6E4F

Crystal structure of ARQ 531 in complex with the kinase domain of BTK

Summary for 6E4F

• Entry DOI: 10.2210/pdb6e4f/pdb
• Descriptor: Tyrosine-protein kinase BTK, 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol, IMIDAZOLE, ... (5 entities in total)
• Functional Keywords: inhibitor, complex, signaling protein, signaling protein-inhibitor complex, signaling protein/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 34494.83

Authors

Eathiraj, S. (deposition date: 2018-07-17, release date: 2018-09-05, Last modification date: 2024-03-13)

• Primary citation: Reiff, S.D.,Mantel, R.,Smith, L.L.,Greene, J.T.,Muhowski, E.M.,Fabian, C.A.,Goettl, V.M.,Tran, M.,Harrington, B.K.,Rogers, K.A.,Awan, F.T.,Maddocks, K.,Andritsos, L.,Lehman, A.M.,Sampath, D.,Lapalombella, R.,Eathiraj, S.,Abbadessa, G.,Schwartz, B.,Johnson, A.J.,Byrd, J.C.,Woyach, J.A.; The BTK Inhibitor ARQ 531 Targets Ibrutinib-Resistant CLL and Richter Transformation.; Cancer Discov, 8:1300-1315, 2018; PubMed: 30093506; DOI: 10.1158/2159-8290.CD-17-1409

Experimental method

X-RAY DIFFRACTION (1.15 Å)