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6C4D

Structure based design of RIP1 kinase inhibitors

Summary for 6C4D
Entry DOI10.2210/pdb6c4d/pdb
DescriptorReceptor-interacting serine/threonine-protein kinase 1, (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile (3 entities in total)
Functional Keywordshuman ripk1 kinase, cell cycle, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm: Q13546
Total number of polymer chains4
Total formula weight136230.65
Authors
Saikatendu, K.S.,Yoshikawa, M. (deposition date: 2018-01-11, release date: 2018-03-21, Last modification date: 2024-03-13)
Primary citationYoshikawa, M.,Saitoh, M.,Katoh, T.,Seki, T.,Bigi, S.V.,Shimizu, Y.,Ishii, T.,Okai, T.,Kuno, M.,Hattori, H.,Watanabe, E.,Saikatendu, K.S.,Zou, H.,Nakakariya, M.,Tatamiya, T.,Nakada, Y.,Yogo, T.
Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61:2384-2409, 2018
Cited by
PubMed: 29485864
DOI: 10.1021/acs.jmedchem.7b01647
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.52 Å)
Structure validation

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