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Structure paper

TitleCrystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Journal, issue, pagesTo Be Published
Publish dateDec 20, 2019 (structure data deposition date)
AuthorsBrear, P. / Fischer, G. / May, M. / Pantelejevs, T. / Mathieu, R. / Rossmann, M. / Wagstaff, J. / Blaszczyk, B. / Hyvonen, M.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.36 - 2.31 Å
Structure data

PDB-6tse:
Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

PDB-6tt2:
The PH domain of Bruton's tyrosine kinase mutant R28C
Method: X-RAY DIFFRACTION / Resolution: 1.36 Å

PDB-6tuh:
PH domain of Bruton's tyrosine kinase bound to compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-6tvn:
Crystal Structure of 5-bromoindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase
Method: X-RAY DIFFRACTION / Resolution: 2.31 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-72V:
1-methylindole-2,3-dione

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-NXT:
4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

ChemComp-NYQ:
5-bromanyl-1,3-dihydroindol-2-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / BTK / Covalent fragments / surface entrophy reduction / crystal engineering

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