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Structure paper

TitleStructure of BTK kinase domain with the second-generation inhibitors acalabrutinib and tirabrutinib.
Journal, issue, pagesPlos One, Vol. 18, Page e0290872-e0290872, Year 2023
Publish dateDec 2, 2022 (structure data deposition date)
AuthorsLin, D.Y. / Andreotti, A.H.
External linksPlos One / PubMed:37651403
MethodsX-ray diffraction
Resolution1.7 - 2.6 Å
Structure data

PDB-8fd9:
Structure of BTK kinase domain with the second-generation inhibitor acalabrutinib
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-8ff0:
Structure of BTK kinase domain with the second-generation inhibitor tirabrutinib
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-XQQ:
4-[(4S)-8-amino-3-{(2S)-1-[(2E)-but-2-enoyl]pyrrolidin-2-yl}imidazo[1,5-a]pyrazin-1-yl]-N-(pyridin-2-yl)benzamide

ChemComp-BR:
BROMIDE ION

ChemComp-HOH:
WATER

ChemComp-7GB:
6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / inhibitor / kinase / complex / covalent / TRANSFERASE-TRANSFERASE INHIBITOR complex

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