Target family proteins, clustering

Predominantly, the book covers systematic elaborations on pharmaceutically relevant target families with clear focus centred around systematic medicinal chemistry access routes towards the distinct members of those target clusters. Contributions by R. Buijsman and B. Klebl and colleagues provide detailed insights into the world of protein kinase inhibitors. While R. Buij sman systematically focuses on the detailed structural requirements of protein kinase binding sites that... 

Naumann and Matter used a set of 26 X-ray structures of eukaryotic protein kinases, which were classified into subfamilies with similar protein-ligand interactions in the ATP binding site. As can be seen in Fig. 3.13, which shows the GPGA score plot, PC 1 separates CDK and MAP/receptor kinases on the left from the family of PKA kinases. The CDK family is represented by two distinct clusters in the target family landscape, formed by two different ATP binding site conformations. They correspond to the activated and inactivated kinase conformations... 

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