2026-09-19_00000117
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ligand
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35WJ
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with an inhibitor UNC7467;
X-ray diffraction 1.70Å
Protein #1
261 residues (90% resolved)
Raw Sequence ...
GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN
Canonical Sequence ...
GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN
Non polymer #2
A1DH7
InChI=1S/C20H13NO3/c22-20(23)16-10-11-18-17(12-16)19(24-21-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
InChI=1S/C20H13NO3/c22-20(23)16-10-11-18-17(12-16)19(24-21-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)
SMILES: c1ccc(cc1)c2ccc(cc2)c3c4cc(ccc4no3)C(=O)O
c1ccc(cc1)c2ccc(cc2)c3c4cc(ccc4no3)C(=O)O
Non polymer #3
BME
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CS)O
C(CS)O
Biounit #1
monomer
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Model
Reference
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