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TitleCrystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 3-Methyl-N-Pyridin-4-Yl-1,2-Oxazole-5-Carboxamide (N09954A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
Journal, issue, pagesTo be Published
Publish dateMar 14, 2016 (structure data deposition date)
AuthorsNowak, R. / Krojer, T. / Johansson, C. / Kupinska, K. / Szykowska, A. / Pearce, N. / Talon, R. / Collins, P. / Gileadi, C. / Strain-Damerell, C. ...Nowak, R. / Krojer, T. / Johansson, C. / Kupinska, K. / Szykowska, A. / Pearce, N. / Talon, R. / Collins, P. / Gileadi, C. / Strain-Damerell, C. / Burgess-Brown, N.A. / Arrowsmith, C.H. / Bountra, C. / Edwards, A.M. / von Delft, F. / Brennan, P.E. / Oppermann, U.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.55 Å
Structure data

PDB-5fzl:
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-methyl-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (N09954a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-ZN:
Unknown entry

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

ChemComp-MN:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-UOI:
3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide

ChemComp-CL:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / JARID1B / PLU1 / FRAGMENT SCREENING / STRUCTURAL GENOMICS CONSORTIUM / SGC / DIAMOND I04-1 / PANDDA

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