PDB Information

PDB4H3J
MethodX-RAY DIFFRACTION
Host OrganismEscherichia coli
Gene SourceHomo sapiens
Primary Citation
Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
Mandal, M., Zhu, Z., Cumming, J.N., Liu, X., Strickland, C., Mazzola, R.D., Caldwell, J.P., Leach, P., Grzelak, M., Hyde, L., Zhang, Q., Terracina, G., Zhang, L., Chen, X., Kuvelkar, R., Kennedy, M.E., Favreau, L., Cox, K., Orth, P., Buevich, A., Voigt, J., Wang, H., Kazakevich, I., McKittrick, B.A., Greenlee, W., Parker, E.M., Stamford, A.W.
J.Med.Chem.
HeaderHydrolase/Hydrolase Inhibitor
Released2012-09-13
Resolution1.600
CATH Insert Date04 Nov, 2012

PDB Images (7)

PDB Prints

PDB Chains (2)

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

CATH Domains (4)

Domain ID Date inserted into CATH Superfamily CATH Status
4h3jA01 11 Nov, 2012 2.40.70.10 Assigned
4h3jA02 11 Nov, 2012 2.40.70.10 Assigned
4h3jB01 11 Nov, 2012 2.40.70.10 Assigned
4h3jB02 11 Nov, 2012 2.40.70.10 Assigned

UniProtKB Entries (2)

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