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TitleA Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Journal, issue, pagesAcs Chem. Biol., Vol. 17, Page 2595-2604, Year 2022
Publish dateNov 19, 2021 (structure data deposition date)
AuthorsMoore, K.P. / Schwaid, A.G. / Tudor, M. / Park, S. / Beshore, D.C. / Converso, A. / Shipe, W.D. / Anand, R. / Lan, P. / Moningka, R. ...Moore, K.P. / Schwaid, A.G. / Tudor, M. / Park, S. / Beshore, D.C. / Converso, A. / Shipe, W.D. / Anand, R. / Lan, P. / Moningka, R. / Rothman, D.M. / Sun, W. / Chi, A. / Cornella-Taracido, I. / Adam, G.C. / Bahnck-Teets, C. / Carroll, S.S. / Fay, J.F. / Goh, S.L. / Lusen, J. / Quan, S. / Rodriguez, S. / Xu, M. / Andrews, C.L. / Song, C. / Filzen, T. / Li, J. / Hollenstein, K. / Klein, D.J. / Lammens, A. / Lim, U.M. / Fang, Z. / McHale, C. / Li, Y. / Lu, M. / Diamond, T.L. / Howell, B.J. / Zuck, P. / Balibar, C.J.
External linksAcs Chem. Biol. / PubMed:36044633
MethodsX-ray diffraction
Resolution2.46 - 2.78 Å
Structure data

PDB-7svl:
DPP9 IN COMPLEX WITH LIGAND ICeD-2
Method: X-RAY DIFFRACTION / Resolution: 2.46 Å

PDB-7svm:
DPP8 IN COMPLEX WITH LIGAND ICeD-2
Method: X-RAY DIFFRACTION / Resolution: 2.69 Å

PDB-7svn:
DPP9 IN COMPLEX WITH LIGAND ICeD-1
Method: X-RAY DIFFRACTION / Resolution: 2.78 Å

PDB-7svo:
DPP8 IN COMPLEX WITH LIGAND ICeD-1
Method: X-RAY DIFFRACTION / Resolution: 2.58 Å

Chemicals

ChemComp-D06:
(2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one

ChemComp-HOH:
WATER

ChemComp-TMO:
trimethylamine oxide

ChemComp-CW8:
(2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile

Source
  • homo sapiens (human)
KeywordsHYDROLASE / DIPEPTIDYL PEPTIDASE

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