5FDP

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

Summary for 5FDP

• Entry DOI: 10.2210/pdb5fdp/pdb
• Descriptor: 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)
• Functional Keywords: transferase, ddr1 kinase, inhibitors, structural genomics, psi-biology, structural genomics consortium, sgc
• Biological source: Homo sapiens (Human)
• Cellular location: 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
• Total number of polymer chains: 1
• Total formula weight: 39223.85

Authors

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) (deposition date: 2015-12-16, release date: 2016-06-08, Last modification date: 2024-01-10)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.25 Å)