6W50

FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE

6W50 の概要

• エントリーDOI: 10.2210/pdb6w50/pdb
• 分子名称: Coagulation factor XI, methyl ((10R,14S)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: hydrolase, serine protease, blood coagulation factor, protein inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/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: 29132.32

構造登録者

Sheriff, S. (登録日: 2020-03-12, 公開日: 2020-06-10, 最終更新日: 2023-10-18)

• 主引用文献: Yang, W.,Wang, Y.,Lai, A.,Clark, C.G.,Corte, J.R.,Fang, T.,Gilligan, P.J.,Jeon, Y.,Pabbisetty, K.B.,Rampulla, R.A.,Mathur, A.,Kaspady, M.,Neithnadka, P.R.,Arumugam, A.,Raju, S.,Rossi, K.A.,Myers Jr., J.E.,Sheriff, S.,Lou, Z.,Zheng, J.J.,Chacko, S.A.,Bozarth, J.M.,Wu, Y.,Crain, E.J.,Wong, P.C.,Seiffert, D.A.,Luettgen, J.M.,Lam, P.Y.S.,Wexler, R.R.,Ewing, W.R.; Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.; J.Med.Chem., 63:7226-7242, 2020; PubMed: 32456431; DOI: 10.1021/acs.jmedchem.0c00464

実験手法

X-RAY DIFFRACTION (1.95 Å)