7RT3

Crystal Structure of KRAS G12D with compound 24 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound

7RT3 の概要

• エントリーDOI: 10.2210/pdb7rt3/pdb
• 関連するPDBエントリー: 7RPZ
• 分子名称: Isoform 2B of GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, ... (5 entities in total)
• 機能のキーワード: oncoprotein, g12d, gtpase, kras, oncology, kras4b, mrtx-1133, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 20390.86

構造登録者

Gunn, R.J.,Thomas, N.C.,Xiaolun, W.,Lawson, J.D.,Marx, M.A. (登録日: 2021-08-12, 公開日: 2021-12-22, 最終更新日: 2024-03-06)

• 主引用文献: Wang, X.,Allen, S.,Blake, J.F.,Bowcut, V.,Briere, D.M.,Calinisan, A.,Dahlke, J.R.,Fell, J.B.,Fischer, J.P.,Gunn, R.J.,Hallin, J.,Laguer, J.,Lawson, J.D.,Medwid, J.,Newhouse, B.,Nguyen, P.,O'Leary, J.M.,Olson, P.,Pajk, S.,Rahbaek, L.,Rodriguez, M.,Smith, C.R.,Tang, T.P.,Thomas, N.C.,Vanderpool, D.,Vigers, G.P.,Christensen, J.G.,Marx, M.A.; Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.; J.Med.Chem., 65:3123-3133, 2022; PubMed: 34889605; DOI: 10.1021/acs.jmedchem.1c01688

実験手法

X-RAY DIFFRACTION (1.56 Å)