2025-06-14_00000123|ligand|9FL4

compound 5b bound KMT9 crystal structure; X-ray diffraction 1.70Å
Protein #1 203 residues (96% resolved)

SHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGSGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVKGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFFPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETLSVLKFTKS

SHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGSGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVKGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFFPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETLSVLKFTKS
Protein #2 126 residues (94% resolved)

MGKLLTHNLLSSHVRGVGSRGFPLRLQATEVRICPVEFNPNFVARMIPKVEWSAFLEAADNLRLIQVPKGPVEGYEENEEFLRTMHHLLLEVEVIEGTLQCPESGRMFPISRGIPNMLLSEEETES

MGKLLTHNLLSSHVRGVGSRGFPLRLQATEVRICPVEFNPNFVARMIPKVEWSAFLEAADNLRLIQVPKGPVEGYEENEEFLRTMHHLLLEVEVIEGTLQCPESGRMFPISRGIPNMLLSEEETES
Non polymer #3 A1IC6

InChI=1S/C25H36N8O5/c26-17(25(36)37)8-12-32(11-4-9-28-10-7-16-5-2-1-3-6-16)13-18-20(34)21(35)24(38-18)33-15-31-19-22(27)29-14-30-23(19)33/h1-3,5-6,14-15,17-18,20-21,24,28,34-35H,4,7-13,26H2,(H,36,37)(H2,27,29,30)/t17-,18+,20+,21+,24+/m0/s1

c1ccc(cc1)CCNCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O
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Reference