4A5S

CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR

Summary for 4A5S

• Entry DOI: 10.2210/pdb4a5s/pdb
• Related: 1J2E 1N1M 1NU6 1NU8 1PFQ 1R9M 1R9N 1RWQ 1TK3 1TKR 1U8E 1W1I 1WCY 1X70 2AJL 2BGN 2BGR 2BUB 2G5P 2G5T 2G63 2JID
• Descriptor: DIPEPTIDYL PEPTIDASE 4 SOLUBLE FORM, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, ... (6 entities in total)
• Functional Keywords: hydrolase, type 2 diabetes, novartis compound nvp-biv988
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 2
• Total formula weight: 176783.15

Authors

Ostermann, N.,Kroemer, M.,Zink, F.,Gerhartz, B.,Sutton, J.M.,Clark, D.E.,Dunsdon, S.J.,Fenton, G.,Fillmore, A.,Harris, N.V.,Higgs, C.,Hurley, C.A.,Krintel, S.L.,MacKenzie, R.E.,Duttaroy, A.,Gangl, E.,Maniara, W.,Sedrani, R.,Namoto, K.,Sirockin, F.,Trappe, J.,Hassiepen, U.,Baeschlin, D.K. (deposition date: 2011-10-28, release date: 2012-02-08, Last modification date: 2020-07-29)

• Primary citation: Sutton, J.M.,Clark, D.E.,Dunsdon, S.J.,Fenton, G.,Fillmore, A.,Harris, N.V.,Higgs, C.,Hurley, C.A.,Krintel, S.L.,Mackenzie, R.E.,Duttaroy, A.,Gangl, E.,Maniara, W.,Sedrani, R.,Namoto, K.,Ostermann, N.,Gerhartz, B.,Sirockin, F.,Trappe, J.,Hassiepen, U.,Baeschlin, D.K.; Novel Heterocyclic Dpp-4 Inhibitors for the Treatment of Type 2 Diabetes.; Bioorg.Med.Chem.Lett., 22:1464-, 2012; PubMed: 22177783; DOI: 10.1016/J.BMCL.2011.11.054

Experimental method

X-RAY DIFFRACTION (1.62 Å)