Histone-modifying enzyme

AB INITIO QUANTUM MECHANICAL/MOLECULAR MECHANICAL STUDIES OF HISTONE MODIFYING ENZYMES... 

In our simulations of histone modifying enzymes, the computational approaches centered on the pseudobond ab initio quantum mechanical/molecular mechanical (QM/MM) approach. This approach consists of three major components [20,26-29] a pseudobond method for the treatment of the QM/MM boundary across covalent bonds, an efficient iterative optimization procedure which allows for the use of the ab initio QM/MM method to determine the reaction paths with a realistic enzyme environment, and a free energy perturbation method to take account... 

Biel M, Wascholowski V, Giannis A (2005) Epigenetics - an epicenter of gene regulation histones and histone-modifying enzymes. Angew Chem-Int Edit 44 3186-3216... 

Zhang K, Dent SY (2005) Histone modifying enzymes and cancer Going beyond histones. J Cell Biochem 96 1137-1148... 

Transcriptional repression by DNA methylation is achieved by various modes of action. In one such mechanism, DNA methylation simply inhibits the binding of a transcription factor [17[. By a more complex means of action, a number of DNA methyl-binding proteins potentiate transcriptional silencing. In some cases, binding is accompanied by the action of an associated histone-modifying enzyme. 

Hodawadekar, S.C. and Marmorstein, R. (2007) Chemistry of acetyl transfer by histone modifying enzymes structure, mechanism and implications for effector design. Oncogene, 26 (37), 5528-5540. 

General Principles of Screening for Histone-Modifying Enzymes... 

Table 5.1 Overview over assays for histone modifying enzymes. 

Cole PA (2008) Chemical probes for histone-modifying enzymes. Nat Chem Biol 4 590-597... 

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