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	Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
ジャーナル・号・ページ	Bioorg. Med. Chem., Vol. 27, Page 4013-4029, Year 2019
掲載日	2018年6月27日 (構造データの登録日)
著者	de Heuvel, E. / Singh, A.K. / Boronat, P. / Kooistra, A.J. / van der Meer, T. / Sadek, P. / Blaazer, A.R. / Shaner, N.C. / Bindels, D.S. / Caljon, G. ...de Heuvel, E. / Singh, A.K. / Boronat, P. / Kooistra, A.J. / van der Meer, T. / Sadek, P. / Blaazer, A.R. / Shaner, N.C. / Bindels, D.S. / Caljon, G. / Maes, L. / Sterk, G.J. / Siderius, M. / Oberholzer, M. / de Esch, I.J.P. / Brown, D.G. / Leurs, R.
リンク	Bioorg. Med. Chem. / PubMed:31378593
手法	X線回折
解像度	1.9 - 2.29 Å
構造データ	PDB-6gxq: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-6hwo: Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-6rb6: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-053 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6rcw: Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053 手法: X-RAY DIFFRACTION / 解像度: 2.08 Å PDB-6rfn: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1018 手法: X-RAY DIFFRACTION / 解像度: 2.29 Å PDB-6rfw: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1039 手法: X-RAY DIFFRACTION / 解像度: 2.183 Å PDB-6rgk: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-055 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å
化合物	ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-ZN: Unknown entry ChemComp-GAI: GUANIDINE / グアニジン ChemComp-FFZ: 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-HOH: WATER ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-PEG: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル ChemComp-EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES / pH緩衝剤YM ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-FMT: FORMIC ACID / ギ酸 ChemComp-JX2: 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide ChemComp-DTT: 2,3-DIHYDROXY-1,4-DITHIOBUTANE / L-DTT ChemComp-K3W: 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide ChemComp-K1Q: 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide ChemComp-K3N: 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide
由来	trypanosoma brucei (トリパノソーマ) homo sapiens (ヒト)
キーワード	HYDROLASE / Parasitic phosphodiesterase / African trypanosomiasis / sleeping sickness / phosphodiesterase / cAMP hydrolysis / alternative splicing