PDB Information

PDB4K8S
MethodX-RAY DIFFRACTION
Host OrganismEscherichia coli
Gene SourceHomo sapiens
Primary Citation
Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.
Pennington, L.D., Whittington, D.A., Bartberger, M.D., Jordan, S.R., Monenschein, H., Nguyen, T.T., Yang, B.H., Xue, Q.M., Vounatsos, F., Wahl, R.C., Chen, K., Wood, S., Citron, M., Patel, V.F., Hitchcock, S.A., Zhong, W.
Bioorg.Med.Chem.Lett.
HeaderHydrolase/Hydrolase Inhibitor
Released2013-04-18
Resolution2.390
CATH Insert Date04 Aug, 2013

PDB Images (10)

PDB Prints

PDB Chains (3)

Chain ID Date inserted into CATH CATH Status
A 05 Aug, 2013 Chopped
B 05 Aug, 2013 Chopped
C 05 Aug, 2013 Chopped

CATH Domains (6)

Domain ID Date inserted into CATH Superfamily CATH Status
4k8sA01 14 Aug, 2013 2.40.70.10 Assigned
4k8sA02 14 Aug, 2013 2.40.70.10 Assigned
4k8sB01 14 Aug, 2013 2.40.70.10 Assigned
4k8sB02 14 Aug, 2013 2.40.70.10 Assigned
4k8sC01 14 Aug, 2013 2.40.70.10 Assigned
4k8sC02 14 Aug, 2013 2.40.70.10 Assigned

UniProtKB Entries (3)

Accession Gene ID Taxon Description
P56817 BACE1_HUMAN Homo sapiens Beta-secretase 1
P56817 BACE1_HUMAN Homo sapiens Beta-secretase 1
P56817 BACE1_HUMAN Homo sapiens Beta-secretase 1