Computational Insights into Substrate and Site Specificities, Catalytic Mechanism, and Protonation States of the Catalytic Asp Dyad of β-Secretase

Table 1

Ligands with chemical structure and PDB ID of cocrystal structure of BACE1.

Ligands	Chemical structures	PDB ID
L1 (HE)		2P4J
L2 (AE)		2FDP
L3 (TC)		2IS0
L4 (CA)		2QMF
L5 (RA)		2QZL
L6 (AK)		2WF4
L7 (ABP)		2ZJM
L8 (AP)		3HVG