PDB Information

PDB4DI2
MethodX-RAY DIFFRACTION
Host OrganismEscherichia coli
Gene SourceHomo sapiens
Primary Citation
Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors.
Dineen, T.A., Weiss, M.M., Williamson, T., Acton, P., Babu-Khan, S., Bartberger, M.D., Brown, J., Chen, K., Cheng, Y., Citron, M., Croghan, M.D., Dunn, R.T., Esmay, J., Graceffa, R.F., Harried, S.S., Hickman, D., Hitchcock, S.A., Horne, D.B., Huang, H., Imbeah-Ampiah, R., Judd, T., Kaller, M.R., Kreiman, C.R., La, D.S., Li, V., Lopez, P., Louie, S., Monenschein, H., Nguyen, T.T., Pennington, L.D., San Miguel, T., Sickmier, E.A., Vargas, H.M., Wahl, R.C., Wen, P.H., Whittington, D.A., Wood, S., Xue, Q., Yang, B.H., Patel, V.F., Zhong, W.
J.Med.Chem.
HeaderHydrolase/Hydrolase Inhibitor
Released2012-01-30
Resolution2.000
CATH Insert Date04 Nov, 2012

PDB Images (10)

PDB Prints

PDB Chains (3)

Chain ID Date inserted into CATH CATH Status
A 05 Nov, 2012 Chopped
B 05 Nov, 2012 Chopped
C 05 Nov, 2012 Chopped

CATH Domains (6)

Domain ID Date inserted into CATH Superfamily CATH Status
4di2A01 10 Nov, 2012 2.40.70.10 Assigned
4di2A02 10 Nov, 2012 2.40.70.10 Assigned
4di2B01 10 Nov, 2012 2.40.70.10 Assigned
4di2B02 10 Nov, 2012 2.40.70.10 Assigned
4di2C01 10 Nov, 2012 2.40.70.10 Assigned
4di2C02 10 Nov, 2012 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