8C7Z

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308

Summary for 8C7Z

Entry DOI	10.2210/pdb8c7z/pdb
Descriptor	Activin receptor type I, AMMONIUM ION, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, ... (6 entities in total)
Functional Keywords	bmp signalling kinase inhibitor, signaling protein
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	36166.26
Authors	Cros, J.,Williams, E.P.,Sweeney, M.N.,Smil, D.,Gonzalez-Alvarez, H.,Al-awar, R.,Bullock, A.N. (deposition date: 2023-01-18, release date: 2023-02-01, Last modification date: 2024-08-14)
Primary citation	Gonzalez-Alvarez, H.,Ensan, D.,Xin, T.,Wong, J.F.,Zepeda-Velazquez, C.A.,Cros, J.,Sweeney, M.N.,Hoffer, L.,Kiyota, T.,Wilson, B.J.,Aman, A.,Roberts, O.,Isaac, M.B.,Bullock, A.N.,Smil, D.,Al-Awar, R. Discovery of Conformationally Constrained ALK2 Inhibitors. J.Med.Chem., 67:4707-4725, 2024 Cited by PubMed: 38498998 DOI: 10.1021/acs.jmedchem.3c02308 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.23 Å)

Structure validation