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Structure Report for: 2I78

Name|Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with ABT-341, a cyclohexene-constrained phenethylamine inhbitor
Revelation date|09-Oct-2007
Family|DPP4N_Peptidase_S9: there are 829 genes in this family, 179 structure(s)
PDB File|ESTHER: header of PDB entry RCSB: Full entry
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
Ligand|Inhibitor: ABT-341 Ligand in structure: Ligplot


    Title: Discovery of ((4R,5S)-5-amino-4-(2,4,5- trifluorophenyl)cyclohex-1-enyl)-(3- (trifluoromethyl)-5,6-dihydro- [1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone (ABT-341), a highly potent, selective, orally efficacious, and safe dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
    Pei Z, Li X, von Geldern TW, Madar DJ, Longenecker K, Yong H, Lubben TH, Stewart KD, Zinker BA and Trevillyan JM <12 more author(s)>
    Ref: Journal of Medicinal Chemistry, 49:6439, 2006 : PubMed


Representative scheme of DPP4N_Peptidase_S9 structure and an image from PDBsum server

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PDB-Sum2I78 Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP2I78 Fold classification based on Structure-Structure alignment of Proteins - FSSP server
SCOP2I78 Structural Classification Of Protein - SCOP server
PROTEOPEDIA2i78 3D, interactive encyclopedia of proteins - PROTEOPEDIA server

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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