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	From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
ジャーナル・号・ページ	Nat Commun, Vol. 14, Page 3079-3079, Year 2023
掲載日	2022年4月7日 (構造データの登録日)
著者	Saez-Ayala, M. / Hoffer, L. / Abel, S. / Ben Yaala, K. / Sicard, B. / Andrieu, G.P. / Latiri, M. / Davison, E.K. / Ciufolini, M.A. / Bremond, P. ...Saez-Ayala, M. / Hoffer, L. / Abel, S. / Ben Yaala, K. / Sicard, B. / Andrieu, G.P. / Latiri, M. / Davison, E.K. / Ciufolini, M.A. / Bremond, P. / Rebuffet, E. / Roche, P. / Derviaux, C. / Voisset, E. / Montersino, C. / Castellano, R. / Collette, Y. / Asnafi, V. / Betzi, S. / Dubreuil, P. / Combes, S. / Morelli, X.
リンク	Nat Commun / PubMed:37248212
手法	X線回折
解像度	1.7 - 2.18 Å
構造データ	PDB-7zi1: Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi1 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-7zi2: Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi2 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.18 Å PDB-7zi3: Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0642 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7zi5: Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0274 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-7zi6: Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0325 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7zi7: Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0345 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-7zi8: Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0602 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-7zi9: Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0624 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-7zia: Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0634 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7zib: Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0635 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å
化合物	ChemComp-UDP: URIDINE-5'-DIPHOSPHATE / UDP / UDPYM ChemComp-JCA: N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-HOH: WATER ChemComp-J7W: N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide ChemComp-J98: 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine ChemComp-J9I: 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine ChemComp-JAQ: 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine ChemComp-JCM: 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-N-propyl-1,3-thiazol-2-amine ChemComp-J5U: 2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine ChemComp-J6M: 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine ChemComp-J29: 2-[2-[[2-methyl-5-[6-(4-methylpiperazin-1-yl)sulfonylpyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine ChemComp-J7I*: 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE / Inhibitor