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Structure paper

TitleCrystal structure of human cathepsin S produced in insect cells in complex with ketoamide 13b
Journal, issue, pagesTo Be Published
Publish dateAug 20, 2024 (structure data deposition date)
AuthorsFalke, S. / Karnicar, K. / Usenik, A. / Lindic, N. / Sekirnik, A. / Reinke, P.Y.A. / Guenther, S. / Turk, D. / Meents, A.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.15 Å
Structure data

PDB-9gj2:
Crystal structure of human cathepsin S produced in insect cells in complex with ketoamide 13b
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

Chemicals

ChemComp-KH0:
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

ChemComp-EDO:
1,2-ETHANEDIOL

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

ChemComp-CIT:
CITRIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / cysteine protease / drug target / thiohemiketal / main protease inhibitor

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