4W8D

Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06454589).

Summary for 4W8D

• Entry DOI: 10.2210/pdb4w8d/pdb
• Related: 4W8E
• Descriptor: Serine/threonine-protein kinase 24 36 kDa subunit, 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (3 entities in total)
• Functional Keywords: mst3, pyrrolopyrimidine, kinase, inhibitor, 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: 33239.09

Authors

Jasti, J.,Song, X.,Griffor, M.,Kurumbail, R.G. (deposition date: 2014-08-24, release date: 2015-03-18, Last modification date: 2023-12-27)

• 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 (1.77 Å)