molecular-dynamics simulations. The active site of CnCYP51 was well characterized by multiple-copy simultaneous-search calculations, and four functional regions important for rational drug design were identified. The mode of binding of the natural substrate and azole antifungal agents with CnCYP51 was identified by flexible molecular docking. A G484S substitution mechanism for azole resistance in CnCYP51, which might be important for the conformation of the heme environment, is suggested.

A three-dimensional model of mammalian tyrosinase active site accounting for loss of function mutations

2007 ◽  
Vol 20 (5) ◽  
pp. 394-401 ◽  
Author(s):  
Thorsten Schweikardt ◽  
Concepción Olivares ◽  
Francisco Solano ◽  
Elmar Jaenicke ◽  
José Carlos García-Borrón ◽  
...  
Keyword(s):  
Active Site ◽  
Three Dimensional ◽  
Loss Of Function ◽  
Dimensional Model ◽  
Three Dimensional Model
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