Index | Ligand Name | Structure | PDB code | ligand desolvation |
1 | adn | CRYSTAL STRUCTURE OF A POLYHISTIDINE-TAGGED RECOMBINANT CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH THE PEPTIDE INHIBITOR PKI(5-24) AND ADENOSINE | 1fmo | 96.73 |
2 | xfe | Human cyclic AMP-dependent protein kinase PKA inhibitor complex | 3mvj | 95.49 |
3 | l9n | crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | 3l9n | 94.54 |
4 | m05 | Structure of PKA-PKB chimera complexed with 4-(4-Chlorobenzyl)-1-(7H- pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-ylamine | 2vo6 | 94.49 |
5 | l9l | Crystal structure of pka with compound 36 | 3l9l | 94.19 |
6 | 4l7 | Protein Kinase A in complex with an Inhibitor | 4uja | 93.99 |
7 | m04 | Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine | 2vo3 | 93.89 |
8 | l9m | Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | 3l9m | 93.71 |
9 | s69 | human cAMP-dependent protein kinase in complex with an inhibitor | 3poo | 93.66 |
10 | s3n | Protein Kinase A in complex with an Inhibitor | 4uj9 | 93.52 |
11 | r69 | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | 1xh4 | 93.51 |
12 | r69 | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | 1xh9 | 93.49 |
13 | gvn | Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine | 2uw5 | 93.15 |
14 | nu3 | PKA-S6K1 Chimera with compound 1 (NU1085) bound | 4c35 | 92.92 |
15 | m01 | Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine | 2vnw | 92.82 |
16 | gvk | Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine | 2uw0 | 92.61 |
17 | 796 | Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies | 2gu8 | 92.26 |
18 | nvx | PKAB3 in complex with pyrrolidine inhibitor 34a | 4z84 | 91.6 |
19 | bd2 | Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 2 | 1re8 | 91.5 |
20 | r55 | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | 1xh8 | 91.44 |
21 | r94 | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | 1xh6 | 91.43 |
22 | 3sb | Human cAMP-dependent protein kinase in complex with an inhibitor | 3oxt | 91.42 |
23 | r68 | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | 1xha | 91.38 |
24 | r96 | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | 1xh7 | 91.25 |
25 | 47v | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2,5-dimethyl-N-pyridin-4-ylfuran-3-carboxamide | 5n1l | 91.25 |
26 | r68 | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | 1xh5 | 91.21 |
27 | ptv | Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone | 4ij9 | 91.1 |
28 | gvj | Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine | 2uvz | 90.86 |
29 | 9nt | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide | 5n1e | 90.51 |
30 | 8bq | Protein Kinase A in complex with an Inhibitor | 4ujb | 90.29 |
31 | b1l | Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 1 | 1rej | 90.02 |
32 | 35r | Protein kinase A mutants as surrogate model for Aurora B with AT9283 inhibitor | 5n23 | 89.63 |
33 | pzx | Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate | 4ie9 | 89.55 |
34 | nvx | Protein Kinase A in complex with an Inhibitor | 4uj1 | 89.5 |
35 | nvv | Protein Kinase A in complex with an Inhibitor | 4uj2 | 89.32 |
36 | ee4 | Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46 | 6c0u | 89.18 |
37 | ske | Protein kinase A sixfold mutant model of Aurora B with inhibitor JNJ-7706621 | 3ama | 88.79 |
38 | gvq | Structure of PKA-PKB chimera complexed with 2-(4-chloro-phenyl)-2- phenyl-ethylamine | 2uw8 | 88.53 |
39 | b8l | Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 8 | 1rek | 88.44 |
40 | 2sb | Human cAMP-dependent protein kinase in complex with an inhibitor | 3owp | 88.32 |
41 | gvo | Structure of PKA-PKB chimera complexed with (S)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine | 2uw6 | 88.02 |
42 | y27 | The Catalytic Subunit of cAMP-dependent Protein Kinase (PKA) in Complex with Rho-kinase Inhibitor Y-27632 | 1q8t | 87.89 |
43 | 9cy | Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor | 5vhb | 86.42 |
44 | l20 | Structure of cAMP-dependent protein kinase complexed with A-443654 | 2jds | 86.19 |
45 | 4sb | Human cAMP-dependent protein kinase in complex with an inhibitor | 3p0m | 85.82 |
46 | b99 | Structure of PKA with a protein Kinase B-selective inhibitor. | 3kkv | 85.76 |
47 | 8et | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-quinolin-5-ylpyridine-3-carboxamide | 5n1f | 85.45 |
48 | j0p | Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor | 6e9l | 85.26 |
49 | 2ea | PKA complexed with (S)-2-(1H-Indol-3-yl)-1-(5-isoquinolin-6-yl-pyridin-3-yloxymethyl-etylamine | 2f7e | 84.98 |
50 | l20 | PKA structures of indazole-pyridine series of AKT inhibitors | 2uzu | 84.92 |
51 | vx6 | Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680 | 3amb | 80.98 |
52 | 9d4 | Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors | 5vi9 | 78.65 |
53 | ss5 | PKA structures of indazole-pyridine series of AKT inhibitors | 2uzv | 78.08 |