8PTA

JNK1 covalently bound to BD837 cyclohexenone based inhibitor

Summary for 8PTA

• Entry DOI: 10.2210/pdb8pta/pdb
• Descriptor: Mitogen-activated protein kinase 8, methyl (1R,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate, GLYCEROL, ... (4 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: 127967.72

Authors

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

• 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 (2.41 Å)