The Three-North Shelterbelt Forest Program (TNSFP) region in northern China, a critical ecological zone, has experienced significant changes in vegetation coverage and water availability under climate change. However, a comprehensive understanding of how vegetation growth responds to both water deficit and surplus remains limited. This study systematically assessed the spatiotemporal dynamics of vegetation responses to atmospheric water constraints (represented by the Standardized Precipitation Evapotranspiration Index (SPEI)) and soil moisture constraints (represented by the Standardized Soil Moisture Index (SSMI)) across the TNSFP region from 2001 to 2022. Our results revealed a compound water constraint pattern: soil moisture deficit dominated vegetation limitation across 46.41-67.88% of the region, particularly in the middle (28-100 cm) and deep (100-289 cm) layers, while atmospheric water surplus also substantially affected 37.35% of the area. From 2001 to 2022, vegetation has shown weakening correlations with atmospheric and shallow-soil moisture, but strengthening coupling with middle- and deep-soil moisture, indicating a growing dependence on deep water resources. Furthermore, the response times of vegetation to water deficit and water surplus have been reduced, indicating that vegetation growth was increasingly restricted by water deficit while being less constrained by water surplus during the period. Attribution analysis identified that air temperature exerted a stronger influence than precipitation on vegetation-water relationships over the study period. This study improved the understanding of vegetation-water interactions under combined climate and land use change, providing critical scientific support for land use-targeted adaptive management in arid and semi-arid regions.