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-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
ジャーナル・号・ページ	Bioorg. Med. Chem., Vol. 29, Page 115902-115902, Year 2020
掲載日	2019年12月12日 (構造データの登録日)
著者	Ma, G. / Wang, S. / Wu, K. / Zhang, W. / Ahmad, A. / Hao, Q. / Lei, X. / Zhang, H.
リンク	Bioorg. Med. Chem. / PubMed:33302045
手法	X線回折
解像度	0.98 - 1.4 Å
構造データ	PDB-6lip: Crystal structure of NDM-1 in complex with D-captopril derivative wss0218 手法: X-RAY DIFFRACTION / 解像度: 0.98 Å PDB-6liz: Crystal structure of NDM-1 in complex with D-captopril derivative wss02120 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-6lj0: Crystal structure of NDM-1 in complex with D-captopril derivative wss02122 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å PDB-6lj1: Crystal structure of NDM-1 in complex with D-captopril derivative wss02127 monomer 手法: X-RAY DIFFRACTION / 解像度: 1.151 Å PDB-6lj2: Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127 stereoisomer 手法: X-RAY DIFFRACTION / 解像度: 1.35 Å PDB-6lj4: Crystal structure of NDM-1 in complex with D-captopril derivative wss04146 手法: X-RAY DIFFRACTION / 解像度: 1.15 Å PDB-6lj5: Crystal structure of NDM-1 in complex with D-captopril derivative wss04145 手法: X-RAY DIFFRACTION / 解像度: 1.26 Å PDB-6lj6: Crystal structure of NDM-1 in complex with D-captopril derivative wss05008 手法: X-RAY DIFFRACTION / 解像度: 1.27 Å PDB-6lj7: Crystal structure of NDM-1 in complex with D-captopril derivative wss05010 手法: X-RAY DIFFRACTION / 解像度: 1.16 Å PDB-6lj8: Crystal structure of NDM-1 in complex with D-captopril derivative wss04134 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-EEL: (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid ChemComp-HOH: WATER ChemComp-EEO: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid ChemComp-EER: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid ChemComp-EEX: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid ChemComp-OH: HYDROXIDE ION / ヒドロキシド ChemComp-EKX: (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid ChemComp-EF9: (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-EF0: 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid ChemComp-EFF: 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide ChemComp-EFR: 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide ChemComp-EG0: 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid
由来	klebsiella pneumoniae (肺炎桿菌)
キーワード	HYDROLASE / NDM-1 / metallo-beta-lactamase / antibiotic resistent / inhibitor / thio compounds / ANTIBIOTIC