3OC0

Structure of human DPP-IV with HTS hit (2S,3S,11bS)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine

Replaces:  3KWH

Summary for 3OC0

• Entry DOI: 10.2210/pdb3oc0/pdb
• Related: 3KWF 3KWH 3KWJ
• Descriptor: Dipeptidyl peptidase 4, 2-acetamido-2-deoxy-beta-D-glucopyranose, (2S,3R,11bR)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine, ... (4 entities in total)
• Functional Keywords: diabetes type ii, aminopeptidase, cell membrane, disulfide bond, glycoprotein, hydrolase, membrane, protease, secreted, serine protease, signal-anchor, transmembrane
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 171331.81

Authors

Hennig, M.,Stihle, M.,Thoma, R. (deposition date: 2010-08-09, release date: 2010-08-25, Last modification date: 2020-07-29)

• Primary citation: Mattei, P.,Boehringer, M.,Di Giorgio, P.,Fischer, H.,Hennig, M.,Huwyler, J.,Kocer, B.,Kuhn, B.,Loeffler, B.M.,Macdonald, A.,Narquizian, R.,Rauber, E.,Sebokova, E.,Sprecher, U.; Discovery of carmegliptin: A potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.; Bioorg.Med.Chem.Lett., 20:1109-1113, 2010; PubMed: 20031405; DOI: 10.1016/j.bmcl.2009.12.024

Experimental method

X-RAY DIFFRACTION (2.7 Å)