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Figure 1 | European Journal of Medical Research

Figure 1

From: α5β1 integrins in hepatocytes act as receptors for bile acids with a (nor)ursodeoxycholane scaffold

Figure 1

(A) Scaffold and R-groups of the investigated bile acid derivatives. (B) Overlay of the starting structure of MD simulations of α5β1-integrin bound to TUDC (transparent) and the structure closest to the average as determined over the trajectory of 200 ns length (solid). For clarity, only the βA domain of α5β1-integrin is shown together with three Mg2+ ions (red spheres); TUDC was omitted. Three regions of characteristic conformational changes in the βA domain are visible: I) straightening of helix α1 (orange); II) T-junction formation between helices α1 and α7; III) tilting of helix α7 (blue).

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