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Structure paper

TitleInhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones.
Journal, issue, pagesJ. Med. Chem., Vol. 41, Page 2461-2480, Year 1998
Publish dateNov 9, 1998 (structure data deposition date)
AuthorsCregge, R.J. / Durham, S.L. / Farr, R.A. / Gallion, S.L. / Hare, C.M. / Hoffman, R.V. / Janusz, M.J. / Kim, H.O. / Koehl, J.R. / Mehdi, S. ...Cregge, R.J. / Durham, S.L. / Farr, R.A. / Gallion, S.L. / Hare, C.M. / Hoffman, R.V. / Janusz, M.J. / Kim, H.O. / Koehl, J.R. / Mehdi, S. / Metz, W.A. / Peet, N.P. / Pelton, J.T. / Schreuder, H.A. / Sunder, S. / Tardif, C.
External linksJ. Med. Chem. / PubMed:9651152
MethodsX-ray diffraction
Resolution1.8 - 3 Å
Structure data

PDB-1b0e:
CRYSTAL STRUCTURE OF PORCINE PANCREATIC ELASTASE WITH MDL 101,146
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-1b0f:
CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL ELASTASE WITH MDL 101, 146
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-SEI:
1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE

ChemComp-HOH:
WATER

Source
  • sus scrofa (pig)
  • homo sapiens (human)
KeywordsHYDROLASE / SERINE PROTEASE / FLUOROETHYL KETONES

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