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	Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
ジャーナル・号・ページ	J. Med. Chem., Vol. 61, Page 3870-3888, Year 2018
掲載日	2016年4月7日 (構造データの登録日)
著者	Blaazer, A.R. / Singh, A.K. / de Heuvel, E. / Edink, E. / Orrling, K.M. / Veerman, J.J.N. / van den Bergh, T. / Jansen, C. / Balasubramaniam, E. / Mooij, W.J. ...Blaazer, A.R. / Singh, A.K. / de Heuvel, E. / Edink, E. / Orrling, K.M. / Veerman, J.J.N. / van den Bergh, T. / Jansen, C. / Balasubramaniam, E. / Mooij, W.J. / Custers, H. / Sijm, M. / Tagoe, D.N.A. / Kalejaiye, T.D. / Munday, J.C. / Tenor, H. / Matheeussen, A. / Wijtmans, M. / Siderius, M. / de Graaf, C. / Maes, L. / de Koning, H.P. / Bailey, D.S. / Sterk, G.J. / de Esch, I.J.P. / Brown, D.G. / Leurs, R.
リンク	J. Med. Chem. / PubMed:29672041
手法	X線回折
解像度	1.73 - 2.4 Å
構造データ	PDB-5g2b: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-5g57: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-001 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-5g5v: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-5l8c: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-5l8y: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å PDB-5l9h: Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-5laq: Crystal structure of human phosphodiesterase 4B catalytic domain with inhibitor NPD-001 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-5lbo: Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-001 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å
化合物	ChemComp-ZN: Unknown entry ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-LQY: N-(2-amino-2-oxoethyl)-5'-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide ChemComp-FMT: FORMIC ACID / ギ酸 ChemComp-GAI: GUANIDINE / グアニジン ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-HOH: WATER ChemComp-PEG: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル ChemComp-6M5: (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one / 3-シクロヘプチル-4aβ,5,8,8aβ-テトラヒドロ-1-[3-[4-[4-(2H-テトラゾ-ル-5-イル)フェノ(以下略) ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-8Z4: (4AS,8AR)-4-(3-{4-[(3R)-3-HYDROXYPYRROLIDINE-1- ChemComp-908: 4-[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-azanyl-2-oxidanylidene-ethyl)benzamide ChemComp-CVA: 2-[(4-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-N-(2-hydroxyethyl)acetamide ChemComp-CVL: 5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one / VFU-13524 ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-DTT: 2,3-DIHYDROXY-1,4-DITHIOBUTANE / L-DTT ChemComp-EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES / pH緩衝剤*YM
由来	trypanosoma brucei (トリパノソーマ) homo sapiens (ヒト)
キーワード	HYDROLASE / PARASITIC PDE / AFRICAN TRYPANOSOMIASIS / SLEEPING SICKNESS / Phosphodiesterase / cAMP / alternative splicing / cAMP hydrolysis