タイトル | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. |
---|
ジャーナル・号・ページ | Angew. Chem. Int. Ed. Engl., Vol. 57, Page 7220-7224, Year 2018 |
---|
掲載日 | 2018年3月24日 (構造データの登録日) |
---|
著者 | Heroven, C. / Georgi, V. / Ganotra, G.K. / Brennan, P. / Wolfreys, F. / Wade, R.C. / Fernandez-Montalvan, A.E. / Chaikuad, A. / Knapp, S. |
---|
リンク | Angew. Chem. Int. Ed. Engl. / PubMed:29601130 |
---|
手法 | X線回折 |
---|
解像度 | 1.43 - 2.05 Å |
---|
構造データ | PDB-6g33: Crystal structure of CLK1 in complex with 5-iodotubercidin 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-6g34: Crystal structure of haspin in complex with 5-iodotubercidin 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å PDB-6g35: Crystal structure of haspin in complex with 5-bromotubercidin 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-6g36: Crystal structure of haspin in complex with 5-chlorotubercidin 手法: X-RAY DIFFRACTION / 解像度: 1.46 Å PDB-6g37: Crystal structure of haspin in complex with 5-fluorotubercidin 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-6g38: Crystal structure of haspin in complex with tubercidin 手法: X-RAY DIFFRACTION / 解像度: 1.47 Å PDB-6g39: Crystal structure of haspin F605Y mutant in complex with 5-iodotubercidin 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-6g3a: Crystal structure of haspin F605T mutant in complex with 5-iodotubercidin 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å |
---|
化合物 | ChemComp-5ID: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL / 5-ヨ-ドツベルシジン
ChemComp-EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES / pH緩衝剤*YM
ChemComp-TBN: '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL / ツベルシジン
|
---|
由来 | homo sapiens (ヒト)
|
---|
キーワード | TRANSFERASE / kinase / inhibitors / slow off-rate / kinetics / Structural Genomics / Structural Genomics Consortium / SGC / halogen |
---|