6RLN

Crystal structure of RIP1 kinase in complex with GSK3145095

Summary for 6RLN

• Entry DOI: 10.2210/pdb6rln/pdb
• Descriptor: Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide (3 entities in total)
• Functional Keywords: inhibitor, complex, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 69988.54

Authors

Thorpe, J.H.,Harris, P.A. (deposition date: 2019-05-02, release date: 2019-07-03, Last modification date: 2024-01-24)

• Primary citation: Harris, P.A.,Marinis, J.M.,Lich, J.D.,Berger, S.B.,Chirala, A.,Cox, J.A.,Eidam, P.M.,Finger, J.N.,Gough, P.J.,Jeong, J.U.,Kang, J.,Kasparcova, V.,Leister, L.K.,Mahajan, M.K.,Miller, G.,Nagilla, R.,Ouellette, M.T.,Reilly, M.A.,Rendina, A.R.,Rivera, E.J.,Sun, H.H.,Thorpe, J.H.,Totoritis, R.D.,Wang, W.,Wu, D.,Zhang, D.,Bertin, J.,Marquis, R.W.; Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer.; Acs Med.Chem.Lett., 10:857-862, 2019; PubMed: 31223438; DOI: 10.1021/acsmedchemlett.9b00108

Experimental method

X-RAY DIFFRACTION (2.87 Å)