Protein conformational transitions coupled to binding in molecular recognition of unstructured proteins: Deciphering the effect of intermolecular interactions on computational structure prediction of the p27Kip1 protein bound to the cyclin A-cyclin-depend

2004 ◽  
Vol 58 (3) ◽  
pp. 706-716 ◽  
Author(s):  
Gennady M. Verkhivker
Keyword(s):  
Molecular Recognition ◽  
Intermolecular Interactions ◽  
Structure Prediction ◽  
Cyclin A ◽  
Conformational Transitions ◽  
P27kip1 Protein ◽  
Computational Structure ◽  
Unstructured Proteins

Computational structure determination of novel metal–organic frameworks

2018 ◽  
Vol 54 (77) ◽  
pp. 10812-10815 ◽  
Author(s):  
Mohammad Wahiduzzaman ◽  
Sujing Wang ◽  
Benjamin J. Sikora ◽  
Christian Serre ◽  
Guillaume Maurin
Keyword(s):  
Structure Determination ◽  
Structure Prediction ◽  
Metal Organic Frameworks ◽  
Prediction Tool ◽  
Computational Structure ◽  
Metal Organic

A structure prediction tool has been developed to guide the discovery of MOF materials.

Molecular characterization and computational structure prediction of activin receptor type IIB in aseel and broiler chicken

2019 ◽  
Vol 126 ◽  
pp. 139-149
Author(s):  
P. Guru Vishnu ◽  
T.K. Bhattacharya ◽  
Bharat Bhushan ◽  
Pushpendra Kumar ◽  
R.N. Chatterjee ◽  
...  
Keyword(s):  
Molecular Characterization ◽  
Structure Prediction ◽  
Broiler Chicken ◽  
Receptor Type ◽  
Activin Receptor ◽  
Computational Structure

scholarly journals Efficient Screening for Ternary Molecular Ionic Cocrystals Using a Complementary Mechanosynthesis and Computational Structure Prediction Approach

2020 ◽  
Vol 26 (21) ◽  
pp. 4752-4765 ◽  
Author(s):  
Abeer F. Shunnar ◽  
Bhausaheb Dhokale ◽  
Durga Prasad Karothu ◽  
David H. Bowskill ◽  
Isaac J. Sugden ◽  
...  
Keyword(s):  
Structure Prediction ◽  
Computational Structure ◽  
Prediction Approach ◽  
Efficient Screening

scholarly journals Complex Regulation of CDK2 During Phorbol Ester-Induced Hematopoietic Differentiation

Blood ◽  
1997 ◽  
Vol 90 (9) ◽  
pp. 3430-3437 ◽  
Author(s):  
Clement Asiedu ◽  
Joseph Biggs ◽  
Andrew S. Kraft
Keyword(s):  
Cyclin E ◽  
Cyclin A ◽  
Leukemic Cells ◽  
G1 Arrest ◽  
Mrna Levels ◽  
Induced Differentiation ◽  
P27kip1 Protein ◽  
Protein Levels ◽  
Cdk2 Activity ◽  
Human Leukemic Cells

Abstract Phorbol myristate acetate (PMA) treatment of U937 human leukemic cells results in late G1 cell cycle arrest and terminal monocyte/macrophage-like differentiation. The PMA-induced G1 arrest involves a marked decrease in cdk2 activity, which correlates with total cdk2 dephosphorylation. Here, we show that the levels of cyclin A mRNA and protein markedly decrease during PMA-induced differentiation of U937 cells. In contrast, the level of cyclin E protein remains unchanged and in a complex with cdk2 during the entire course of PMA treatment. During the PMA-induced differentiation, cyclin E-associated cdk2 activity drops markedly. Furthermore, the amount of p27Kip1 protein associated with cyclin E/cdk2 greatly increases 24 to 72 hours after PMA treatment. The absence of changes in p27Kip1 mRNA levels by Northern blot suggest that the levels of this protein are controlled by posttranscriptional or posttranslational mechanism(s). These results show that the mechanisms mediating PMA-induced G1 arrest are complex. The inhibition of cdk2 activity is associated with (1) a decrease in cyclin A protein levels, (2) inactivation of cdk2 complexes, and (3) upregulation of p27Kip1 protein.

Weak Intermolecular Interactions and Molecular Recognition:  Structure and Dynamics of the Benzene and Pyridinep-tert-Butylcalix[4]arene Inclusions†

1999 ◽  
Vol 103 (48) ◽  
pp. 10604-10616 ◽  
Author(s):  
Eric B. Brouwer ◽  
Gary D. Enright ◽  
Christopher I. Ratcliffe ◽  
Glenn A. Facey ◽  
John A. Ripmeester
Keyword(s):  
Molecular Recognition ◽  
Intermolecular Interactions ◽  
Structure And Dynamics ◽  
Weak Intermolecular Interactions
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