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TitleStructure-Guided Rescaffolding of Selective Antagonists of BCL-XL.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 5, Page 662-667, Year 2014
Publish dateJun 24, 2014 (structure data deposition date)
AuthorsKoehler, M.F. / Bergeron, P. / Choo, E.F. / Lau, K. / Ndubaku, C. / Dudley, D. / Gibbons, P. / Sleebs, B.E. / Rye, C.S. / Nikolakopoulos, G. ...Koehler, M.F. / Bergeron, P. / Choo, E.F. / Lau, K. / Ndubaku, C. / Dudley, D. / Gibbons, P. / Sleebs, B.E. / Rye, C.S. / Nikolakopoulos, G. / Bui, C. / Kulasegaram, S. / Kersten, W.J. / Smith, B.J. / Czabotar, P.E. / Colman, P.M. / Huang, D.C. / Baell, J.B. / Watson, K.G. / Hasvold, L. / Tao, Z.F. / Wang, L. / Souers, A.J. / Elmore, S.W. / Flygare, J.A. / Fairbrother, W.J. / Lessene, G.
External linksAcs Med. Chem. Lett. / PubMed:24944740
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-4tuh:
Bcl-xL in complex with inhibitor (Compound 10)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-38H:
2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsAPOPTOSIS / Drug Design

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