Table 4 Structures used in protein-ligand and protein-protein pocket analysis
Target protein (PDB id of apo structure) | Inhibitor (PDB id) | Protein partner (PDB id) |
|---|---|---|
Bcl-X L ) | acyl sulfonamide derivative | Bak |
(1LXL) | (1YSI) | (1BXL) |
MDM2 | benzodiazapine derivative | p53 |
(1Z1M) | (1T4E) | (1YCR) |
Xiap apoptosis inhibitor | naphthalenamide derivative | Caspase 9 |
Bir3 domain (1F9X) | (1TFQ) | (1NW9) |
Xiap apoptosis inhibitor | Smac peptidomimetic | SMAC caspase activator |
Bir3 domain (1F9X) | (2JK7) | (1G73) |
ZipA | indoloquinolizin inhibitor 1 | FtsZ |
(1F46) | (1S1J) | (1F47) |
HPV11 E2 protein | tetrahydrofuran derivative | HPV11 E1 protein |
(1RK6) | (1R6N) | (1TUE) (1R6N) |
Interleukin 2 | diphenyl derivative | IL2-Receptor |
(1M47) | (1M48) | (1Z92) |
HIV-1 Integrase | chlorophenyl-dihydroquinolin acetic acid | LEDGF |
(3L3U) | (3LPT) | (2B4J) |
TNFa subunit A | chromen-4-one derivative | TNFa subunit B |
(1TNF) | (2AZ5) | (1TNF) |
TNF receptor 1a | thiazolidin-4-one derivative | TNF-beta |
(1EXT) | (1FT4) | (1TNR) |
MDM4 subunit A | chlorobenzyl-phenyl-imidazol derivative | p53 |
(3DAB) | (3LBJ) | (3DAB) |