3SWW

Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one

Summary for 3SWW

• Entry DOI: 10.2210/pdb3sww/pdb
• Related: 3BJM 3NOX 3Q0T 3SWW
• Descriptor: Dipeptidyl peptidase 4, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (5 entities in total)
• Functional Keywords: exopeptidase, alpha/beta hydrolase fold, beta barrel, beta propeller, dpp4, dimer, protein:inhibitor complex, aminopeptidase, glycoprotein, membrane, protease, secreted, serine protease, signal-anchor, transmembrane, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 178723.11

Authors

Klei, H.E. (deposition date: 2011-07-14, release date: 2011-10-26, Last modification date: 2023-09-13)

• Primary citation: Wang, W.,Devasthale, P.,Wang, A.,Harrity, T.,Egan, D.,Morgan, N.,Cap, M.,Fura, A.,Klei, H.E.,Kish, K.,Weigelt, C.,Sun, L.,Levesque, P.,Li, Y.X.,Zahler, R.,Kirby, M.S.,Hamann, L.G.; 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.; Bioorg.Med.Chem.Lett., 21:6646-6651, 2011; PubMed: 21996520; DOI: 10.1016/j.bmcl.2011.09.074

Experimental method

X-RAY DIFFRACTION (2 Å)