Enzyme Research

Research in the area of enzyme research reported from Y.B. Shan and colleagues

Published in Drug Week, March 13th, 2009

"In many protein kinases, a characteristic conformational change ( the ''DFG flip'') connects catalytically active and inactive conformations. Many kinase inhibitors-including the cancer drug imatinib-selectively target a specific DFG conformation, but the function and mechanism of the flip remain unclear," researchers in the United States report.

"Using long molecular dynamics simulations of the Abl kinase, we visualized the DFG flip in atomic-level detail and formulated an energetic model predicting that protonation of the DFG aspartate controls the flip. Consistent with our model's predictions, we demonstrated experimentally that the kinetics of imatinib binding to...

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Source: Drug Week (2009-03-13)

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