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Structure paper

TitleRigidity and flexibility of dipeptidyl peptidase IV: crystal structures of and docking experiments with DPIV.
Journal, issue, pagesJ. Mol. Biol., Vol. 355, Page 768-783, Year 2006
Publish dateAug 1, 2005 (structure data deposition date)
AuthorsEngel, M. / Hoffmann, T. / Manhart, S. / Heiser, U. / Chambre, S. / Huber, R. / Demuth, H.U. / Bode, W.
External linksJ. Mol. Biol. / PubMed:16330047
MethodsX-ray diffraction
Resolution1.95 - 2.75 Å
Structure data

PDB-2aj8:
Porcine dipeptidyl peptidase IV (CD26) in complex with 7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione (BDPX)
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-2ajb:
Porcine dipeptidyl peptidase IV (CD26) in complex with the tripeptide tert-butyl-Gly-L-Pro-L-Ile (tBu-GPI)
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-2ajc:
Porcine dipeptidyl peptidase IV (CD26) in complex with 4-(2-Aminoethyl)-benzene sulphonyl fluoride (AEBSF)
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-2ajd:
Porcine dipeptidyl peptidase IV (CD26) in complex with L-Pro-boro-L-Pro (boroPro)
Method: X-RAY DIFFRACTION / Resolution: 2.56 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-SO4:
SULFATE ION

ChemComp-SC3:
7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE

ChemComp-HOH:
WATER

ChemComp-0QG:
3-methyl-L-valyl-L-prolyl-L-isoleucine

ChemComp-AES:
4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE / protease inhibitor*YM

ChemComp-BPR:
(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE

Source
  • sus scrofa (pig)
KeywordsHYDROLASE / Serine protease / dipeptidyl peptidase / oxyanion hole / substrate channeling / drug design / diabetes mellitus / flexibility / HYDROLASE/HYDROLASE INHIBITOR / alpha/beta-hydrolase / beta-propeller / hydrolase-hydrolase inhibitor complex

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