2026-10-03_00000001|ligand|10OT

Crystal structure of mouse CD38 in complex with compound 6; X-ray diffraction 2.15Å
Protein #1 263 residues (95% resolved)

RSLLVWTGEPTTKHFSDIFLGRCLIYTQILRPEMRDQNCQEILSTFKGAFVSKNPCDITREDYAPLVKLVTQTIPCDKTLFWSKSKHLAHQYTWIQGKMFTLEDTLLGYIADDLRWCGDPSTSDMNYVSCPHWSENCPNNPITVFWKVISQKFAEDACGVVQVMLDGSLREPFYKDSTFGSVQVFSLDPNKVHKLQAWVMHDIEGASSNACSSSSLNELKMIVQKRNMIFACVDNYRPARFLQCVKNPEHPSCRLNTLEVLFQ

RSLLVWTGEPTTKHFSDIFLGRCLIYTQILRPEMRDQNCQEILSTFKGAFVSKNPCDITREDYAPLVKLVTQTIPCDKTLFWSKSKHLAHQYTWIQGKMFTLEDTLLGYIADDLRWCGDPSTSDMNYVSCPHWSENCPNNPITVFWKVISQKFAEDACGVVQVMLDGSLREPFYKDSTFGSVQVFSLDPNKVHKLQAWVMHDIEGASSNACSSSSLNELKMIVQKRNMIFACVDNYRPARFLQCVKNPEHPSCRLNTLEVLFQ
Non polymer #2 A1C64

InChI=1S/C28H33N11O15P2S/c29-24-19-25(32-11-31-24)38(12-33-19)27-23(43)21(41)18(53-27)10-51-56(46,47)54-55(44,45)50-9-17-20(40)22(42)26(52-17)36-5-6-37(13-36)28-30-4-3-16(35-28)14-7-34-39(8-14)57(48,49)15-1-2-15/h3-8,11-13,15,17-18,20-23,26-27,40-43H,1-2,9-10H2,(H3-,29,31,32,44,45,46,47)/p+1/t17-,18-,20-,21-,22-,23-,26-,27-/m1/s1

c1cnc(nc1c2cnn(c2)S(=O)(=O)C3CC3)[n+]4ccn(c4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O
Non polymer #3 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

CC(=O)[O-]
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Reference