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A remarkable resorcin[4]arene-based [Co 12 ] supermolecule cage functionalized by bio-inspired [Co 4 O 4 ] cubanes was applied as an efficient visible light-driven water oxidation catalyst. [Display omitted] • 1 and 1-a assembled with two bio-inspired [Co 4 O 4 ] cubanes were synthesized. • 1 and 1-a feature efficient photocatalytic water oxidation activity under visible light irradiation. • The density functional theory (DFT) calculations demonstrate the high water oxidation activity of the [Co 4 O 4 ] cubanes in 1. The design and assembly of efficient water oxidation catalysts (WOCs) is quite desirable, but still remains a synthetic challenge. Herein, we researched remarkable calix[4]resorcinarene-based [Co 12 ] coordination cages with bio-inspired [Co 4 O 4 ] cubanes. Markedly, the coordination cage features efficient visible light-driven water oxidation activity, and represents a unique example of calix[4]resorcinarene-based [Co 4 O 4 ] cubane WOC. It afforded an optimal turnover number (TON) of 119, corresponding to a quite high turnover frequency (TOF) of 793 h−1 and an oxygen yield of 17.0%. A possible mechanism for the water oxidation reaction was also proposed by means of density functional theory (DFT) calculations. [ABSTRACT FROM AUTHOR]