タイトル | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. |
---|
ジャーナル・号・ページ | Nat Commun, Vol. 11, Page 6387-6387, Year 2020 |
---|
掲載日 | 2020年3月9日 (構造データの登録日) |
---|
著者 | Ferri, E. / Le Thomas, A. / Wallweber, H.A. / Day, E.S. / Walters, B.T. / Kaufman, S.E. / Braun, M.G. / Clark, K.R. / Beresini, M.H. / Mortara, K. ...Ferri, E. / Le Thomas, A. / Wallweber, H.A. / Day, E.S. / Walters, B.T. / Kaufman, S.E. / Braun, M.G. / Clark, K.R. / Beresini, M.H. / Mortara, K. / Chen, Y.A. / Canter, B. / Phung, W. / Liu, P.S. / Lammens, A. / Ashkenazi, A. / Rudolph, J. / Wang, W. |
---|
リンク | Nat Commun / PubMed:33318494 |
---|
手法 | X線回折 |
---|
解像度 | 1.736 - 2.737 Å |
---|
構造データ | PDB-6w39: Structure of unphosphorylated IRE1 in complex with G-1749 手法: X-RAY DIFFRACTION / 解像度: 1.736 Å PDB-6w3a: Structure of unphosphorylated IRE1 in complex with G-7658 手法: X-RAY DIFFRACTION / 解像度: 2.606 Å PDB-6w3b: Structure of apo unphosphorylated IRE1 手法: X-RAY DIFFRACTION / 解像度: 2.57 Å PDB-6w3c: Structure of phosphorylated apo IRE1 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6w3e: Structure of phosphorylated IRE1 in complex with G-0701 手法: X-RAY DIFFRACTION / 解像度: 2.737 Å PDB-6w3k: Structure of unphosphorylated human IRE1 bound to G-9807 手法: X-RAY DIFFRACTION / 解像度: 2.08 Å |
---|
化合物 | ChemComp-SJG: ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
ChemComp-SJM: ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide
ChemComp-SJV: methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
ChemComp-SJS: 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one
|
---|
由来 | homo sapiens (ヒト)
|
---|
キーワード | TRANSFERASE / kinase / UPR / TRANSFERASE/TRANSFERASE INHIBITOR / Inhibitor / allosteric activator / TRANSFERASE-TRANSFERASE INHIBITOR complex |
---|