7YDX

Crystal structure of human RIPK1 kinase domain in complex with compound RI-962

Summary for 7YDX

• Entry DOI: 10.2210/pdb7ydx/pdb
• Descriptor: Receptor-interacting serine/threonine-protein kinase 1, 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, ... (4 entities in total)
• Functional Keywords: ripk1, kinase, complex, inhibitor, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 68786.91

Authors

Zhang, L.,Wang, Y.,Li, Y.,Wu, C.,Luo, X.,Wang, T.,Lei, J.,Yang, S. (deposition date: 2022-07-04, release date: 2023-04-19, Last modification date: 2023-11-29)

• Primary citation: Li, Y.,Zhang, L.,Wang, Y.,Zou, J.,Yang, R.,Luo, X.,Wu, C.,Yang, W.,Tian, C.,Xu, H.,Wang, F.,Yang, X.,Li, L.,Yang, S.; Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.; Nat Commun, 13:6891-6891, 2022; PubMed: 36371441; DOI: 10.1038/s41467-022-34692-w

Experimental method

X-RAY DIFFRACTION (2.642 Å)