Index | Ligand Name | Structure | PDB code | ligand desolvation |
1 | wtc | Human phosphodiesterase 9 in complex with inhibitor | 3jsi | 87.55 |
2 | 49d | Crystal structure of phosphodiesterase 9 in complex with (S)-C33 | 4y8c | 86.94 |
3 | ibm | Crystal structure of PDE9A (E406A) mutant in complex with IBMX | 3n3z | 86.78 |
4 | 49d | Crystal structure of PDE9 in complex with racemic inhibitor C33 | 4y86 | 85.54 |
5 | pdb | Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691 | 3qi3 | 84.55 |
6 | pdb | Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691 | 3k3e | 84.52 |
7 | bye | Crystal structure of the PDE9A catalytic domain in complex with (S)-BAY73-6691 | 3k3h | 83.57 |
8 | ibm | Crystal structure of PDE9 in complex with IBMX | 2hd1 | 80.87 |
9 | 9q9 | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2 | 6a3n | 79.66 |
10 | jar | Human PDE9 in complex with selective inhibitor | 3jsw | 78.58 |
11 | ibm | Crystal structure of PDE9A(Q453E) in complex with IBMX | 3qi4 | 78.45 |
12 | 49e | Crystal structure of PDE9 in complex with racemic inhibitor C33 | 4y86 | 77.62 |
13 | 35o | phosphodiesterase-9A in complex with inhibitor WYQ-C36D | 4qge | 76.56 |
14 | 0wf | Human pde9 in complex with selective compound | 4g2j | 76.14 |
15 | ibm | Crystal structure of the human Phosphodiesterase 9A catalytic domain complexed with IBMX | 2yy2 | 75.07 |
16 | 7rg | Human phosphodiesterase 9 in complex with inhibitors | 4e90 | 74.2 |
17 | ibm | human phosphodiestrase-5'GMP complex (EP), produced by soaking with 20mM cGMP+20 mM MnCl2+20 mM MgCl2 for 2 hours, and flash-cooled to liquid nitrogen temperature when substrate was still abudant. | 3dys | 74.07 |
18 | 0wl | Human PDE9 in complex with selective compound | 4g2l | 73.69 |
19 | luo | Crystal structure of the PDE9A catalytic domain in complex with inhibitor 28 | 4gh6 | 72.22 |
20 | ibm | human phosphodiestrase 9 (inhibited by omitting divalent cation) in complex with cGMP | 3dyq | 69.95 |