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 Cited by PubMed: 32787083DOI: 10.1021/acs.jmedchem.0c01199 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.42 Å) |
Structure validation
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