6OMU
Structure of human Bruton's Tyrosine Kinase in complex with Evobrutinib
Summary for 6OMU
Entry DOI | 10.2210/pdb6omu/pdb |
Descriptor | Tyrosine-protein kinase BTK, CHLORIDE ION, 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one, ... (4 entities in total) |
Functional Keywords | kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 32063.25 |
Authors | Mochalkin, I.,Gardberg, A.S. (deposition date: 2019-04-19, release date: 2019-08-14, Last modification date: 2023-10-11) |
Primary citation | Caldwell, R.D.,Qiu, H.,Askew, B.C.,Bender, A.T.,Brugger, N.,Camps, M.,Dhanabal, M.,Dutt, V.,Eichhorn, T.,Gardberg, A.S.,Goutopoulos, A.,Grenningloh, R.,Head, J.,Healey, B.,Hodous, B.L.,Huck, B.R.,Johnson, T.L.,Jones, C.,Jones, R.C.,Mochalkin, I.,Morandi, F.,Nguyen, N.,Meyring, M.,Potnick, J.R.,Santos, D.C.,Schmidt, R.,Sherer, B.,Shutes, A.,Urbahns, K.,Follis, A.V.,Wegener, A.A.,Zimmerli, S.C.,Liu-Bujalski, L. Discovery of Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases. J.Med.Chem., 62:7643-7655, 2019 Cited by PubMed: 31368705DOI: 10.1021/acs.jmedchem.9b00794 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.41 Å) |
Structure validation
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