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TitleSelective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Journal, issue, pagesCommun Med (Lond), Vol. 3, Page 154-154, Year 2023
Publish dateSep 22, 2022 (structure data deposition date)
AuthorsYuda, J. / Will, C. / Phillips, D.C. / Abraham, L. / Alvey, C. / Avigdor, A. / Buck, W. / Besenhofer, L. / Boghaert, E. / Cheng, D. ...Yuda, J. / Will, C. / Phillips, D.C. / Abraham, L. / Alvey, C. / Avigdor, A. / Buck, W. / Besenhofer, L. / Boghaert, E. / Cheng, D. / Cojocari, D. / Doyle, K. / Hansen, T.M. / Huang, K. / Johnson, E.F. / Judd, A.S. / Judge, R.A. / Kalvass, J.C. / Kunzer, A. / Lam, L.T. / Li, R. / Martin, R.L. / Mastracchio, A. / Mitten, M. / Petrich, A. / Wang, J. / Ward, J.E. / Zhang, H. / Wang, X. / Wolff, J.E. / Bell-McGuinn, K.M. / Souers, A.J.
External linksCommun Med (Lond) / PubMed:37880389
MethodsX-ray diffraction
Resolution1.55 - 2.406 Å
Structure data

PDB-8ekx:
Structure of MBP-Mcl-1 in complex with MIK665
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-8el0:
Structure of MBP-Mcl-1 in complex with a macrocyclic compound
Method: X-RAY DIFFRACTION / Resolution: 1.917 Å

PDB-8el1:
Structure of MBP-Mcl-1 in complex with ABBV-467
Method: X-RAY DIFFRACTION / Resolution: 2.406 Å

Chemicals

ChemComp-OK5:
(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid

ChemComp-HOH:
WATER

ChemComp-WLW:
(7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid

ChemComp-WME:
(7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid

Source
  • escherichia coli k-12 (bacteria)
  • homo sapiens (human)
  • escherichia coli (E. coli)
KeywordsAPOPTOSIS / MBP-Mcl-1 fusion protein / MIK665 / inhibitor complex / ABBV-467

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