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Structure paper

TitleX-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
Journal, issue, pagesJ. Mol. Struct., Vol. 1274, Page 134595-, Year 2023
Publish dateSep 7, 2022 (structure data deposition date)
AuthorsGerace, A. / Masini, V. / Crocetti, L. / Giovannoni, M.P. / Ferraroni, M.
External linksJ. Mol. Struct. / Search PubMed
MethodsX-ray diffraction
Resolution1.12 - 1.6 Å
Structure data

PDB-8b04:
STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT OF AN ISOXAZOLONE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8b1y:
STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT OF A 5-AZAINDAZOLE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.12 Å

PDB-8b49:
STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT (m-toluoylcarbonyl group) OF A 5-AZAINDOLE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.19 Å

PDB-8b53:
Structure of porcine pancreatic elastase bound to a fragment of a 4-azaindole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-OU0:
2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-OTO:
1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-OW9:
1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile

ChemComp-OVV:
3-methylbenzoic acid

Source
  • sus scrofa (pig)
KeywordsLYASE / CHYMOTRYPSIN FAMILY / SERINE PROTEASE / HYDROLASE / elastase

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