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) |
Structure validation
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