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	New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
ジャーナル・号・ページ	Chemrxiv, Year 2023
掲載日	2023年2月21日 (構造データの登録日)
著者	Georgiou, C. / Espeland, L.O. / Bukya, H. / Yadrykhinsky, V. / Haug, B.E. / Mainkar, P. / Brenk, R.
リンク	Chemrxiv / PubMedで検索
手法	X線回折
解像度	1.57 - 2.1 Å
構造データ	PDB-8cn2: Pa.FabF-C164Q in complex with N-isobutyl-1H-pyrazole-3-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-8cn4: Pa.FabF-C164Q in complex with 5-acetamido-2-chlorobenzoic acid 手法: X-RAY DIFFRACTION / 解像度: 1.67 Å PDB-8cn5: Pa.FabF-C164Q in complex with propan-2-yl 1~{H}-pyrazole-3-carboxylate 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å PDB-8cn7: Pa.FabF-C164Q in complex with platencin 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-8cn8: apo Pseudomonas aeruginosa FabF C164A mutant 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-8cne: Pa.FabF-C164A in complex with N-(propan-2-yl)-1H-pyrazole-3-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.57 Å PDB-8cng: Pa.FabF-C164Q in complex with ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-8cou: Pa.FabF-C164Q in complex with 3-acetamido-4-methoxybenzoic acid 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-8cov: Pa.FabF-C164Q in complex with 6-chloro-2-methyl-1H-indole-5-carboxylic acid 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-8pd1: Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide 手法: X-RAY DIFFRACTION / 解像度: 1.87 Å PDB-8pfz: Pseudomonas aeruginosa FabF C164A mutant in complex with(S)-2-(1H-pyrazole-3-carboxamido)butanoic acid 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-8qer: Pseudomonas aeruginosa FabF C164A in complex with 4-(1H-pyrazole-3-carbonylamino)pentanoic acid 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-8qm1: wild type Pa.FabF in complex cerulenin 手法: X-RAY DIFFRACTION / 解像度: 1.91 Å
化合物	ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-V60: ~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide ChemComp-HOH: WATER ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-V5R: 5-acetamido-2-chloranyl-benzoic acid ChemComp-PO4: PHOSPHATE ION / ホスファ-ト ChemComp-V5K: propan-2-yl 1~{H}-pyrazole-3-carboxylate ChemComp-N32: 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid / プラテンシン ChemComp-Q5L: N-(propan-2-yl)-1H-pyrazole-3-carboxamide ChemComp-FMT: FORMIC ACID / ギ酸 ChemComp-V6L: ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide ChemComp-VCZ: 3-acetamido-4-methoxy-benzoic acid ChemComp-VBR: 6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid ChemComp-YHU: ~{N}-propan-2-yl-1~{H}-imidazole-4-carboxamide ChemComp-CL: Unknown entry / クロリド ChemComp-YQI: (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid ChemComp-UGL: (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-CER: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE / 抗真菌剤, 抗生剤YM
由来	pseudomonas aeruginosa (緑膿菌)
キーワード	TRANSFERASE / inhibitor / FabF / complex / platencin / antibiotic / protein-ligand complex / pseudomonas aeruginosa