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Structure paper

TitleCrystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N11213A
Journal, issue, pagesTo be Published
Publish dateMar 10, 2016 (structure data deposition date)
AuthorsNowak, R. / Krojer, T. / Johansson, C. / Gileadi, C. / Kupinska, K. / Strain-Damerell, C. / Szykowska, A. / Burgess-Brown, N.A. / Arrowsmith, C.H. / Bountra, C. ...Nowak, R. / Krojer, T. / Johansson, C. / Gileadi, C. / Kupinska, K. / Strain-Damerell, C. / Szykowska, A. / 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
Resolution2.42 Å
Structure data

PDB-5fz0:
Crystal structure of the catalytic domain of human JARID1B in complex with 2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide (N08137b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

Chemicals

ChemComp-ZN:
Unknown entry

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

ChemComp-MN:
Unknown entry

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-DJ6:
2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREUCTASE / JARID1B / PLU1 / PANDDA / FRAGMENT SOAKING / X-RAY FRAGMENT SCREENING

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