6I99

Bone Marrow Tyrosine Kinase in Chromosome X in complex with a newly designed covalent inhibitor JS24

Summary for 6I99

Entry DOI	10.2210/pdb6i99/pdb
Descriptor	Cytoplasmic tyrosine-protein kinase BMX, ~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide (3 entities in total)
Functional Keywords	cytoplasmic tyrosine-kinase bmx, homo sapiens, cytosolic protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	66214.04
Authors	Sousa, B.B.,Matias, P.M.,Marques, M.C.,Seixas, J.D.,Bernardes, G.J.L. (deposition date: 2018-11-22, release date: 2020-05-27, Last modification date: 2024-01-24)
Primary citation	Seixas, J.D.,Sousa, B.B.,Marques, M.C.,Guerreiro, A.,Traquete, R.,Rodrigues, T.,Albuquerque, I.S.,Sousa, M.F.Q.,Lemos, A.R.,Sousa, P.M.F.,Bandeiras, T.M.,Wu, D.,Doyle, S.K.,Robinson, C.V.,Koehler, A.N.,Corzana, F.,Matias, P.M.,Bernardes, G.J.L. Structural and biophysical insights into the mode of covalent binding of rationally designed potent BMX inhibitors Chem.Biol., 2020 Cited by DOI: 10.1039/D0CB00033G PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.001 Å)

Structure validation