8ELC

Human JNK2 bound to covalent inhibitor YL2056

Summary for 8ELC

• Entry DOI: 10.2210/pdb8elc/pdb
• Descriptor: Mitogen-activated protein kinase 9, 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide (3 entities in total)
• Functional Keywords: jnk2, yliu2056, kinase inhibitor, structure-based drug design, transferase, transferase-inhibitor complex, cell cycle, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 48783.67

Authors

Li, L.,Gurbani, D.,Westover, K.D. (deposition date: 2022-09-23, release date: 2023-06-28, Last modification date: 2023-10-25)

• Primary citation: Lu, W.,Liu, Y.,Gao, Y.,Geng, Q.,Gurbani, D.,Li, L.,Ficarro, S.B.,Meyer, C.J.,Sinha, D.,You, I.,Tse, J.,He, Z.,Ji, W.,Che, J.,Kim, A.Y.,Yu, T.,Wen, K.,Anderson, K.C.,Marto, J.A.,Westover, K.D.,Zhang, T.,Gray, N.S.; Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.; J.Med.Chem., 66:3356-3371, 2023; PubMed: 36826833; DOI: 10.1021/acs.jmedchem.2c01834

Experimental method

X-RAY DIFFRACTION (2.072 Å)