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	Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
ジャーナル・号・ページ	J. Med. Chem., Vol. 62, Page 7788-7805, Year 2019
掲載日	2018年3月13日 (構造データの登録日)
著者	Zhong, W. / Pasunooti, K.K. / Balamkundu, S. / Wong, Y.H. / Nah, Q. / Gadi, V. / Gnanakalai, S. / Chionh, Y.H. / McBee, M.E. / Gopal, P. ...Zhong, W. / Pasunooti, K.K. / Balamkundu, S. / Wong, Y.H. / Nah, Q. / Gadi, V. / Gnanakalai, S. / Chionh, Y.H. / McBee, M.E. / Gopal, P. / Lim, S.H. / Olivier, N. / Buurman, E.T. / Dick, T. / Liu, C.F. / Lescar, J. / Dedon, P.C.
リンク	J. Med. Chem. / PubMed:31442049
手法	X線回折
解像度	1.75 - 2.76 Å
構造データ	PDB-5zhi: Apo crystal structure of TrmD from Mycobacterium tuberculosis 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-5zhj: Crystal structure of TrmD from Mycobacterium tuberculosis in complex with S-adenosyl homocysteine (SAH) 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5zhk: Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5zhl: Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-5zhm: Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.76 Å PDB-5zhn: Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å PDB-6joe: Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å PDB-6jof: Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å
化合物	ChemComp-HOH: WATER ChemComp-SAH: S-ADENOSYL-L-HOMOCYSTEINE / S-アデノシルホモシステイン ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-9D6: N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide ChemComp-9D0: N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide ChemComp-9D3: N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide ChemComp-SAM: S-ADENOSYLMETHIONINE ChemComp-BWR: ~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide ChemComp-PO4: PHOSPHATE ION / ホスファ-ト
由来	mycobacterium tuberculosis (strain cdc 1551 / oshkosh) (結核菌) mycobacterium tuberculosis h37rv (結核菌) mycobacterium tuberculosis cdc 1551 (結核菌) pseudomonas aeruginosa (緑膿菌) pseudomonas aeruginosa ucbpp-pa14 (緑膿菌)
キーワード	TRANSFERASE / tRNA methyltransferase / TRANSFERASE/INHIBITOR / TRANSFERASE-INHIBITOR complex