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Structure paper

TitleSmall-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Journal, issue, pagesNat. Chem. Biol., Vol. 17, Page 784-793, Year 2021
Publish dateApr 8, 2020 (structure data deposition date)
AuthorsShukla, S. / Ying, W. / Gray, F. / Yao, Y. / Simes, M.L. / Zhao, Q. / Miao, H. / Cho, H.J. / Gonzalez-Alonso, P. / Winkler, A. ...Shukla, S. / Ying, W. / Gray, F. / Yao, Y. / Simes, M.L. / Zhao, Q. / Miao, H. / Cho, H.J. / Gonzalez-Alonso, P. / Winkler, A. / Lund, G. / Purohit, T. / Kim, E. / Zhang, X. / Ray, J.M. / He, S. / Nikolaidis, C. / Ndoj, J. / Wang, J. / Jaremko, L. / Jaremko, M. / Ryan, R.J.H. / Guzman, M.L. / Grembecka, J. / Cierpicki, T.
External linksNat. Chem. Biol. / PubMed:34155404
MethodsX-ray diffraction / NMR (solution)
Resolution1.702 - 3.092 Å
Structure data

PDB-6wi7:
RING1B-BMI1 fusion in closed conformation
Method: X-RAY DIFFRACTION / Resolution: 1.702 Å

PDB-6wi8:
Inhibitor compound-induced confrontational change in Ring1b-Bmi1 domain structure
Method: X-RAY DIFFRACTION / Resolution: 3.092 Å

PDB-7nd1:
First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain
Method: SOLUTION NMR

Chemicals

ChemComp-ZN:
Unknown entry

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

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-U9E:
3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid

Source
  • homo sapiens (human)
KeywordsLIGASE / E3 ubiquitin ligase / Ring1b / Bmi1 / E3 ubiquitin ligase Ring1b / GENE REGULATION / Polycomb Repressive Complex 1 (PRC1) / Inhibitor

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