| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | o1c | Crystal structure of VDR LBD in complex with 2alpha(3-hydroxy-1-propyl) calcitriol | 2hb7 | 99.74 |
| 2 | ds5 | Crystal Structure Analysis of Vitamin D receptor | 3w0a | 99.68 |
| 3 | 6ds | Crystal Structure Analysis of Vitamin D receptor | 3w0c | 99.68 |
| 4 | tey | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(2H-tetrazol-2-yl)ethyl]vitamin D3 | 4ite | 99.61 |
| 5 | 90l | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2R,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | 5ysy | 99.58 |
| 6 | vhw | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 4-MP | 3vhw | 99.58 |
| 7 | tfy | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(1H-tetrazole-1-yl)ethyl]vitamin D3 | 4itf | 99.54 |
| 8 | occ | Crystal structure of VDR LBD in complex with 2 alpha-(3-hydroxy-1-propoxy) calcitriol | 2har | 99.48 |
| 9 | ds4 | Crystal Structure Analysis of Vitamin D receptor | 3w0y | 99.46 |
| 10 | c33 | Crystal structure of VDR LBD complexed to 2alpha-propyl-calcitriol | 2ham | 99.45 |
| 11 | 90o | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | 5yt2 | 99.44 |
| 12 | c3o | Crystal structure of VDR LBD in complex with 2alpha-(1-propoxy) calcitriol | 2has | 99.39 |
| 13 | 3ev | Crystal structure of the human VDR ligand binding domain bound to the natural metabolite 1alpha,25-dihydroxy-3-epi-vitamin D3 | 3a78 | 99.34 |
| 14 | 2kb | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R,5Z,7E,14beta,17alpha)-2-cyanopropoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol | 5gt4 | 99.34 |
| 15 | ed9 | Crystal Structure Analysis of Vitamin D receptor | 3wgp | 99.33 |
| 16 | 2mv | Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277A(C23S) | 3a3z | 99.32 |
| 17 | vdx | Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to MC1288 | 1ie9 | 99.29 |
| 18 | ds2 | Crystal Structure Analysis of Vitamin D receptor | 3az1 | 99.29 |
| 19 | 23r | Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277B(C23R) | 3a40 | 99.25 |
| 20 | kh1 | Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to KH1060 | 1ie8 | 99.2 |
| 21 | cov | Structure-based design of a superagonist ligand for the vitamin D nuclear receptor | 3cs4 | 99.15 |
| 22 | eb1 | Crystal structure of the VDR LBD complexed to seocalcitol. | 1s0z | 99.15 |
| 23 | 0co | Structure-based design of a superagonist ligand for the vitamin D nuclear receptor | 3cs6 | 99.15 |
| 24 | mcz | Human VDR ligand binding domain in complex with maxacalcitol | 3b0t | 99.14 |
| 25 | 41w | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 7,8-cis-1a,25-Dihydroxy-19-norvitamin D3 | 3x36 | 99.13 |
| 26 | mvd | Crystal structure of VDR LBD in complex with 2alpha-methyl calcitriol | 2hb8 | 99.12 |
| 27 | fmv | Design, Chemical synthesis, Functional characterization and Crystal structure of the sidechain analogue of 1,25-dihydroxyvitamin D3. | 3ogt | 99.09 |
| 28 | fmv | Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains | 3tkc | 99.07 |
| 29 | 41v | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 7,8-cis-14-epi-1a,25-Dihydroxy-19-norvitamin D3 | 3x31 | 99.07 |
| 30 | 8vm | Crystal structure of human vitamin D receptor ligand binding domain in complex with a VDRM | 5v39 | 99.04 |
| 31 | ds3 | Crystal Structure Analysis of Vitamin D receptor | 3az2 | 98.98 |
| 32 | ca9 | Crystal structure of the human vitamin D receptor ligand binding domain complexed with Yne-diene type analog of active 14-epi-2alpha-methyl-19-norvitamin D3 | 3auq | 98.93 |
| 33 | zne | Crystal structure of a novel vitamin D3 analogue, ZK203278 showing dissociated profile | 3kpz | 98.93 |
| 34 | vdx | CRYSTAL STRUCTURE OF THE NUCLEAR RECEPTOR FOR VITAMIN D COMPLEXED TO VITAMIN D | 1db1 | 98.92 |
| 35 | tej | Crystal structure of the human vitamin D receptor (H305F/H397F) ligand binding domain complexed with TEI-9647 | 3a2j | 98.89 |
| 36 | eim | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 15alpha-methoxy-1alpha,25-dihydroxyvitamin D3 | 3ax8 | 98.8 |
| 37 | mc9 | Crystal structure of VDR ligand binding domain complexed to calcipotriol. | 1s19 | 98.78 |
| 38 | zyd | Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18 | 3p8x | 98.63 |
| 39 | vdx | Crystal structure of VDR H305Q mutant | 3m7r | 98.48 |
| 40 | ca9 | Crystal structure of the human vitamin D receptor ligand binding domain complexed with Yne-diene type analog of active 14-epi-2beta-methyl-19-norvitamin D3 | 3aur | 98.41 |
| 41 | tx5 | Crystal structure of the vdr ligand binding domain complexed to TX522 | 1txi | 98.17 |