Fig. 4

Crystal structures derived from improved lattice reveal molecular features associated with enhanced neutralization potency. a The complex structure of BMS-818251 with BG505 SOSIP.664 Env trimer is shown in the top panel on the left with interacting residues on the β20−β21 hairpin (green segment) shown as sticks and labeled; interacting residues other than those on the β20−β21 hairpin are shown as sticks and labeled in the lower left panel. BMS-818251 is shown as orange sticks. Middle, BMS-818251 interaction with BG505 SOSIP.664 Env trimer is shown as a 2D plot, with residues belonging to the three major fragments colored accordingly. Top right, the chemical formula of BMS-818251; bottom right, 2Fo-Fc electron density map surrounding the inhibitor binding pocket is shown as blue mesh, contoured at 2σ. b Crystal structure (left), 2D plot (middle) and electron density map (bottom right) of BMS-814508 (top right) shows the interaction between the inhibitor and BG505 SOSIP.664 Env trimers