2024-12-07_00000189|ligand|8V6W

Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 1; X-ray diffraction 1.95Å
Protein #1 261 residues (91% resolved)

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN

GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN
Non polymer #2 YHE

InChI=1S/C18H15NO3/c1-11-7-12(2)9-14(8-11)18-15-10-13(4-6-17(20)21)3-5-16(15)19-22-18/h3-10H,1-2H3,(H,20,21)/b6-4+

Cc1cc(cc(c1)c2c3cc(ccc3no2)/C=C/C(=O)O)C
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Reference