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Structure paper

TitleDesign of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 4664-4682, Year 2012
Publish dateJul 1, 2011 (structure data deposition date)
AuthorsZhou, H. / Chen, J. / Meagher, J.L. / Yang, C.Y. / Aguilar, A. / Liu, L. / Bai, L. / Cong, X. / Cai, Q. / Fang, X. ...Zhou, H. / Chen, J. / Meagher, J.L. / Yang, C.Y. / Aguilar, A. / Liu, L. / Bai, L. / Cong, X. / Cai, Q. / Fang, X. / Stuckey, J.A. / Wang, S.
External linksJ. Med. Chem. / PubMed:22448988
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-3spf:
Crystal Structure of Bcl-xL bound to BM501
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-B50:
4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsAPOPTOSIS REGULATOR/INHIBITOR / Bcl-2-like protein / APOPTOSIS-APOPTOSIS INHIBITOR complex / APOPTOSIS REGULATOR-INHIBITOR complex

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