6GIP

Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 2, 5-dimethyl core.

Summary for 6GIP

Entry DOI	10.2210/pdb6gip/pdb
Descriptor	Activin receptor type-1, 2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one, SULFATE ION, ... (5 entities in total)
Functional Keywords	kinase, bmp, inhibitor, signalling, signaling protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	35347.36
Authors	Williams, E.,Hudson, L.,Bezerra, G.A.,Sorrell, F.,Mathea, S.,Chen, Z.,Mahajan, P.,Kupinska, K.,Hoelder, S.,Burgess-Brown, N.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Bullock, A.N. (deposition date: 2018-05-14, release date: 2018-05-23, Last modification date: 2024-01-17)
Primary citation	Hudson, L.,Mui, J.,Vazquez, S.,Carvalho, D.M.,Williams, E.,Jones, C.,Bullock, A.N.,Hoelder, S. Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept. J. Med. Chem., 61:7261-7272, 2018 Cited by PubMed: 30085668 DOI: 10.1021/acs.jmedchem.8b00782 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.17 Å)

Structure validation