6MT0

Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor

Summary for 6MT0

• Entry DOI: 10.2210/pdb6mt0/pdb
• Descriptor: Serine/threonine-protein kinase pim-1, 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, ... (4 entities in total)
• Functional Keywords: serine/threonine protein kinase, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 33652.09

Authors

Mohr, C. (deposition date: 2018-10-18, release date: 2019-01-16, Last modification date: 2024-03-13)

• Primary citation: Wang, H.L.,Andrews, K.L.,Booker, S.K.,Canon, J.,Cee, V.J.,Chavez Jr., F.,Chen, Y.,Eastwood, H.,Guerrero, N.,Herberich, B.,Hickman, D.,Lanman, B.A.,Laszlo 3rd., J.,Lee, M.R.,Lipford, J.R.,Mattson, B.,Mohr, C.,Nguyen, Y.,Norman, M.H.,Pettus, L.H.,Powers, D.,Reed, A.B.,Rex, K.,Sastri, C.,Tamayo, N.,Wang, P.,Winston, J.T.,Wu, B.,Wu, Q.,Wu, T.,Wurz, R.P.,Xu, Y.,Zhou, Y.,Tasker, A.S.; Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies.; J. Med. Chem., 62:1523-1540, 2019; PubMed: 30624936; DOI: 10.1021/acs.jmedchem.8b01733

Experimental method

X-RAY DIFFRACTION (2.2 Å)