6GIN
Crystal structure of the ACVR1 (ALK2) kinase in complex with an Quinazolinone based ALK2 inhibitor with a 4-morpholinophenyl solvent accessible group.
Summary for 6GIN
Entry DOI | 10.2210/pdb6gin/pdb |
Descriptor | Activin receptor type-1, 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-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 | 2 |
Total formula weight | 70768.89 |
Authors | Williams, E.,Hudson, L.,Bezerra, G.A.,Kopec, J.,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: 30085668DOI: 10.1021/acs.jmedchem.8b00782 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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