3KWF

human DPP-IV with carmegliptin (S)-1-((2S,3S,11bS)-2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one

Summary for 3KWF

• Entry DOI: 10.2210/pdb3kwf/pdb
• Related: 1NU6 1NU8 3KWH
• Descriptor: Dipeptidyl peptidase 4, 2-acetamido-2-deoxy-beta-D-glucopyranose, (4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one, ... (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: 170564.97

Authors

Hennig, M.,Stihle, M.,Thoma, R. (deposition date: 2009-12-01, release date: 2010-01-12, 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 (2.4 Å)