2026-06-06_00000298
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ligand
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9YSO
Human DCTPP1 bound to a Class II inhibitor;
X-ray diffraction 1.70Å
Protein #1
110 residues (100% resolved)
Raw Sequence ...
GRFSFSPEPTLEDIRRLHAEFAAERDWEQFHQPRNLLLALVGEVGELAELFQWKTDGEPGPQGWSPRERAALQEELSDVLIYLVALAARCRVDLPLAVLSKMDINRRRYP
Canonical Sequence ...
GRFSFSPEPTLEDIRRLHAEFAAERDWEQFHQPRNLLLALVGEVGELAELFQWKTDGEPGPQGWSPRERAALQEELSDVLIYLVALAARCRVDLPLAVLSKMDINRRRYP
Non polymer #2
A1C0D
InChI=1S/C19H23N7O3/c1-12(2)17-21-18(29-23-17)15-11-26(24-22-15)14-5-4-8-25(10-14)19(27)13-6-7-16(28-3)20-9-13/h6-7,9,11-12,14H,4-5,8,10H2,1-3H3/t14-/m0/s1
InChI=1S/C19H23N7O3/c1-12(2)17-21-18(29-23-17)15-11-26(24-22-15)14-5-4-8-25(10-14)19(27)13-6-7-16(28-3)20-9-13/h6-7,9,11-12,14H,4-5,8,10H2,1-3H3/t14-/m0/s1
SMILES: CC(C)c1nc(on1)c2cn(nn2)[C@H]3CCCN(C3)C(=O)c4ccc(nc4)OC
CC(C)c1nc(on1)c2cn(nn2)[C@H]3CCCN(C3)C(=O)c4ccc(nc4)OC
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #4
PRO
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
SMILES: C1C[C@H](NC1)C(=O)O
C1C[C@H](NC1)C(=O)O
Biounit #1
homo-tetramer
Download coordinates
Biounit #2
homo-tetramer
Download coordinates
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Model
Reference
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