8CIJ

CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one

Summary for 8CIJ

• Entry DOI: 10.2210/pdb8cij/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one (3 entities in total)
• Functional Keywords: protein kinase, signaling protein, transferase, map4k1, hematopoietic progenitor kinase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 34877.32

Authors

Musil, D.,Toure, M. (deposition date: 2023-02-09, release date: 2023-08-16)

• Primary citation: Toure, M.,Johnson, T.,Li, B.,Schmidt, R.,Ma, H.,Neagu, C.,Lopez, A.U.,Wang, Y.,Guler, S.,Xiao, Y.,Henkes, R.,Ho, K.,Zhang, S.,Chu, C.L.,Gundra, U.M.,Porichis, F.,Li, L.,Maurer, C.K.,Fang, Z.,Musil, D.,DiPoto, M.,Friis, E.,Jones, R.,Jones, C.,Cummings, J.,Chekler, E.,Tanzer, E.M.,Huck, B.,Sherer, B.; Discovery of quinazoline HPK1 inhibitors with high cellular potency.; Bioorg.Med.Chem., 92:117423-117423, 2023; PubMed: 37531921; DOI: 10.1016/j.bmc.2023.117423

Experimental method

X-RAY DIFFRACTION (2.821 Å)