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Structure paper

TitleCell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 61, Page e202203878-e202203878, Year 2022
Publish dateDec 6, 2021 (structure data deposition date)
AuthorsChen, P. / Sun, J. / Zhu, C. / Tang, G. / Wang, W. / Xu, M. / Xiang, M. / Zhang, C.J. / Zhang, Z.M. / Gao, L. / Yao, S.Q.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:35438229
MethodsX-ray diffraction
Resolution2.00000937681 - 2.20003021871 Å
Structure data

PDB-7w7x:
The crystal structure of human abl1 kinase domain in complex with ABL1-A11
Method: X-RAY DIFFRACTION / Resolution: 2.00000937681 Å

PDB-7w7y:
The crystal structure of human abl1 kinase domain in complex with ABL2-A5
Method: X-RAY DIFFRACTION / Resolution: 2.20003021871 Å

Chemicals

ChemComp-8DW:
5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine

ChemComp-HOH:
WATER

ChemComp-8IW:
5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ABL1

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