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	Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
ジャーナル・号・ページ	J. Med. Chem., Vol. 60, Page 2006-2017, Year 2017
掲載日	2016年10月4日 (構造データの登録日)
著者	Keune, W.J. / Potjewyd, F. / Heidebrecht, T. / Salgado-Polo, F. / Macdonald, S.J. / Chelvarajan, L. / Abdel Latif, A. / Soman, S. / Morris, A.J. / Watson, A.J. ...Keune, W.J. / Potjewyd, F. / Heidebrecht, T. / Salgado-Polo, F. / Macdonald, S.J. / Chelvarajan, L. / Abdel Latif, A. / Soman, S. / Morris, A.J. / Watson, A.J. / Jamieson, C. / Perrakis, A.
リンク	J. Med. Chem. / PubMed:28165241
手法	X線回折
解像度	1.95 - 2.4 Å
構造データ	PDB-5m0d: Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-5m0e: Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5m0m: Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5m0s: Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å
化合物	ChemComp-IOD: IODIDE ION ChemComp-ZN: Unknown entry ChemComp-CA: Unknown entry ChemComp-7C8: [3,5-bis(chloranyl)phenyl]methyl 4-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate ChemComp-NA: Unknown entry ChemComp-SCN: THIOCYANATE ION ChemComp-GOL: GLYCEROL ChemComp-HOH: WATER ChemComp-5JK: 7alpha-hydroxycholesterol ChemComp-7CR: [3,5-bis(chloranyl)phenyl]methyl 4-[(3~{R})-3-oxidanyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate ChemComp-7CF: [3,5-bis(chloranyl)phenyl]methyl (3~{R})-3-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate ChemComp-NKP: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate ChemComp-7CW: [3,5-bis(chloranyl)phenyl]methyl ~{N}-[2-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate
由来	rattus norvegicus (ドブネズミ)
キーワード	HYDROLASE / medicinal chemistry / structure based design / autotaxin