6SZM

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009

Summary for 6SZM

• Entry DOI: 10.2210/pdb6szm/pdb
• Descriptor: Activin receptor type I, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, SULFATE ION, ... (7 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: 71764.29

Authors

Adamson, R.J.,Williams, E.P.,Smil, D.,Burgess-Brown, N.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Bullock, A.N. (deposition date: 2019-10-02, release date: 2019-10-16, Last modification date: 2024-01-24)

• Primary citation: Smil, D.,Wong, J.F.,Williams, E.P.,Adamson, R.J.,Howarth, A.,McLeod, D.A.,Mamai, A.,Kim, S.,Wilson, B.J.,Kiyota, T.,Aman, A.,Owen, J.,Poda, G.,Horiuchi, K.Y.,Kuznetsova, E.,Ma, H.,Hamblin, J.N.,Cramp, S.,Roberts, O.G.,Edwards, A.M.,Uehling, D.,Al-Awar, R.,Bullock, A.N.,O'Meara, J.A.,Isaac, M.B.; Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.; J.Med.Chem., 63:10061-10085, 2020; PubMed: 32787083; DOI: 10.1021/acs.jmedchem.0c01199

Experimental method

X-RAY DIFFRACTION (1.42 Å)