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![[Figure 5]](ba5248fig5mag.jpg)
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Figure 5
An OOMMPPAA view of available 3D MMP activity data for BRD4. The ligand (I-BET151) bound to BRD4 (PDB entry 3zyu) is shown as thick cream sticks and the protein as white sticks and ribbon. Each matched molecular pair is shown as a sphere coloured by the activity change associated with it from blue (low) to red (high) and positioned at the centre of mass of the nonmatching moiety of the 3D MMP. In the red box, the isoxazole motif key for binding is highlighted. In the black circle several red spheres (high activity changes) are around a putatively important methyl group. Transformations corresponding to these spheres (not shown) indicate several transformations from a methyl fragment to other substituents, all of which cause a drop in activity. One of these transformations (inset) shows a large activity change. |
![[Figure 5]](ba5248fig5.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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