7C3G

Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134

Summary for 7C3G

• Entry DOI: 10.2210/pdb7c3g/pdb
• Descriptor: Activin receptor type-1, ~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine, SULFATE ION, ... (5 entities in total)
• Functional Keywords: kinase, signaling protein, inhibitor complex
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 71881.70

Authors

Sakai, N.,Mishima-Tsumagari, C.,Matsumoto, T.,Shirouzu, M. (deposition date: 2020-05-12, release date: 2021-03-03, Last modification date: 2023-11-29)

• Primary citation: Yamamoto, H.,Sakai, N.,Ohte, S.,Sato, T.,Sekimata, K.,Matsumoto, T.,Nakamura, K.,Watanabe, H.,Mishima-Tsumagari, C.,Tanaka, A.,Hashizume, Y.,Honma, T.,Katagiri, T.,Miyazono, K.,Tomoda, H.,Shirouzu, M.,Koyama, H.; Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva.; Bioorg.Med.Chem.Lett., 38:127858-127858, 2021; PubMed: 33609658; DOI: 10.1016/j.bmcl.2021.127858

Experimental method

X-RAY DIFFRACTION (1.802 Å)