2026-02-14_00000184
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ligand
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9GEM
Crystal structure of NUDT14 complexed with novel compound MA12;
X-ray diffraction 2.02Å
Protein #1
222 residues (93% resolved)
Raw Sequence ...
MERIEGASVGRCAASPYLRPLTLHYRQNGAQKSWDFMKTHDSVTVLLFNSSRRSLVLVKQFRPAVYAGEVERRFPGSLAAVDQDGPRELQPALPGSAGVTVELCAGLVDQPGLSLEEVACKEAWEECGYHLAPSDLRRVATYWSGVGLTGSRQTMFYTEVTDAQRSGPGGGLVEEGELIEVVHLPLEGAQAFADDPDIPKTLGVIFGVSWFLSQVAPNLDLQ
Canonical Sequence ...
MERIEGASVGRCAASPYLRPLTLHYRQNGAQKSWDFMKTHDSVTVLLFNSSRRSLVLVKQFRPAVYAGEVERRFPGSLAAVDQDGPRELQPALPGSAGVTVELCAGLVDQPGLSLEEVACKEAWEECGYHLAPSDLRRVATYWSGVGLTGSRQTMFYTEVTDAQRSGPGGGLVEEGELIEVVHLPLEGAQAFADDPDIPKTLGVIFGVSWFLSQVAPNLDLQ
Non polymer #2
A1IJI
InChI=1S/C21H28N6O/c1-21(2,3)28-16-7-5-14(6-8-16)18-17-19(22)23-13-24-20(17)27(25-18)15-9-11-26(4)12-10-15/h5-8,13,15H,9-12H2,1-4H3,(H2,22,23,24)
InChI=1S/C21H28N6O/c1-21(2,3)28-16-7-5-14(6-8-16)18-17-19(22)23-13-24-20(17)27(25-18)15-9-11-26(4)12-10-15/h5-8,13,15H,9-12H2,1-4H3,(H2,22,23,24)
SMILES: CC(C)(C)Oc1ccc(cc1)c2c3c(ncnc3n(n2)C4CCN(CC4)C)N
CC(C)(C)Oc1ccc(cc1)c2c3c(ncnc3n(n2)C4CCN(CC4)C)N
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
Download coordinates
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Model
Reference
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