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Structure Report for: 4JH0

Name|Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide
Revelation date|04-Sep-2013
Family|DPP4N_Peptidase_S9: there are 829 genes in this family, 179 structure(s)
Gene_locus|human-DPP4
PDB File|ESTHER: header of PDB entry RCSB: Full entry
Comment|
Klei, H.E.
Ligand|Inhibitor: CHEMBL2441952 Ligand in structure: Ligplot


Reference

    Title: Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]py ridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778)
    Devasthale P, Wang Y, Wang W, Fevig J, Feng J, Wang A, Harrity T, Egan D, Morgan N and Hamann LG <11 more author(s)>
    Ref: Journal of Medicinal Chemistry, 56:7343, 2013 : PubMed

            



Representative scheme of DPP4N_Peptidase_S9 structure and an image from PDBsum server

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Databases

PDB-Sum4JH0 Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP4JH0 Fold classification based on Structure-Structure alignment of Proteins - FSSP server
SCOP4JH0 Structural Classification Of Protein - SCOP server
PROTEOPEDIA4jh0 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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