6DI1
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT FRAGMENT LIGAND
Summary for 6DI1
Entry DOI | 10.2210/pdb6di1/pdb |
Related | 6di0 |
Descriptor | Tyrosine-protein kinase BTK, 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide (3 entities in total) |
Functional Keywords | lead optimization, fragment screening by x-ray, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens |
Total number of polymer chains | 1 |
Total formula weight | 31876.60 |
Authors | Jiang, X. (deposition date: 2018-05-22, release date: 2018-10-17, Last modification date: 2018-10-24) |
Primary citation | Caldwell, R.,Liu-Bujalski, L.,Qiu, H.,Mochalkin, I.,Jones, R.,Neagu, C.,Goutopoulos, A.,Grenningloh, R.,Johnson, T.,Sherer, B.,Gardberg, A.,Follis, A.V.,Morandi, F.,Head, J. Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk. Bioorg. Med. Chem. Lett., 28:3419-3424, 2018 Cited by PubMed: 30290988DOI: 10.1016/j.bmcl.2018.09.033 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.1 Å) |
Structure validation
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