2I78

Crystal structure of human dipeptidyl peptidase IV (DPP IV) complexed with ABT-341, a cyclohexene-constrained phenethylamine inhibitor

Summary for 2I78

• Entry DOI: 10.2210/pdb2i78/pdb
• Descriptor: Dipeptidyl peptidase IV, (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE (3 entities in total)
• Functional Keywords: serine peptidase, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Dipeptidyl peptidase 4 soluble form: Secreted . Cell membrane ; Single- pass type II membrane protein: P27487
• Total number of polymer chains: 4
• Total formula weight: 337454.71

Authors

Longenecker, K.L.,Pei, Z.,Li, X. (deposition date: 2006-08-30, release date: 2007-10-09, Last modification date: 2017-10-18)

• Primary citation: Pei, Z.,Li, X.,vonGeldern, T.W.,Madar, D.J.,L Longenecker, K.,Yong, H.,Lubben, T.H.,Stewart, K.D.,Zinker, B.A.,Backes, B.J.,Judd, A.S.,Mulhern, M.,Ballaron, S.J.,Stashko, M.A.,Mika, A.K.,Beno, D.W.A.,Reinhart, G.A.,Fryer, R.M.,Preusser, L.C.,Kempf-Grote, A.J.,Sham, H.L.,Trevillyan, J.M.; Discovery of Cyclohexene-constrained Phenethylamine ABT-341, a Highly Potent, Selective, Orally Bioavailable, Safe and Potential Next-generation Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes; To be Published,

Experimental method

X-RAY DIFFRACTION (2.5 Å)