8U2D
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Summary for 8U2D
Entry DOI | 10.2210/pdb8u2d/pdb |
Descriptor | Tyrosine-protein kinase BTK, (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, SODIUM ION, ... (7 entities in total) |
Functional Keywords | protein degradation, leukemia, transferase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 32358.45 |
Authors | Gajewski, S.,Clifton, M.C. (deposition date: 2023-09-05, release date: 2024-01-31, Last modification date: 2024-03-06) |
Primary citation | Robbins, D.W.,Noviski, M.A.,Tan, Y.S.,Konst, Z.A.,Kelly, A.,Auger, P.,Brathaban, N.,Cass, R.,Chan, M.L.,Cherala, G.,Clifton, M.C.,Gajewski, S.,Ingallinera, T.G.,Karr, D.,Kato, D.,Ma, J.,McKinnell, J.,McIntosh, J.,Mihalic, J.,Murphy, B.,Panga, J.R.,Peng, G.,Powers, J.,Perez, L.,Rountree, R.,Tenn-McClellan, A.,Sands, A.T.,Weiss, D.R.,Wu, J.,Ye, J.,Guiducci, C.,Hansen, G.,Cohen, F. Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies. J.Med.Chem., 67:2321-2336, 2024 Cited by PubMed: 38300987DOI: 10.1021/acs.jmedchem.3c01007 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.95 Å) |
Structure validation
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