This research explored the strutral relationships among leadership, organizational structure, psychological state, and athletic success. Utilizing a cross-sectional design, the study involved 312 athletes from diverse competitive backgrounds and sports. Resarch variables were assessed through the Multifactor Leadership Questionnaire, the Organizational Climate Measure, the Athlete Psychological State Inventory, and the Athlete Performance and Achievement Scale. Pearson correlation test and structural equation modeling were used to analyze the data. Pearson correlation analysis indicated significant positive relationships among all variables (r = 0.48–0.65, p < 0.01). Structural Equation Modeling indicated that both leadership (β = 0.53, p < 0.001) and organizational structure (β = 0.47, p < 0.001) were significant predictors of psychological state, which in turn was a strong predictor of sports success (β = 0.58, p < 0.001). Additionally, leadership and organizational structure had direct effects on sports success (β = 0.21, p = 0.004; β = 0.28, p < 0.001, respectively). Bootstrapping analyses further validated the partial mediating effect of psychological state between leadership/organizational structure and sports success. These results highlight the crucial interplay between leadership, organizational struture, and the sport success of athletes, suggesting practical applications such as enhancing transformational coaching, refining organizational frameworks, and incorporating psychological skills training to improve performance outcomes.