2025-08-23_00000141|ligand|9HGM

Structure of human DNMT2 with bound allosteric inhibitor; X-ray diffraction 2.60Å
Protein #1 348 residues (94% resolved)

GAMEPLRVLELYSGVGGMHHALRES(CSO)IPAQVVAAIDVNTVANEVYKYNFPHTQLLAKTIEGITLEEFDRLSFDMILMSPP(CSO)QPFTRIGRQGDMTDSRTNSFLHILDILPRLQKLPKYILLENVKGFEVSSTRDLLIQTIENCGFQYQEFLLSPTSLGIPNSRLRYFLIAKLQSEPLPFQAPGQVLMEFPKIESEIHRKNQQDSDLSVKMLKDFLEDDTDVNQYLLPPKSLLRYALLLDIVQPT(CSO)RRSVCFTKGYGSYIEGTGSVLQTAEDVQVENIYKSLTNLSQEEQITKLLILKLRYFTPKEIANLLGFPPEFGFPEKITVKQRYRLLGNSLNVHVVAKLIKILYE

GAMEPLRVLELYSGVGGMHHALRESCIPAQVVAAIDVNTVANEVYKYNFPHTQLLAKTIEGITLEEFDRLSFDMILMSPPCQPFTRIGRQGDMTDSRTNSFLHILDILPRLQKLPKYILLENVKGFEVSSTRDLLIQTIENCGFQYQEFLLSPTSLGIPNSRLRYFLIAKLQSEPLPFQAPGQVLMEFPKIESEIHRKNQQDSDLSVKMLKDFLEDDTDVNQYLLPPKSLLRYALLLDIVQPTCRRSVCFTKGYGSYIEGTGSVLQTAEDVQVENIYKSLTNLSQEEQITKLLILKLRYFTPKEIANLLGFPPEFGFPEKITVKQRYRLLGNSLNVHVVAKLIKILYE
Non polymer #2 A1IUL

InChI=1S/C29H35N5O4/c1-3-19-8-10-20(11-9-19)27(37)33-18-29(12-13-29)28(38)34-22(15-25(35)32-17-26(36)30-2)14-21-16-31-24-7-5-4-6-23(21)24/h4-11,16,22,31H,3,12-15,17-18H2,1-2H3,(H,30,36)(H,32,35)(H,33,37)(H,34,38)/t22-/m1/s1

CCc1ccc(cc1)C(=O)NCC2(CC2)C(=O)N[C@H](Cc3c[nH]c4c3cccc4)CC(=O)NCC(=O)NC
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Reference