8UDT

The X-RAY co-crystal structure of human FGFR3 and KIN-3248

8UDT の概要

• エントリーDOI: 10.2210/pdb8udt/pdb
• 分子名称: Fibroblast growth factor receptor 3, D-MALATE, 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, ... (4 entities in total)
• 機能のキーワード: fgfr inhibitor, covalent drug, kin-3248, alteration, mutation, structure-based drug design, kinase inhibitor, signaling, proliferation, transferase, transferase-inhibitor complex, transferase/inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 103070.87

構造登録者

Tyhonas, J.S.,Arnold, L.D.,Cox, J.,Franovic, A.,Gardiner, E.,Grandinetti, K.,Kania, R.,Kanouni, T.,Lardy, M.,Li, C.,Martin, E.S.,Miller, N.,Mohan, A.,Murphy, E.A.,Perez, M.,Soroceanu, L.,Timple, N.,Uryu, S.,Womble, S.,Kaldor, S.W. (登録日: 2023-09-29, 公開日: 2024-02-07, 最終更新日: 2024-02-21)

• 主引用文献: Tyhonas, J.S.,Arnold, L.D.,Cox, J.M.,Franovic, A.,Gardiner, E.,Grandinetti, K.,Kania, R.,Kanouni, T.,Lardy, M.,Li, C.,Martin, E.S.,Miller, N.,Mohan, A.,Murphy, E.A.,Perez, M.,Soroceanu, L.,Timple, N.,Uryu, S.,Womble, S.,Kaldor, S.W.; Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.; J.Med.Chem., 67:1734-1746, 2024; PubMed: 38267212; DOI: 10.1021/acs.jmedchem.3c01819

実験手法

X-RAY DIFFRACTION (2.829 Å)