5FDP

Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.

5FDP の概要

• エントリーDOI: 10.2210/pdb5fdp/pdb
• 分子名称: Epithelial discoidin domain-containing receptor 1, (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, DI(HYDROXYETHYL)ETHER, ... (5 entities in total)
• 機能のキーワード: transferase, ddr1 kinase, inhibitors, structural genomics, psi-biology, structural genomics consortium, sgc
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Isoform 1: Cell membrane; Single-pass type I membrane protein. Isoform 2: Cell membrane; Single-pass type I membrane protein. Isoform 3: Secreted . Isoform 4: Cell membrane; Single-pass type I membrane protein: Q08345
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 39223.85

構造登録者

Bartual, S.G.,Pinkas, D.M.,Wang, Z.,Ding, K.,Mahajan, P.,Kupinska, K.,Mukhopadhyay, S.,Strain-Damerell, C.,Borkowska, O.,Talon, R.,Kopec, J.,Williams, E.,Tallant, C.,Chaikuad, A.,Sorell, F.,Newman, J.,Burgess-Brown, N.,Arrowsmith, C.H.,von Delft, F.,Edwards, A.M.,Bountra, C.,Bullock, A.,Structural Genomics Consortium (SGC) (登録日: 2015-12-16, 公開日: 2016-06-08, 最終更新日: 2024-01-10)

• 主引用文献: Wang, Z.,Bian, H.,Bartual, S.G.,Du, W.,Luo, J.,Zhao, H.,Zhang, S.,Mo, C.,Zhou, Y.,Xu, Y.,Tu, Z.,Ren, X.,Lu, X.,Brekken, R.A.,Yao, L.,Bullock, A.N.,Su, J.,Ding, K.; Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.; J.Med.Chem., 59:5911-5916, 2016; PubMed: 27219676; DOI: 10.1021/acs.jmedchem.6b00140

実験手法

X-RAY DIFFRACTION (2.25 Å)