A crystallographic fragment screen identifies cinnamic acid derivatives as starting points for potent Pim-1 inhibitors

Schulz, M.N.; Fanghänel, J.; Schäfer, M.; Badock, V.; Briem, H.; Boemer, U.; Nguyen, D.; Husemann, M.; Hillig, R.C.

doi:10.1107/S0907444910054144

Acta Crystallographica Section D
Acta Crystallographica
Section D BIOLOGICAL CRYSTALLOGRAPHY

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Figure 4
Detailed presentation of the binding mode of compound 1. Pim-1 is shown in blue and the C atoms of the ligand are depicted in green. The ligand and selected protein residues are shown in stick representation and hydrogen bonds are depicted as dotted lines. (a) The hydrogen-bonding network coordinating the carboxyl head group of the cinnamic acid moiety. (b) Interactions between the outer amino group of the ligand and Pim-1. (c) Interactions between the hinge region and the ligand.

BIOLOGICAL
CRYSTALLOGRAPHY

ISSN: 1399-0047

Volume 67| Part 3| February 2011| Pages 156-166

doi:10.1107/S0907444910054144

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