8PAR

Crystal structure of human MAP4K1 with an inhibitor, BAY-405

Summary for 8PAR

• Entry DOI: 10.2210/pdb8par/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, GLYCEROL, ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine, ... (4 entities in total)
• Functional Keywords: kinase, inhibitor, drug discovery, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 35032.37

Authors

Schaefer, M. (deposition date: 2023-06-08, release date: 2024-06-26)

• Primary citation: Mowat, J.,Carretero, R.,Leder, G.,Aiguabella Font, N.,Neuhaus, R.,Berndt, S.,Guenther, J.,Friberg, A.,Schaefer, M.,Briem, H.,Raschke, M.,Miyatake Ondozabal, H.,Buchmann, B.,Boemer, U.,Hartung, I.,Offringa, R.; Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405; To Be Published,

Experimental method

X-RAY DIFFRACTION (2 Å)