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Structure paper

TitleInhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 2439-2455, Year 2017
Publish dateJul 28, 2016 (structure data deposition date)
AuthorsBuchman, C.D. / Hurley, T.D.
External linksJ. Med. Chem. / PubMed:28219011
MethodsX-ray diffraction
Resolution1.7 - 2.4 Å
Structure data

PDB-5l13:
Structure of ALDH2 in complex with 2P3
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5l2m:
Structure of ALDH1A1 in complex with BUC11
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5l2n:
Structure of ALDH1A1 in complex with BUC25
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5l2o:
Crystal Structure of ALDH1A1 in complex with BUC22
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GAI:
GUANIDINE

ChemComp-6ZE:
2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one

ChemComp-HOH:
WATER

ChemComp-YB:
YTTERBIUM (III) ION

ChemComp-6ZY:
2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one

ChemComp-CL:
Unknown entry

ChemComp-6ZU:
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate

ChemComp-6ZW:
7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / OXIDOREDUCTASE/OXIDOREDUCTASE INIHBITOR / ALDH1A1 Inhibitor / OXIDOREDUCTASE-OXIDOREDUCTASE INIHBITOR complex

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