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TitleEbselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Journal, issue, pagesSci Rep, Vol. 14, Page 12118-12118, Year 2024
Publish dateDec 16, 2021 (structure data deposition date)
AuthorsWatanabe, S. / Amporndanai, K. / Awais, R. / Latham, C. / Awais, M. / O'Neill, P.M. / Yamanaka, K. / Hasnain, S.S.
External linksSci Rep / PubMed:38802492
MethodsX-ray diffraction
Resolution1.35 - 1.5 Å
Structure data

PDB-7t8e:
G93A mutant of human SOD1 in P21 space group
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-7t8f:
G93A mutant of human SOD1 bound with Ebselen in P21 space group
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-7t8g:
G93A mutant of human SOD1 bound with MR6-8-2 in P21 space group
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-7t8h:
G93A mutant of human SOD1 bound with MR6-26-2 in P21 space group
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-9JT:
N-phenyl-2-selanylbenzamide

ChemComp-Q8H:
~{N}-(pyridin-3-ylmethyl)-2-selanyl-benzamide

ChemComp-SE:
SELENIUM ATOM

ChemComp-Q8E:
~{N}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / SOD1 / ALS / Drug discovery

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