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	Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
ジャーナル・号・ページ	Plos Pathog., Vol. 19, Page e1011124-e1011124, Year 2023
掲載日	2021年7月4日 (構造データの登録日)
著者	Yogavel, M. / Bougdour, A. / Mishra, S. / Malhotra, N. / Chhibber-Goel, J. / Bellini, V. / Harlos, K. / Laleu, B. / Hakimi, M.A. / Sharma, A.
リンク	Plos Pathog. / PubMed:36854028
手法	X線回折
解像度	1.769 - 3.219 Å
構造データ	PDB-7f98: Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 手法: X-RAY DIFFRACTION / 解像度: 1.999 Å PDB-7f99: Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 手法: X-RAY DIFFRACTION / 解像度: 1.979 Å PDB-7f9a: Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L97 手法: X-RAY DIFFRACTION / 解像度: 1.999 Å PDB-7f9b: Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 手法: X-RAY DIFFRACTION / 解像度: 1.995 Å PDB-7f9c: Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 手法: X-RAY DIFFRACTION / 解像度: 2.196 Å PDB-7f9d: Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 手法: X-RAY DIFFRACTION / 解像度: 2.497 Å PDB-7fak: Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with L96 and L-pro 手法: X-RAY DIFFRACTION / 解像度: 1.899 Å PDB-7fal: Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with T36 and L-pro 手法: X-RAY DIFFRACTION / 解像度: 3.219 Å PDB-7fam: Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with L97 and L-pro 手法: X-RAY DIFFRACTION / 解像度: 2.42 Å PDB-7fan: Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with T35 and L-pro 手法: X-RAY DIFFRACTION / 解像度: 1.769 Å PDB-7vc1: Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and L-proline in space group P21 手法: X-RAY DIFFRACTION / 解像度: 1.892 Å PDB-7vc2: Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L96 and L-proline in space group P21 手法: X-RAY DIFFRACTION / 解像度: 2.096 Å PDB-7vc3: Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and L-proline at 1.97 A resolution 手法: X-RAY DIFFRACTION / 解像度: 1.973 Å
化合物	ChemComp-JE6: ~{N}-[4-[(3~{S})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide ChemComp-ZN: Unknown entry ChemComp-CA: Unknown entry / カルシウムジカチオン ChemComp-PRO: PROLINE / プロリン ChemComp-CL: Unknown entry / クロリド ChemComp-HOH: WATER ChemComp-1UI: 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide ChemComp-1XK: 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide ChemComp-MES: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID / 2-モルホリノエタンスルホン酸 / pH緩衝剤YM ChemComp-FMT: FORMIC ACID / ギ酸 ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-1T0: 4-[(3R)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide ChemComp-1TI: 4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-SO3: SULFITE ION / 亜硫酸アニオン ChemComp-ETA*: ETHANOLAMINE / エタノ-ルアミン
由来	homo sapiens (ヒト) toxoplasma gondii (トキソプラズマ)
キーワード	LIGASE / PROTEIN TRANSLATION / MALARIA / INHIBITOR / PRS / LIGASE/LIGASE INHIBITOR / LIGASE-LIGASE INHIBITOR complex / ATP POCKET / TRANSLATION/INHIBITOR / Inhibitor-Bound Structural Comparison / Multi-drug / TRANSLATION-INHIBITOR COMPLEX / TRANSLATION / DOUBLE DRUG