5U9D
Discovery of a potent BTK inhibitor with a novel binding mode using parallel selections with a DNA-encoded chemical library
Summary for 5U9D
Entry DOI | 10.2210/pdb5u9d/pdb |
Descriptor | Tyrosine-protein kinase BTK, (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, ... (5 entities in total) |
Functional Keywords | brutons tyrosine kinase, btk, protein kinase, dna encoded library, proteros biostructures gmbh, antitumor protein |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm: Q06187 |
Total number of polymer chains | 1 |
Total formula weight | 32477.25 |
Authors | Cuozzo, J.W.,Centrella, P.A.,Gikunju, D.,Habeshian, S.,Hupp, C.D.,Keefe, A.D.,Sigel, E.,Soutter, H.H.,Thomson, H.A.,Zhang, Y.,Clark, M.A. (deposition date: 2016-12-16, release date: 2017-01-18, Last modification date: 2024-03-06) |
Primary citation | Cuozzo, J.W.,Centrella, P.A.,Gikunju, D.,Habeshian, S.,Hupp, C.D.,Keefe, A.D.,Sigel, E.A.,Soutter, H.H.,Thomson, H.A.,Zhang, Y.,Clark, M.A. Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA-Encoded Chemical Library. Chembiochem, 18:864-871, 2017 Cited by PubMed: 28056160DOI: 10.1002/cbic.201600573 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.33 Å) |
Structure validation
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