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Structure paper

TitleA covalent BTK ternary complex compatible with targeted protein degradation.
Journal, issue, pagesNat Commun, Vol. 14, Page 1189-1189, Year 2023
Publish dateJul 22, 2022 (structure data deposition date)
AuthorsSchiemer, J. / Maxwell, A. / Horst, R. / Liu, S. / Uccello, D.P. / Borzilleri, K. / Rajamohan, N. / Brown, M.F. / Calabrese, M.F.
External linksNat Commun / PubMed:36864023
MethodsX-ray diffraction
Resolution1.5 - 2.334 Å
Structure data

PDB-8dsf:
Structure of cIAP1 with BCCov
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-8dso:
Structure of cIAP1, BTK and BCCov
Method: X-RAY DIFFRACTION / Resolution: 2.334 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-TO0:
(4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form

ChemComp-HOH:
WATER

ChemComp-TOO:
(4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form

Source
  • homo sapiens (human)
KeywordsAPOPTOSIS / Degrader / Inhibitor of Apoptosis / E3 Ligase / ONCOPROTEIN / PROTAC / Ternary Complex / BTK

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