Co-crystal structures of PTK6: With Dasatinib at 2.24 Å, with novel imidazo[1,2-a]pyrazin-8-amine derivative inhibitor at 1.70 Å resolution

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• 作者：Manish Kumar Thakur^a ; ^b ; Swarnakumari Birudukota^b ; Srinivasan Swaminathan^b ; Sivarama Krishna Battula^b ; Sarvanan Vadivelu^b ; Rajiv Tyagi^b ; Ramachandraiah Gosu^a ; ^b ; ^{ramachandraiah_gosu@jubilantbiosys.com}
• 关键词：PTK6 ; BRK ; Tyrosine kinase ; Co-crystal structure ; Dasatinib ; Inhibitor
• 刊名：Biochemical and Biophysical Research Communications
• 出版年：2017
• 出版时间：22 January 2017
• 年：2017
• 卷：482
• 期：4
• 页码：1289-1295
• 全文大小：1535 K
• 卷排序：482

文摘

We report first co-crystal structures of human PTK6 with potent inhibitors bound at the ATP binding pocket. Relative difference in potency between FDA approved drug, Dasatinib and an inhibitor is delineated at the molecular level. These co-crystal structures of PTK6-KD are in DFG-in and αC-helix-out conformation.