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. 2015 Dec 22;7(3):2322–2330. doi: 10.1039/c5sc03115j

Fig. 5. PHIP(2) (green sticks, ribbons and mesh (2Fo-Fc)) in complex with fragment hits. (A) Thiourea 1 (cyan sticks and mesh (2Fo-Fc)) displaces waters I. (B) N-Benzylacetamide 2 (purple sticks and mesh (2Fo-Fc)) binds with all water molecules intact and forms an edge–face interaction with Y1350. (C) Oxazole 3 (cyan sticks and mesh (2Fo-Fc)) forms H-bonds to PW (black dashed line). PHIP(2) orientation has been changed for clarity. (D) Overlay of compounds 1–3 in PHIP(2). In (C) and (D) water II is hidden behind water I.

Fig. 5