EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
ジャーナル・号・ページ	J. Med. Chem., Vol. 66, Page 12950-12965, Year 2023
掲載日	2023年4月24日 (構造データの登録日)
著者	Wang, Z. / Wang, J. / Wang, Y. / Xiang, S. / Zhou, H. / Song, S. / Song, X. / Tu, Z. / Zhou, Y. / Ding, K. ...Wang, Z. / Wang, J. / Wang, Y. / Xiang, S. / Zhou, H. / Song, S. / Song, X. / Tu, Z. / Zhou, Y. / Ding, K. / Zhang, Z.M. / Zhang, Z. / Lu, X.
リンク	J. Med. Chem. / PubMed:37676745
手法	X線回折
解像度	2.09192247704 - 3.05065283716 Å
構造データ	PDB-8j5w: The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 2.28041464539 Å PDB-8j5x: The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 2.09192247704 Å PDB-8j61: The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 3.05065283716 Å PDB-8j63: The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 3.0005 Å
化合物	ChemComp-A4U: N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide ChemComp-HOH: WATER ChemComp-A0X: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide ChemComp-A6X: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE