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TitleDiscovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 15-30, Year 2013
Publish dateNov 7, 2012 (structure data deposition date)
AuthorsFriberg, A. / Vigil, D. / Zhao, B. / Daniels, R.N. / Burke, J.P. / Garcia-Barrantes, P.M. / Camper, D. / Chauder, B.A. / Lee, T. / Olejniczak, E.T. / Fesik, S.W.
External linksJ. Med. Chem. / PubMed:23244564
MethodsX-ray diffraction
Resolution1.53 - 2.8 Å
Structure data

PDB-4hw2:
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4hw3:
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4hw4:
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

Chemicals

ChemComp-19H:
6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-19G:
3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsAPOPTOSIS/INHIBITOR / regulation of apoptosis / maintenance of viability / APOPTOSIS / APOPTOSIS-INHIBITOR complex / Anti-apoptotic protein / BH3 peptides

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