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6MX8

Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib

Replaces:  5J7H
Summary for 6MX8
Entry DOI10.2210/pdb6mx8/pdb
DescriptorALK tyrosine kinase receptor, 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine (3 entities in total)
Functional Keywordsalk kinase, brigatinib, tyrosine kinase, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight35073.80
Authors
Dougan, D.R.,Zhou, T. (deposition date: 2018-10-30, release date: 2018-12-12, Last modification date: 2024-03-13)
Primary citationHuang, W.S.,Liu, S.,Zou, D.,Thomas, M.,Wang, Y.,Zhou, T.,Romero, J.,Kohlmann, A.,Li, F.,Qi, J.,Cai, L.,Dwight, T.A.,Xu, Y.,Xu, R.,Dodd, R.,Toms, A.,Parillon, L.,Lu, X.,Anjum, R.,Zhang, S.,Wang, F.,Keats, J.,Wardwell, S.D.,Ning, Y.,Xu, Q.,Moran, L.E.,Mohemmad, Q.K.,Jang, H.G.,Clackson, T.,Narasimhan, N.I.,Rivera, V.M.,Zhu, X.,Dalgarno, D.,Shakespeare, W.C.
Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59:4948-4964, 2016
Cited by
PubMed: 27144831
DOI: 10.1021/acs.jmedchem.6b00306
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.96 Å)
Structure validation

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