4U8Z

Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475)

Summary for 4U8Z

• Entry DOI: 10.2210/pdb4u8z/pdb
• Descriptor: Serine/threonine-protein kinase 24, MANGANESE (II) ION, 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, ... (4 entities in total)
• Functional Keywords: mst3, pyrrolopyrimidine, inhibitor, kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q9Y6E0
• Total number of polymer chains: 1
• Total formula weight: 33315.04

Authors

Jasti, J.,Song, X.,Griffor, M.,Kurumbail, R.G. (deposition date: 2014-08-05, release date: 2015-03-18, Last modification date: 2023-09-27)

• Primary citation: Henderson, J.L.,Kormos, B.L.,Hayward, M.M.,Coffman, K.J.,Jasti, J.,Kurumbail, R.G.,Wager, T.T.,Verhoest, P.R.,Noell, G.S.,Chen, Y.,Needle, E.,Berger, Z.,Steyn, S.J.,Houle, C.,Hirst, W.D.,Galatsis, P.; Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.; J.Med.Chem., 58:419-432, 2015; PubMed: 25353650; DOI: 10.1021/jm5014055

Experimental method

X-RAY DIFFRACTION (1.63 Å)