8PAS

Crystal structure of MAP4K1 with a SMOL inhibitor

Summary for 8PAS

• Entry DOI: 10.2210/pdb8pas/pdb
• Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide (2 entities in total)
• Functional Keywords: kinase, inhibitor, drug discovery, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 65866.43

Authors

Friberg, A. (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 (2.7 Å)