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Structure paper

TitleIn Silico Identification of JMJD3 Demethylase Inhibitors.
Journal, issue, pagesJ Chem Inf Model, Vol. 58, Page 2151-2163, Year 2018
Publish dateFeb 27, 2018 (structure data deposition date)
AuthorsEsposito, C. / Wiedmer, L. / Caflisch, A.
External linksJ Chem Inf Model / PubMed:30226987
MethodsX-ray diffraction
Resolution1.649 - 2.043 Å
Structure data

PDB-6fuk:
Crystal structure of UTX complexed with 5-carboxy-8-hydroxyquinoline
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6ful:
Crystal structure of UTX complexed with 5-hydroxy-4-keto-1-methyl-picolinate
Method: X-RAY DIFFRACTION / Resolution: 1.649 Å

PDB-6g8f:
Crystal structure of UTX complexed with GSK-J1
Method: X-RAY DIFFRACTION / Resolution: 2.043 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-8XQ:
8-hydroxyquinoline-5-carboxylic acid

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PG0:
2-(2-METHOXYETHOXY)ETHANOL / inhibitor, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-E7Z:
1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid

ChemComp-K0I:
3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid

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

ChemComp-CL:
Unknown entry

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Jumonji Demethylase / Inhibitor

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