2026-07-04_00000178
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ligand
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9VO9
Co-crystal structure of MAP4K4 in complex with compound 16;
X-ray diffraction 2.75Å
Protein #1
304 residues (95% resolved)
Raw Sequence ...
AKSLVDIDLSSLRDPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDVTEDEEEEIKLEINMLKKYSHHRNIATYYGAFIKKSPPGHDDQLWLVMEFCGAGSITDLVKNTKGNTLKEDWIAYISREILRGLAHLHIHHVIHRDIKGQNVLLTENAEVKLVDFGVSAQLDRTVGRRNTFIGTPYWMAPEVIACDENPDATYDYRSDLWSCGITAIEMAEGAPPLCDMHPMRALFLIPRNPPPRLKSKKWSKKFFSFIEGCLVKNYMQRPSTEQLLKHPFIRDQPNERQVRIQLKDHIDRTR
Canonical Sequence ...
AKSLVDIDLSSLRDPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDVTEDEEEEIKLEINMLKKYSHHRNIATYYGAFIKKSPPGHDDQLWLVMEFCGAGSITDLVKNTKGNTLKEDWIAYISREILRGLAHLHIHHVIHRDIKGQNVLLTENAEVKLVDFGVSAQLDRTVGRRNTFIGTPYWMAPEVIACDENPDATYDYRSDLWSCGITAIEMAEGAPPLCDMHPMRALFLIPRNPPPRLKSKKWSKKFFSFIEGCLVKNYMQRPSTEQLLKHPFIRDQPNERQVRIQLKDHIDRTR
Non polymer #2
A1EUK
InChI=1S/C24H25BrN8O2S/c1-32-11-8-15-4-5-17(12-16(15)14-32)29-24-28-13-18(25)23(31-24)30-20-7-6-19-21(27-10-9-26-19)22(20)33(2)36(3,34)35/h4-7,9-10,12-13H,8,11,14H2,1-3H3,(H2,28,29,30,31)
InChI=1S/C24H25BrN8O2S/c1-32-11-8-15-4-5-17(12-16(15)14-32)29-24-28-13-18(25)23(31-24)30-20-7-6-19-21(27-10-9-26-19)22(20)33(2)36(3,34)35/h4-7,9-10,12-13H,8,11,14H2,1-3H3,(H2,28,29,30,31)
SMILES: CN1CCc2ccc(cc2C1)Nc3ncc(c(n3)Nc4ccc5c(c4N(C)S(=O)(=O)C)nccn5)Br
CN1CCc2ccc(cc2C1)Nc3ncc(c(n3)Nc4ccc5c(c4N(C)S(=O)(=O)C)nccn5)Br
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
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Model
Reference
100%