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Structure paper

TitleThe crystal structure of human Calpain-1 protease core in complex with 14a
Journal, issue, pagesTo Be Published
Publish dateDec 6, 2021 (structure data deposition date)
AuthorsZhao, Y. / Zhao, J. / Shao, M. / Yang, H. / Rao, Z.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.59 - 1.8 Å
Structure data

PDB-7w7o:
The crystal structure of human Calpain-1 protease core in complex with 14a
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-7x79:
The crystal structure of human Calpain-1 protease core in complex with 14b
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-06Q:
N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide

ChemComp-H2S:
HYDROSULFURIC ACID

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-89K:
N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Human protease / Calpain-1 / Antiviral inhibitor / 14a

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