7LTY

Bruton's tyrosine kinase in complex with compound 23

Summary for 7LTY

• Entry DOI: 10.2210/pdb7lty/pdb
• Related: 6W07
• Descriptor: Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: transferase, transferase inhibitor, kinase, kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 31761.57

Authors

Metrick, C.M.,Marcotte, D.J. (deposition date: 2021-02-20, release date: 2022-01-12, Last modification date: 2023-10-18)

• Primary citation: Hopkins, B.T.,Bame, E.,Bajrami, B.,Black, C.,Bohnert, T.,Boiselle, C.,Burdette, D.,Burns, J.C.,Delva, L.,Donaldson, D.,Grater, R.,Gu, C.,Hoemberger, M.,Johnson, J.,Kapadnis, S.,King, K.,Lulla, M.,Ma, B.,Marx, I.,Magee, T.,Meissner, R.,Metrick, C.M.,Mingueneau, M.,Murugan, P.,Otipoby, K.L.,Polack, E.,Poreci, U.,Prince, R.,Roach, A.M.,Rowbottom, C.,Santoro, J.C.,Schroeder, P.,Tang, H.,Tien, E.,Zhang, F.,Lyssikatos, J.; Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.; J.Med.Chem., 65:1206-1224, 2022; PubMed: 34734694; DOI: 10.1021/acs.jmedchem.1c00926

Experimental method

X-RAY DIFFRACTION (1.69 Å)