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. 2023 Mar 1;14:1164. doi: 10.1038/s41467-023-36732-5

Fig. 4. Alternate conformations found by EMERALD in cases without crystal structures.

Fig. 4

a, b The deposited structure (a) and EMERALD docked model (b) of Ampicillin bound to Mtr pump (EMDB: 21228, PDB: 6VKS, local resolution: 3.84 Å). c, d The deposited structure (c) and EMERALD docked model (d) of PIP2 bound to the TRMP8 ion channel (EMDB: 0487, PDB: 6NR2, local resolution: 4.07 Å). e, f The deposited model (e) and EMERALD model (f) of an ATP analog in flippase ATP11C (EMDB: 30163, PDB: 7BSP, local resolution: 4.06 Å). g, h The deposited model (g) and EMERALD model (h) of GO52 bound to the CD4-HIV-1 Env SOSIP complex (EMDB: 22049, PDB: 6X5C, local resolution: 4.11 Å).