PDB Information

PDB4LKO
MethodX-RAY DIFFRACTION
Host OrganismKomagataella pastoris
Gene SourceHomo sapiens
Primary Citation
Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
Devasthale, P., Wang, Y., Wang, W., Fevig, J., Feng, J., Wang, A., Harrity, T., Egan, D., Morgan, N., Cap, M., Fura, A., Klei, H.E., Kish, K., Weigelt, C., Sun, L., Levesque, P., Moulin, F., Li, Y.X., Zahler, R., Kirby, M.S., Hamann, L.G.
J.Med.Chem.
HeaderHydrolase
Released2013-07-08
Resolution2.430
CATH Insert Date22 Sep, 2013

PDB Images (7)

PDB Prints

PDB Chains (2)

Chain ID Date inserted into CATH CATH Status
A 23 Sep, 2013 Chopped
B 23 Sep, 2013 Chopped

CATH Domains (4)

Domain ID Date inserted into CATH Superfamily CATH Status
4lkoA01 25 Sep, 2013 3.40.50.1820 Assigned
4lkoA02 25 Sep, 2013 2.140.10.30 Assigned
4lkoB01 25 Sep, 2013 3.40.50.1820 Assigned
4lkoB02 25 Sep, 2013 2.140.10.30 Assigned

UniProtKB Entries (2)

Accession Gene ID Taxon Description
P27487 DPP4_HUMAN Homo sapiens Dipeptidyl peptidase 4
P27487 DPP4_HUMAN Homo sapiens Dipeptidyl peptidase 4