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Structure paper

TitleDiscovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 5759-5771, Year 2017
Publish dateFeb 10, 2017 (structure data deposition date)
AuthorsIwatani-Yoshihara, M. / Ito, M. / Klein, M.G. / Yamamoto, T. / Yonemori, K. / Tanaka, T. / Miwa, M. / Morishita, D. / Endo, S. / Tjhen, R. ...Iwatani-Yoshihara, M. / Ito, M. / Klein, M.G. / Yamamoto, T. / Yonemori, K. / Tanaka, T. / Miwa, M. / Morishita, D. / Endo, S. / Tjhen, R. / Qin, L. / Nakanishi, A. / Maezaki, H. / Kawamoto, T.
External linksJ. Med. Chem. / PubMed:28586220
MethodsX-ray diffraction
Resolution2.75 - 2.95 Å
Structure data

PDB-5urj:
Crystal structure of human BRR2 in complex with T-3905516
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-5urk:
Crystal structure of human BRR2 in complex with T-3935799
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

PDB-5urm:
Crystal structure of human BRR2 in complex with T-1206548
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-8LS:
6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione

ChemComp-HOH:
WATER

ChemComp-8LP:
6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione

ChemComp-8LV:
3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase Inhibitor / BRR2 Inhibitor / RNA helicase / Hydrolase-Hydrolase Inhibitor complex / BRR2 RNA helicase inhibitor

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