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Structure paper

TitleUnexpected active-site flexibility in the structure of human neutrophil elastase in complex with a new dihydropyrimidone inhibitor.
Journal, issue, pagesJ. Mol. Biol., Vol. 409, Page 681-691, Year 2011
Publish dateJan 4, 2011 (structure data deposition date)
AuthorsHansen, G. / Gielen-Haertwig, H. / Reinemer, P. / Schomburg, D. / Harrenga, A. / Niefind, K.
External linksJ. Mol. Biol. / PubMed:21549129
MethodsX-ray diffraction
Resolution1.861 - 1.998 Å
Structure data

PDB-3q76:
Structure of human neutrophil elastase (uncomplexed)
Method: X-RAY DIFFRACTION / Resolution: 1.861 Å

PDB-3q77:
Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.998 Å

Chemicals

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

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-2HY:
2-hydroxyethyl (4R)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Source
  • homo sapiens (human)
KeywordsHYDROLASE / trypsin family fold / protease / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex

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