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Please cite the following paper Xavier et al. 2016 when using SAnDReS

DIY Projects with SAnDReS

To facilitate for those interested in performing DIY drug design with SAnDReS, we listed below several target proteins that can be used to design drugs in your garage, the true "DIY drug design". For all systems we can find both, structural and ligand-binding information. In the list, you also find publications related to docking for each specific biological system, to guide you through in your DIY drug design. There are also links to Molecule of the Month site (MOTM) for those enzymes for which this information is available.

-3-enol-pyruvoylshikimate-5-phosphate synthase (EPSP synthase) (EC 2.5.1.19)   PubMed    
-11-Beta-Hydroxysteroid Dehydrogenase (EC 1.1.1.146)   PubMed   IC50   Ki        

-Acetylcholinesterase (EC 3.1.1.7)   PubMed   MOTM   IC50   Kd   Ki   
-ADAM 17 Endopeptidase (EC 3.4.24.86)   PubMed   IC50   Kd   Ki    
-Adenosine A2a Receptor (EC 3.2.1.17)   PubMed   IC50   Kd   Ki           
-Adenosine Deaminase (EC 3.5.4.4)   PubMed   IC50   Ki    
-Adenosylhomocysteinase (EC 3.3.1.1)   PubMed    IC50   Ki   
-Aldehyde Reductase (EC 1.1.1.21)   PubMed   IC50   Kd   Ki    
-Angiotensin-Converting Enzyme (EC 3.4.15.1)   PubMed   IC50   Ki    

-Beta-2 Adrenergic Receptor (EC 3.2.1.17)   PubMed   IC50   Kd   Ki   
-Beta-Glucocerebrosidase  (EC 3.2.1.45)   PubMed   IC50   Ki   
-Beta-Lactamase (EC 3.5.2.6)   PubMed   MOTM   IC50   Kd   Ki   
-Beta-Secretase 1 (EC 3.4.23.46)   PubMed   MOTM    IC50   Kd   Ki   

-Carbonic Anhydrase II (EC 4.2.1.1)   PubMed   MOTM   IC50   Kd   Ki     
-Caspase-3 (or Apopain) (EC 3.4.22.56)   PubMed     MOTM   IC50   Kd   Ki    
-Catechol O-Methyltransferase (EC 2.1.1.6)   PubMed   IC50   Ki    
-Chorismate Synthase (EC 4.2.3.5)   PubMed   
-c-Jun N-Terminal Kinase 3 (EC 2.7.11.24)   PubMed   IC50   Kd   Ki   
-Coagulation Factor X (EC 3.4.21.6)   PubMed    IC50   Kd   Ki   
-Coagulation Factor VIIa (EC 3.4.21.21)   PubMed   IC50   Kd   Ki    
-C-X-C Chemokine Receptor Type 4 (EC 3.2.1.17)   PubMed   IC50   Kd   Ki    
-Cyclin-Dependent Kinase 1 (EC 2.7.11.22)   PubMed   IC50   Kd   Ki    
-Cyclin-Dependent Kinase 2 (EC 2.7.11.22)   PubMed   IC50   Kd   Ki   
-Cyclin-Dependent Kinase 5 (EC 2.7.11.22)   PubMed   IC50   Kd   Ki   
-Cyclin-Dependent Kinase 6 (EC 2.7.11.22)   PubMed   IC50   Kd   Ki   
-Cyclin-Dependent Kinase 7 (EC 2.7.11.22)   PubMed   IC50   Kd   Ki   
-Cyclin-Dependent Kinase 8 (EC 2.7.11.22)   PubMed   IC50   Kd   Ki   
-Cyclin-Dependent Kinase 9 (EC 2.7.11.22)   PubMed   IC50   Kd   Ki   
-Cyclin-Dependent Kinase 12 (EC 2.7.11.22)   PubMed   IC50   Kd   Ki   
-Cyclin-Dependent Kinase 13 (EC 2.7.11.22)   PubMed   IC50   Kd   Ki       
-Cyclin-Dependent Kinase 16 (EC 2.7.11.22)   PubMed   IC50   Kd   Ki   
-Cyclooxygenase-1 and 2 (EC 1.14.99.1)   PubMed   MOTM   IC50   Ki   
-Cytochrome P450 2C9 (EC 1.14.13.-)   PubMed   MOTM   IC50   Kd   Ki   

-Dihydrofolate Reductase (EC 1.5.1.3)   PubMed   MOTM
-Dihydroorotate Dehydrogenase (EC 1.3.5.2)   PubMed       
-Dipeptidyl Peptidase IV (EC 3.4.14.5)   PubMed       
-Dopamine D3 Receptor (EC 3.2.1.17)   PubMed   IC50   Kd   Ki    
-Dual Specificity Mitogen-Activated Protein Kinase Kinase 1 (EC 2.7.12.2)   PubMed           

-Enoyl-[Acyl-Carrier-Protein] Reductase (NADH) (EC 1.3.1.9)   PubMed          
-Epidermal Growth Factor Receptor ErbB1 (EC 2.7.10.1)   PubMed   MOTM  

-Farnesyl Diphosphate Synthase (EC 2.5.1.10)   PubMed             
-Fibroblast Growth Factor Receptor 1 (EC 2.7.10.1)   PubMed           
-FK506-Binding Protein 1 (EC 5.2.1.8)   PubMed           
-Focal Adhesion Kinase 1 (EC 2.7.10.2)   PubMed           

-GAR Transformylase (EC 2.1.2.2)   PubMed          
-Glucocorticoid Receptor (EC 2.3.1.48)   PubMed         

-Hepatocyte Growth Factor Receptor (EC 2.7.10.1)   PubMed              
-Hexokinase Type IV (EC 2.7.1.2)   PubMed           
-High-Resolution Crystallographic Structures with Delta G Information       
-High-Resolution Crystallographic Structures with Kd Information    
-High-Resolution Crystallographic Structures with Ki Information       
-High-Resolution Crystallographic Structures with IC50 Information    
-Histone Deacetylase 2 (EC 3.5.1.98)   PubMed         
-Histone Deacetylase 8 (EC 3.5.1.98)   PubMed        
-HMG-CoA Reductase (EC 1.1.1.34)   PubMed         
-Human Immunodeficiency Virus Type 1 Integrase (EC 2.7.7.-)   PubMed   MOTM   
-Human Immunodeficiency Virus Type 1 Protease (EC 3.4.23.16)   PubMed   MOTM              
-Human Immunodeficiency Virus Type 1 Reverse Transcriptase (EC 2.7.7.49)   PubMed  MOTM         
-Hydrolases (EC 3.-.-.-)   PubMed        

-Insulin-Like Growth Factor I Receptor (EC 2.7.10.1)   PubMed        
-Inhibitor of Apoptosis Protein (EC 3.6.3.2)   PubMed       
-Isomerases (EC 5.-.-.-)   PubMed          
 
-Kinases   PubMed         

-Leukotriene-A(4) Hydrolase (or LTA-4 Hydrolase) (EC 3.3.2.6)   PubMed        
-Ligases (EC 6.-.-.-)   PubMed   MOTM             
-Lyases (EC 4.-.-.-)   PubMed        
      
-Macrophage Colony Stimulating Factor Receptor (EC 2.7.10.1)   PubMed       
-MAP Kinase-Activated Protein Kinase 2 (EC 2.7.11.1)   PubMed       
-MAP Kinase ERK2 (EC 2.7.11.24)   PubMed   IC50   Kd   Ki   
-MAP Kinase p38 Alpha (EC 2.7.11.24)   PubMed   IC50   Kd   Ki  
-Matrix Metalloproteinase 13 (EC 3.4.24.-)   PubMed       
-Monoamine Oxidase B (EC 1.4.3.4)   PubMed       
-Muscle Glycogen Phosphorylase (EC 2.4.1.1)   PubMed   MOTM         

-Nitric-Oxide Synthase (EC 1.14.13.39)   PubMed   MOTM         
-Neuraminidase (EC 3.2.1.18)   PubMed   MOTM   

-Oxidoreductases (EC 1.-.-.-)   PubMed         

-Peptide Deformylase (EC 3.5.1.88)   PubMed            
-Peroxisome Proliferator-Activated Receptor Alpha (EC 2.3.1.48)   PubMed     
-Peroxisome Proliferator-Activated Receptor Gamma (EC 2.3.1.48)   PubMed 
-Phosphodiesterase 5A (EC 3.1.4.35)   PubMed         
-Phospholipase A(2) Group IIA (EC 3.1.1.4)   PubMed        
-Poly [ADP-ribose] Polymerase-1 (EC 2.4.2.30)   PubMed            
-Protein Farnesyltransferase/Geranylgeranyltransferase Type I Alpha Subunit (EC 2.5.1.58 or EC 2.5.1.59)   PubMed        
-Protein Kinase C Beta (EC 2.7.11.13)   PubMed            
-Purine Nucleoside Phophorylase (EC 2.4.2.1)   PubMed         

-Renin (EC 3.4.23.15)   PubMed    
-Rho-Associated Protein Kinase 1 (EC 2.7.11.1)   PubMed    
-Serine/Threonine-Protein Kinase AKT (EC 2.7.11.1)   PubMed     
-Serine/Threonine-Protein Kinase AKT2 (EC 2.7.11.1)   PubMed    
-Serine/Threonine-Protein Kinase B-raf (EC 2.7.11.1)   PubMed   MOTM     
-Serine/Threonine-Protein Kinase PLK1 (or Polo Kinase) (EC 2.7.11.21)   PubMed     
-Serine/Threonine-Protein Kinase WEE1 (EC 2.7.10.2)   PubMed     
-Serotonin Receptor   PubMed   MOTM    

-Shikimate Kinase (EC 2.7.1.71)   PubMed   
-Stem Cell Growth Factor Receptor (EC 2.7.10.1)   PubMed     

-TGF-Beta Receptor Type I (EC 2.7.11.30)   PubMed     
-Thymidine Kinase (EC 2.7.1.21)   PubMed    
-Thymidylate Synthase (EC 2.1.1.45)   PubMed    
-Thrombin (or Fibrinogenase) (EC 3.4.21.5)   PubMed     
-Transferases (EC 2.-.-.-)   PubMed     
-Trypsin I  (EC 3.4.21.4)   PubMed      
-Tryptase Beta-1 (EC 3.4.21.59)   PubMed        
-Tyrosine-Protein Kinase ABL (EC 2.7.10.2)   PubMed       
-Tyrosine-Protein Kinase JAK2 (EC 2.7.10.2)   PubMed 
-Tyrosine-Protein Kinase LCK (EC 2.7.10.2)   PubMed  
-Tyrosine-Protein Kinase SRC (EC 2.7.10.2)   PubMed  MOTM  

-Urokinase-Type Plasminogen Activator (EC 3.4.21.73)   PubMed    

-Vascular Endothelial Growth Factor Receptor 2 (EC 2.7.10.1)   PubMed