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(A) Binding mode 2 of SYSU-ID-01 bound to one subunit of NM23-H2. (B) Binding mode of dinucleotide binding to NM23-H2. (C) Binding mode 2 of SYSU-ID-01 bound to NM23-H2, indicating hydrogen bonding to ASP54, HIS118 and ASP121, and π–π stacking with PHE60.
