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TitleFragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 1484-1488, Year 2014
Publish dateFeb 7, 2014 (structure data deposition date)
AuthorsPetros, A.M. / Swann, S.L. / Song, D. / Swinger, K. / Park, C. / Zhang, H. / Wendt, M.D. / Kunzer, A.R. / Souers, A.J. / Sun, C.
External linksBioorg. Med. Chem. Lett. / PubMed:24582986
MethodsX-ray diffraction
Resolution1.81 - 2.86 Å
Structure data

PDB-4oq5:
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.86 Å

PDB-4oq6:
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

Chemicals

ChemComp-2UU:
4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid

ChemComp-HOH:
WATER

ChemComp-2UV:
4-hydroxy-4'-propylbiphenyl-3-carboxylic acid

Source
  • homo sapiens (human)
KeywordsAPOPTOSIS/INHIBITOR / APOPTOSIS-INHIBITOR complex

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