7DT2
Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
Summary for 7DT2
Entry DOI | 10.2210/pdb7dt2/pdb |
Descriptor | Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid (3 entities in total) |
Functional Keywords | tyrosine kinase covalent inhibitor chronic myelogenous leukemia, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 72678.19 |
Authors | Anantharajan, J.,Baburajendran, N. (deposition date: 2021-01-04, release date: 2021-06-09, Last modification date: 2023-11-29) |
Primary citation | Quach, D.,Tang, G.,Anantharajan, J.,Baburajendran, N.,Poulsen, A.,Wee, J.L.K.,Retna, P.,Li, R.,Liu, B.,Tee, D.H.Y.,Kwek, P.Z.,Joy, J.K.,Yang, W.Q.,Zhang, C.J.,Foo, K.,Keller, T.H.,Yao, S.Q. Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*. Angew.Chem.Int.Ed.Engl., 60:17131-17137, 2021 Cited by PubMed: 34008286DOI: 10.1002/anie.202105383 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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