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-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
ジャーナル・号・ページ	J. Med. Chem., Vol. 57, Page 6479-, Year 2014
掲載日	2014年1月13日 (構造データの登録日)
著者	Khalaf, A.I. / Huggan, J.K. / Suckling, C.J. / Gibson, C.L. / Stewart, K. / Giordani, F. / Barrett, M.P. / Wong, P.E. / Barrack, K.L. / Hunter, W.N.
リンク	J. Med. Chem. / PubMed:25007262
手法	X線回折
解像度	1.7 - 2.2 Å
構造データ	PDB-4cl8: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-4cld: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.77 Å PDB-4cle: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-4clh: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-4clo: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-4clr: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-4clx: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-4cm1: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4cm3: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-4cm4: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.81 Å PDB-4cm5: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-4cm6: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-4cm7: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4cm8: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4cm9: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4cma: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-4cmb: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-4cmc: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-4cme: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-4cmg: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-4cmi: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-4cmj: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-4cmk: Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å
化合物	ChemComp-OZJ: 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile ChemComp-NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-HOH: WATER ChemComp-JUO: 2-amino-4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile ChemComp-JR2: 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine ChemComp-DTD: DITHIANE DIOL / 1,2-ジチアン-4α,5β-ジオ-ル ChemComp-W8G: 4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidin-2-amine ChemComp-XP0: 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine / 5-(フェニルエチニル)-4-ピロリジノ-7H-ピロロ[2,3-d]ピリミジン-2-アミン ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-FDB: 2-amino-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one ChemComp-Q0K: 2-amino-5-(p-tolyl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one ChemComp-DTT: 2,3-DIHYDROXY-1,4-DITHIOBUTANE / L-DTT ChemComp-IQW: 5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine ChemComp-DTU: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL / ジチオエリトリト-ル ChemComp-KP2: 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine / 5-フェニル-7H-ピロロ[2,3-d]ピリミジン-2,4-ジアミン ChemComp-4NR: 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine ChemComp-NWJ: 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile ChemComp-AOB: (E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile ChemComp-H0V: 5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine ChemComp-IZ9: (E)-2,4-diamino-6-(4-methylstyryl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile ChemComp-YGL: 2-amino-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one / 2-アミノ-5,6-ジフェニル-7H-ピロロ[2,3-d]ピリミジン-4(3H)-オン ChemComp-M2N: 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine / 5,6-ジフェニル-7H-ピロロ[2,3-d]ピリミジン-2,4-ジアミン ChemComp-UEN: N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine ChemComp-VS8: N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine ChemComp-KTZ: N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine ChemComp-UHX: 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine ChemComp-M4V: 2-amino-6-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one ChemComp-UIH: 6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine ChemComp-FQW: 2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
由来	trypanosoma brucei brucei (トリパノソーマ)
キーワード	OXIDOREDUCTASE / SHORT-CHAIN DEHYDROGENASE/REDUCTASE / PTR1 / TRANSFERASE