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-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
ジャーナル・号・ページ	J. Med. Chem., Vol. 62, Page 9792-9805, Year 2019
掲載日	2019年5月15日 (構造データの登録日)
著者	Rajput, S. / McLean, K.J. / Poddar, H. / Selvam, I.R. / Nagalingam, G. / Triccas, J.A. / Levy, C.W. / Munro, A.W. / Hutton, C.A.
リンク	J. Med. Chem. / PubMed:31618032
手法	X線回折
解像度	1.37 - 1.6 Å
構造データ	PDB-6rq0: CYP121 in complex with 3-methyl dicyclotyrosine 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-6rq1: CYP121 in complex with 2-methyl dicyclotyrosine 手法: X-RAY DIFFRACTION / 解像度: 1.49 Å PDB-6rq3: CYP121 in complex with 2,6-dimethyl dicyclotyrosine 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6rq5: CYP121 in complex with 3,5-dimethyl dicyclotyrosine 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-6rq6: CYP121 in complex with 3-fluoro dicyclotyrosine 手法: X-RAY DIFFRACTION / 解像度: 1.42 Å PDB-6rq8: CYP121 in complex with 3-iodo dicyclotyrosine 手法: X-RAY DIFFRACTION / 解像度: 1.41 Å PDB-6rq9: CYP121 in complex with O-methyl dicyclotyrosine 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-6rqb: CYP121 in complex with 3-bromo dicyclotyrosine 手法: X-RAY DIFFRACTION / 解像度: 1.459 Å PDB-6rqd: CYP121 in complex with 3-chloro dicyclotyrosine 手法: X-RAY DIFFRACTION / 解像度: 1.499 Å PDB-6rqe: CYP121 in complex with 3-acetylene dicyclotyrosine 手法: X-RAY DIFFRACTION / 解像度: 1.37 Å
化合物	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-HEM: PROTOPORPHYRIN IX CONTAINING FE ChemComp-KE2: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-HOH: WATER ChemComp-KE5: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione ChemComp-OUC: (3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione ChemComp-KEB: (3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione ChemComp-R2H: 3-fluoro dicyclotyrosine ChemComp-KEH: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione ChemComp-KEQ: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione ChemComp-Q47: 3-bromo dicyclotyrosine ChemComp-KEW: (3~{S},6~{S})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione ChemComp-KEZ*: 3-acetylene dicyclotyrosine
由来	mycobacterium tuberculosis (結核菌)
キーワード	OXIDOREDUCTASE / CYP121 / P450 / dicyclotyrosine derivatives / heme