Treatment of textile water containing organic molecules as contaminants still remains a challenge and has become a central issue for environment remediation. Here, a nucleotide incorporated zeolitic imidazolate frameworks (NZIF) featuring hierarchically porous structure served as a potential adsorbent for removal of organic dye molecules. Adsorption isotherms of organic dyes were accurately described by Langmuir adsorption model with correlation coefficients of 0.98 and kinetic data followed the pseudo-second-order model. The maximum adsorption capacity of NZIF for Congo red (CR) and methylene blue (MB) reached 769 and 10 mg/g, respectively, which were 6 and 5 times higher than that of ZIF-8. The adsorption behavior of sunset yellow and crystal violet was examined for mechanism investigation. Analysis of pore size, molecular size, zeta potential and FTIR measurement together revealed that mesopores in NZIF provided more interaction sites and led to enhanced adsorption capacity. Hydrogen bonding and π-π stacking which resulted from the interaction between introduced nucleotide monophosphate and dyes dominated the driving forces for adsorption, where electrostatic interaction was also involved. Moreover, the introduced nucleoside monophosphate enabled NZIF to function under acidic condition whereas ZIF-8 collapsed. This study opens a new avenue for design of porous materials for environment remediation.