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TitleCrystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (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
Resolution2.05 - 2.09 Å
Structure data

PDB-5fzc:
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-5fzh:
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Method: X-RAY DIFFRACTION / Resolution: 2.09 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-D8S:
benzo[g][1]benzothiole-2-carboxylic acid

ChemComp-CL:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

ChemComp-0TI:
(3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one

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

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