How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling

Carletta, A.; Tilborg, A.; Moineaux, L.; de Ruyck, J.; Basile, L.; Salerno, L.; Romeo, G.; Wouters, J.; Guccione, S.

doi:10.1107/S2052520615010410

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 5
Evolution of energy difference in the relaxed PES scan of T1 (a), T2 (b) and T3 (c) in (1b) and (2aR). The conformations observed in the crystal structures are presented on the graphs by arrows.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 71| Part 4| July 2015| Pages 447-454

doi:10.1107/S2052520615010410

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