8PT9

JNK1 covalently bound to BD838 cyclohexenone based inhibitor

Summary for 8PT9

• Entry DOI: 10.2210/pdb8pt9/pdb
• Descriptor: Mitogen-activated protein kinase 8, methyl (1S,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate (3 entities in total)
• Functional Keywords: mapk kinase, mapk, inhibitor, covalent, jnk, signaling protein, michael acceptor warhead
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 3
• Total formula weight: 127875.63

Authors

Sok, P.,Poti, A.,Remenyi, A. (deposition date: 2023-07-13, release date: 2024-07-24, Last modification date: 2024-10-09)

• Primary citation: Sok, P.,Poti, A.,Balint, D.,Remenyi, A.,Soos, T.; Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.7 Å)