5VFI
Bruton's tyrosine kinase (BTK) with GDC-0853
Summary for 5VFI
Entry DOI | 10.2210/pdb5vfi/pdb |
Descriptor | Tyrosine-protein kinase BTK, 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, 1,2-ETHANEDIOL, ... (5 entities in total) |
Functional Keywords | protein kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm: Q06187 |
Total number of polymer chains | 1 |
Total formula weight | 32951.75 |
Authors | Steinbacher, S.,Eigenbrot, C. (deposition date: 2017-04-07, release date: 2018-02-28, Last modification date: 2024-03-13) |
Primary citation | Crawford, J.J.,Johnson, A.R.,Misner, D.L.,Belmont, L.D.,Castanedo, G.,Choy, R.,Coraggio, M.,Dong, L.,Eigenbrot, C.,Erickson, R.,Ghilardi, N.,Hau, J.,Katewa, A.,Kohli, P.B.,Lee, W.,Lubach, J.W.,McKenzie, B.S.,Ortwine, D.F.,Schutt, L.,Tay, S.,Wei, B.,Reif, K.,Liu, L.,Wong, H.,Young, W.B. Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development. J. Med. Chem., 61:2227-2245, 2018 Cited by PubMed: 29457982DOI: 10.1021/acs.jmedchem.7b01712 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.59 Å) |
Structure validation
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