Projects - Proteome

Protein

Description

Statistics

Udp-N-Acetylglucosamine Enolpyruvyl Transferase (Mura)

 

Udp-N-Acetylglucosamine Enolpyruvyl Transferase (Mura) catalyses an important biosynthetic pathway in bacterial peptidoglycan synthesis used in cell walls. As a result, this enzyme is regarded as a target for novel antibacterial drugs.

Jobs times for this query vary and give more hits than usual.



 
query: 1A2N-Q1
% jobs complete: 100.000
molecules: 39,654,686
hits: 99,481
time: 4:125:03:32:31
Pictures   T Skarzynski et al Biochemistry (1998) 37.8 p2572-7   last updated: 06:03 on 16-OCT-05

Glycogen phosphorylase

 

Glycogen phosphorylase is recognised as a potential antidiabetic target as it plays a role in metabolising glucose. At present, there are no collaborations in place to utilise these results and consequently this query is being processed as part of the proteome project. This query is based on a different crystal structures to 1h5u-q1, 1b4d-q1, 1c8l and 2gpa.

The test jobs took longer than typical jobs and have larger number of hits than average.



 
query: 1A8I-Q1
% jobs complete: 100.000
molecules: 39,650,648
hits: 1,256,368
time: 22:349:09:10:17
Pictures   N G Oikonomakos et al Bioorg Med Chem (2002) 10.5 p1313-9   last updated: 00:01 on 25-DEC-05

Amyloid b-Protein precursor

 

Amyloid b-Protein precursor (APPI) is believed to be involved in events leading to amyloid deposition which is characteristic of Alzheimer's Disease. An inhibitor may have therapeutic potential.

We expect most jobs for this query to take longer than average giving more hits than usual.



 
query: 1AAP-Q2
% jobs complete: 100.000
molecules: 39,651,289
hits: 308,652
time: 24:332:03:44:24
Pictures   T R Hynes et al Biochemistry (1990) 29.43 p10018-22   last updated: 18:55 on 30-OCT-05

Gyrase B

 

Gyrase is a recognised antibacterial target. However, existing inhibitors have not had therpeutic potential because of serious side-effects and mutant resistance. It may be possible to find alternative inhibitors which do not have these limitations.

Job times for this query took less time than typical jobs giving below average numbers of hits.



 
query: 1AJ6-Q1
% jobs complete: 100.000
molecules: 39,647,223
hits: 121,870
time: 7:209:06:52:53
Pictures   A Tanitame et al J Med Chem (2004) 47.14 p3693-6   last updated: 18:01 on 28-DEC-05

Dihydropteroate synthase

 

Dihydropteroate synthase is a recognised anti-bacterial target for sulfonamide drugs (the first clinically useful antibacterial drugs). We anticipate screening a short series of antibacterial drug targets.

Most jobs take the a few hours on a typical PC giving typical numbers of hits.



 
query: 1AJZ-Q1
% jobs complete: 100.000
molecules: 39,627,547
hits: 341,333
time: 7:178:00:01:21
Pictures   A Achari et al Nat Struct Biol (1997) 4.6 p490-7   last updated: 12:10 on 05-APR-05

Carbonic anhydrase

 

Carbonic anhydrase is a recognised target for drugs which reduce optic hypertension. High pressure in the eye has been associated with glucoma which causes blindness over time if not treated. The incidence of glucoma is increasing especially among younger people who use computers which has raised concerns about the effectiveness and side-effects of current drugs taken over longer periods of time.

The test jobs times usually took longer than average giving more hits.



 
query: 1AM6-Q2
% jobs complete: 100.000
molecules: 39,650,627
hits: 197,044
time: 12:228:17:44:21
Pictures   L R Scolnick et al J Am Chem Soc (1997) 119 p850   last updated: 06:04 on 01-NOV-05

Cathepsin K

 

Cathepsin K has been identified as playing a key role in bone matrix resorption and inhibiting this process is likely to have benefit to at least some individuals who suffer from Osteoporous.

These jobs take less time than typical jobs giving average numbers of hits.



 
query: 1ATK-Q1
% jobs complete: 100.000
molecules: 39,652,738
hits: 100,083
time: 3:102:16:48:29
Pictures   F X Tavares et al J Med Chem (2004) 47.3 p588-99   last updated: 18:01 on 24-DEC-05

Cathepsin K

 

Cathepsin K has been identified as playing a key role in bone matrix resorption and inhibiting this process is likely to have benefit to at least some individuals who suffer from Osteoporous. This query is based on a different crystal structure to 1atk-q1.

The time taken for test jobs for this query varied some giving above average numbers of hits.



 
query: 1AU4-Q1
% jobs complete: 100.000
molecules: 39,653,434
hits: 177,167
time: 6:129:23:42:20
Pictures   F X Tavares et al J Med Chem (2004) 47.3 p588-99   last updated: 12:00 on 09-JAN-06

C-Reactive Protein

 

The levels of C-Reactive Protein (CRP) increase in response to tissue injury, infection and inflammation. It has been suggested that increased levels of CRP might be associated with coronary atherothrombic events. Inhibitors of CRP may have relevance in treating heart disease.

The jobs for this query often take longer than typical jobs giving typical numbers of hits.



 
query: 1B09-Q2
% jobs complete: 100.000
molecules: 39,618,235
hits: 74,088
time: 16:124:01:30:47
Pictures   D Thompson et al Structure Fold Des (1999) 7.2 p 169-77   last updated: 12:14 on 17-JUN-05

Glycogen phosphorylase

 

Glycogen phosphorylase is recognised as a potential antidiabetic target as it plays a role in metabolising glucose. At present, there are no collaborations in place to utilise these results and consequently this query is being processed as part of the proteome project. This query is based on a different crystal structures to 1h5u-q1.

The test jobs took longer than typical jobs and have larger number of hits than average.



 
query: 1B4D-Q1
% jobs complete: 100.000
molecules: 39,653,745
hits: 1,434,323
time: 34:137:08:18:53
Pictures   N G Oikonomakos et al Bioorg Med Chem (2002) 10.5 p1313-9   last updated: 12:05 on 18-SEP-05

Phenylalanyl-tRNA synthetase

 

Phenylalanyl-tRNA synthetase is an essential enzyme which catalyses the transfer of phenylalanine to the Phe-specific transfer RNA. Inhibitors of this enzyme have potential to be a new class of antibiotic which can be used against bacterial infection which do not respond to other antibiotics. This query is based on a different crystal structure to 1b7y-q2.

Some jobs for this query take longer than usual giving above average numbers of hits.



 
query: 1B70-Q1
% jobs complete: 100.000
molecules: 39,649,149
hits: 35,419
time: 29:082:09:11:36
Pictures   D Beyer et al Antimicrob Agents Chemother (2004) 48.2 p525-32   last updated: 06:06 on 23-SEP-05

Phenylalanyl-tRNA synthetase

 

Phenylalanyl-tRNA synthetase is an essential enzyme which catalyses the transfer of phenylalanine to the Phe-specific transfer RNA. Inhibitors of this enzyme have potential to be a new class of antibiotic which can be used against bacterial infection which do not respond to other antibiotics.

This query has short job times with low numbers of hits.



 
query: 1B7Y-Q2
% jobs complete: 100.000
molecules: 39,627,603
hits: 115,634
time: 4:020:15:32:24
Pictures   D Beyer et al Antimicrob Agents Chemother (2004) 48.2 p525-32   last updated: 06:08 on 13-MAY-05

T-Lymphocyte-Specific Protein Tyrosine Kinase (P56Lck)

 

The specific association of an SH2 domain with a phosphotyrosine (pTyr)-containing sequence of another protein precipitates a cascade of intracellular molecular interactions (signals) which effect a wide range of intracellular processes. M S Plummer et al suggested in J Med Chem (1997) 40.23 p3719-25 that inhibition of this protein's SH2 domain might be useful in the treatment of osteoporosis. We do not have any collaborations in place to use the hits from this query and consequently it forms part of the Proteome project.

This query gave relatively few hits from a selection of test jobs but ran faster than average.



 
query: 1BHF-Q1
% jobs complete: 100.000
molecules: 39,874,676
hits: 18,030
time: 1:188:04:19:41
Pictures   L Tong et al, J Biol Chem (1998) 273 p20238-42   last updated: 06:14 on 22-SEP-04

Alpha Thrombin

 

The serine protease thrombin plays an important role in blood coagulation. Selective inhibition of thrombin may result in efficient control of various conditions including thrombosis and arteriosclerosis. Many of the known molecules which bind are surprizingly large and we expect to find some small molecules which are also predicted to bind well.

This query requires THINK 1.25b and gives average numbers of hits with many jobs completing in a few hours on a typical PC.



 
query: 1BMM-Q1
% jobs complete: 100.000
molecules: 510,395,478
hits: 4,652,906
time: 60:006:10:04:28
Pictures   M F Malley et al Protein Sci (1996) 5.2 p221-8   last updated: 06:14 on 04-MAR-05

Glycogen phosphorylase

 

Glycogen phosphorylase is recognised as a potential antidiabetic target as it plays a role in metabolising glucose. At present, there are no collaborations in place to utilise these results and consequently this query is being processed as part of the proteome project. This query is based on a different crystal structures to 1h5u-q1 and 1b4d-q1.

The test jobs took slightly longer than typical jobs and have larger number of hits than average.



 
query: 1C8L-Q3
% jobs complete: 100.000
molecules: 39,649,616
hits: 154,835
time: 7:155:05:18:12
Pictures   N G Oikonomakos et al Bioorg Med Chem (2002) 10.5 p1313-9   last updated: 12:07 on 22-SEP-05

Transthyretin

 

The human amyloid disorders (including polyneuropathy, cardiomyopathy and senile amyloidosis) are caused by insoluble transthyretin (TTR) fibrils being deposited in the peripheral nerves and heart tissue. It has been suggested that inhibiting TTR may have therapeutic value by stopping the formation of such fibrils.

Test jobs gave below average numbers of hits in less time than typical.



 
query: 1DVY-Q3
% jobs complete: 100.000
molecules: 39,627,653
hits: 56,688
time: 4:212:12:48:03
Pictures   T Klabunde et al Nat Struct Biol (2000) 7.4 p312-21.   last updated: 12:22 on 07-AUG-05

Hepatitis C virus NS3 Serine Protease

 

NS3 serine protease expressed by the hepatitis C virus is a recognised target for drug design. While some high molecular mass peptides have worked in the laboratory they are not suitable as drugs and the search for typical drug-like molecule has been less successful. This query is based on a different crystal structure to 1DY9-Q2 and 1DY8-Q1.

The time taken by test jobs was often above average giving more hits than usual.



 
query: 1DXP-Q1
% jobs complete: 100.000
molecules: 39,648,536
hits: 1,212,698
time: 28:287:20:55:33
Pictures   S Di Marco et al J Biol Chem (2000) Vol 275, p7152   last updated: 18:01 on 29-DEC-05

Hepatitis C virus NS3 Serine Protease

 

NS3 serine protease expressed by the hepatitis C virus is a recognised target for drug design. While some high molecular mass peptides have worked in the laboratory they are not suitable as drugs and the search for typical drug-like molecule has been less successful. This query is based on a different crystal structure to 1DY9-Q2.

The time taken by test jobs was variable usually giving fewer hits than average with most jobs completing relatively quickly.



 
query: 1DY8-Q1
% jobs complete: 100.000
molecules: 39,647,910
hits: 32,664
time: 4:056:02:12:28
Pictures   S Di Marco et al J Biol Chem (2000) Vol 275, p7152   last updated: 12:04 on 13-DEC-05

Hepatitis C virus NS3 Serine Protease

 

NS3 serine protease expressed by the hepatitis C virus is a recognised target for drug design. While some high molecular mass peptides have worked in the laboratory they are not suitable as drugs and the search for typical drug-like molecule has been less successful.

At this time Find-a-Drug does not have any collaborations in place to utilise these results and consequently this query is classified as a part of the Proteome project rather than a Hepatitis project.



 
query: 1DY9-Q2
% jobs complete: 100.000
molecules: 39,937,745
hits: 69,063
time: 13:310:01:39:11
Pictures   S Di Marco et al J Biol Chem (2000) Vol 275, p7152   last updated: 18:09 on 06-JUN-04

UDP-galactose 4-epimerase

 

UDP-galactose 4-epimerase catalyzes the interconversion of UDP-galactose and UDP-glucose during normal galactose metabolism. An inhibitor would be expected to have anti-bacterial properties although if the molecule was non-selective there would be a risk of galactosemia as a side-effect. This query is based on a different crystal structure to 1hzj-q1.

Job times for this query varied with an average time less than 10 hours on a typical PC and above average numbers of hits.



 
query: 1EK6-Q1
% jobs complete: 100.000
molecules: 39,654,564
hits: 221,737
time: 6:225:17:46:28
Pictures   J B Thoden et al, J Biol Chem (2001) 276.18 p15131-6   last updated: 18:07 on 16-SEP-05

Acetylcholinesterase

 

Some drugs which are used to slow the progression of Alzheimer's Disease are known to interact with the protein Acetylcholinesterase. At the present time there is only a limited understanding of the causes of Alzheimer's and Parkinson's diseases and it is unlikely that a better Acetylcholinesterase inhibitor would cure such diseases - although they may have fewer side-effects. At the present time we do not have definite plans to utilise these hits and consequently the target is configured at a low priority.



 
query: 1EVE-Q1
% jobs complete: 100.000
molecules: 41,727,084
hits: 92,563
time: 13:142:13:50:36
Pictures   G Kryger, I Silman and J L Sussman Structure (1998) Vol 7 p 297   last updated: 00:30 on 01-OCT-03

Coagulation Factor Xa

 

Factor Xa is a serine protease (where X is the Roman numeral for 10) which is involved in the coagulation cascade. Inhibitors of factor Xa have potential as antithrombotics.

Job times for this query do vary but are usually faster than typical jobs despite giving more hits than average.



 
query: 1F0S-Q1
% jobs complete: 100.000
molecules: 39,627,184
hits: 398,389
time: 4:091:15:10:49
Pictures   S Maignan et al J Med Chem (2000) 43.17 p3226-32   last updated: 06:07 on 30-MAR-05

Phospholipase A2 (PLA2)

 

Phospholipase A2 (PLA2) cleaves ester bond in glycerophospholipids releasing free fatty acids and lysophospholipids. Excessive levels of human nonpancreatic PLA2 has been associated with a number of disease states including arthritis, septic shock and atherosclerosis. Inhibition of PLA2 may have therapeutic potential in the treatment of arthritis. This query is based on a different crystal structure to 1fx9-q1.

Job times for this query are variable with some jobs taking less time than usual and giving very few hits.



 
query: 1FDK-Q1
% jobs complete: 100.000
molecules: 39,650,491
hits: 832
time: 5:054:05:01:35
Pictures   J S Sawyer et al J Med Chem (2005) 48.3 p893-6   last updated: 00:00 on 15-JAN-06

Beta-secretase (Memapsin 2)

 

Beta-secretase is a recognised drug design target for Alzheimer's disease for which peptide inhibitors are already known. Such inhibitors are of little clinical use because of their high molecular mass. This query is based on a different crystal structure to 1m4h-q2.

Test jobs for this query showed some variation in the time taken but most will complete in a few hours giving average numbers of hits.



 
query: 1FKN-Q3
% jobs complete: 100.000
molecules: 39,627,529
hits: 84,109
time: 4:013:15:15:29
Pictures   L Hong et al Science (2000) 290 p150   last updated: 06:16 on 14-JUN-05

Glutamate Receptor 2 (GluR2)

 

Ischemic stroke is the third leading cause of death in developed countries. GluR5 plays an important role in neurotransmission in the brain forming part of the AMPA receptor channels. GluR5 has been suggested as a target for stroke therapy because it mediates signals that damage vulnerable neurons.

The time taken by test jobs was variable with some giving above average numbers of hits.



 
query: 1FTM-Q1
% jobs complete: 100.000
molecules: 39,649,573
hits: 103,085
time: 14:123:07:08:03
Pictures   M M Soundarapandian et al Mol Neurobiol (2005) 32.2 p145-56   last updated: 06:00 on 06-JAN-06

Phospholipase A2 (PLA2)

 

Phospholipase A2 (PLA2) cleaves ester bond in glycerophospholipids releasing free fatty acids and lysophospholipids. Excessive levels of human nonpancreatic PLA2 has been associated with a number of disease states including arthritis, septic shock and atherosclerosis. Inhibition of PLA2 may have therapeutic potential in the treatment of arthritis.

Job times for this query took longer than typical jobs giving above average numbers of hits.



 
query: 1FX9-Q1
% jobs complete: 100.000
molecules: 39,648,364
hits: 211,418
time: 12:167:12:28:43
Pictures   J S Sawyer et al J Med Chem (2005) 48.3 p893-6   last updated: 06:04 on 01-NOV-05

Phospholipase A2 (PLA2)

 

Phospholipase A2 (PLA2) cleaves ester bond in glycerophospholipids releasing free fatty acids and lysophospholipids. Excessive levels of human nonpancreatic PLA2 has been associated with a number of disease states including arthritis, septic shock and atherosclerosis. Inhibition of PLA2 may have therapeutic potential in the treatment of arthritis. This query is based on a different crystal structure than 1fx9-q1.

For test jobs, times and numbers of hits for this query where typical.



 
query: 1FXF-Q1
% jobs complete: 100.000
molecules: 39,643,494
hits: 131,215
time: 4:300:11:48:11
Pictures   J S Sawyer et al J Med Chem (2005) 48.3 p893-6   last updated: 00:00 on 13-JAN-06

Trypsin IV

 

Trypsin IV is a protease which is expressed in the brain. It has been suggested that this protein is linked to the formation of amyloid in the brain which is characteristic of Alzheimer's disease. A selective Trypsin IV inhibitor may be therapeutically useful to slow the development of Alzheimer's disease.

The test jobs times were variable with some jobs taking longer than average.



 
query: 1H4W-Q1
% jobs complete: 100.000
molecules: 39,649,445
hits: 208,908
time: 12:032:05:44:01
Pictures   G Katona et al J Mol Biol (2002) 315.5 p1209-18   last updated: 06:06 on 20-SEP-05

Glycogen phosphorylase

 

Glycogen phosphorylase is recognised as a potential antidiabetic target as it plays a role in metabolising glucose. At present, there are no collaborations in place to utilise these results and consequently this query is being processed as part of the proteome project.

The jobs generate fewer hits than average and complete quite quickly.



 
query: 1H5U-Q1
% jobs complete: 100.000
molecules: 39,627,784
hits: 10,069
time: 1:290:10:37:13
Pictures   N G Oikonomakos et al Bioorg Med Chem (2002) 10.5 p1313-9   last updated: 01:07 on 05-DEC-04

UDP-galactose 4-epimerase

 

UDP-galactose 4-epimerase catalyzes the interconversion of UDP-galactose and UDP-glucose during normal galactose metabolism. An inhibitor would be expected to have anti-bacterial properties although if the molecule was non-selective there would be a risk of galactosemia as a side-effect.

Job times for this query varied with an average time less than 10 hours on a typical PC and above average numbers of hits.



 
query: 1HZJ-Q1
% jobs complete: 100.000
molecules: 39,642,607
hits: 187,009
time: 3:229:01:53:42
Pictures   J B Thoden et al, J Biol Chem (2001) 276.18 p15131-6   last updated: 12:07 on 23-SEP-05

EWS/FLT1 Activated Transcript 2 (EAT-2)

 

The immune system produces Natural Killer (NK) cells in response to most virus infections and cancer tumours. EWS/FLT1 Activated Transcript 2 (EAT-2) suppresses the killer function and it has been suggested that a small molecule which inhibited EAT-2 might have therapeutic potential.

The job times for test queries varied often taking longer average jobs and giving more hits.



 
query: 1I3Z-Q1
% jobs complete: 100.000
molecules: 39,640,808
hits: 517,789
time: 16:039:13:21:19
Pictures   R Roncagalli et al Immunology (2005) 6 p 1002-1010   last updated: 12:00 on 24-JAN-06

Peroxisome proliferator-activated receptor g (PPAR-

 

The peroxisome proliferator-activated receptors g(PPAR-g) are ligand-activated transcription factors belonging to the nuclear receptor family. The therapeutic potential of this receptor is not fully appreciated. It has been suggested that this is a possible target for anti-obesity drugs and anti-diabetic - although some selectivity may be required.

The test jobs took less time than typical jobs and with few hits.



 
query: 1I7I-Q1
% jobs complete: 100.000
molecules: 39,654,622
hits: 10,210
time: 4:077:22:42:47
Pictures   P Cronet et al Structure (2001) 9.8 p699-706   last updated: 18:08 on 20-SEP-05

p27(Kip1)

 

p27(Kip1) has been identified as a possible target to restore partial hearing loss in some circumstances. Auditory hair cells are never replaced and can be damaged by loud noises, drug reactions or infections etc resulting in hearing loss. p27(Kip1) has been demonstrated to stop more auditory hair cells growing and inhibiting p27(Kip1) may have a therapeutic value.

This query gave most numbers of hits a selection of test jobs with jobs taking slightly less than average.



 
query: 1JSU-Q1
% jobs complete: 100.000
molecules: 39,627,693
hits: 288,621
time: 4:156:02:05:43
Pictures   A A Russo et al, Nature (1996) 382 p325   last updated: 06:08 on 29-MAR-05

Tetrahydrodipicolinate N-succinyltransferase (DapD)

 

Tetrahydrodipicolinate N-succinyltransferase (DapD)catalyses an important biosynthetic pathway in bacteria, providing meso-diaminopimelate as a building block for cell walls. As a result, this enzyme is regarded as a target for novel antibacterial drugs.

Jobs times for this query vary and give typical numbers of hits.



 
query: 1KGQ-Q2
% jobs complete: 100.000
molecules: 39,651,388
hits: 214,051
time: 3:219:13:43:13
Pictures   T W Beaman et al Protein Sci (2002) 11.4 p974-9   last updated: 12:07 on 19-SEP-05

Tetrahydrodipicolinate N-succinyltransferase (DapD)

 

Tetrahydrodipicolinate N-succinyltransferase (DapD)catalyses an important biosynthetic pathway in bacteria, providing meso-diaminopimelate as a building block for cell walls. As a result, this enzyme is regarded as a target for novel antibacterial drugs.

Jobs for this query take more time than typical protein targets giving typical numbers of hits.



 
query: 1KGT-Q2
% jobs complete: 100.000
molecules: 39,627,513
hits: 30,674
time: 8:077:09:22:48
Pictures   T W Beaman et al Protein Sci (2002) 11.4 p974-9   last updated: 00:10 on 29-JUL-05

Gyrase B

 

Gyrase is a recognised antibacterial target. However, existing inhibitors have not had therpeutic potential because of serious side-effects and mutant resistance. It may be possible to find alternative inhibitors which do not have these limitations. This query is based on an alternative crystal structutre to 1aj6-q1.

Job times for this query varied often giving above average numbers of hits.



 
query: 1KIJ-Q1
% jobs complete: 100.000
molecules: 39,649,006
hits: 324,410
time: 9:010:07:26:59
Pictures   A Tanitame et al J Med Chem (2004) 47.14 p3693-6   last updated: 12:06 on 12-DEC-05

Serotonin N-Acetyltransferase

 

Serotonin is an important neuro-transmitter in the brain and it is believed to play a role in depression and some mental disorders. This enzyme converts Serotonin into Melatonin reducing its concentration. Inhibiting this has the potential to relieve some symptoms.



 
query: 1KUX-Q1
% jobs complete: 100.000
molecules: 39,637,187
hits: 412,202
time: 7:095:19:59:20
Pictures   E Wolf et al J Mol Biol (2002) Vol 317 p 215   last updated: 00:12 on 04-MAR-05

P38 MAP kinase

 

This protein plays a crucial role in regulating the production of proinflammatory signalling molecules of the immune system. Consequently, blocking the function of this kinase using a small molecule inhibitor has potential as an effective therapy for treating a wide range of inflammatory diseases. Recently, Boehringer Ingelheim Pharmaceuticals reported a novel allosteric binding site for a class of compounds called diaryl ureas, opening up an entirely new avenue of research. The formation of this binding site requires a large conformational change, not observed previously for P38 MAP kinase. The discovery of this site is significant because it has little structural resemblance to other related proteins which is an important prerequisite for designing a safe drug molecule with minimal side-effects.



 
query: 1KV2-Q6
% jobs complete: 100.000
molecules: 78,707,629
hits: 137,738
time: 5:179:07:54:15
Pictures   C Pargellis et al, Nat. Struct. Biol. (2002) 9.4 p268-72   last updated: 06:10 on 27-MAR-03

Gyrase B

 

Gyrase is a recognised antibacterial target. However, existing inhibitors have not had therpeutic potential because of serious side-effects and mutant resistance. It may be possible to find alternative inhibitors which do not have these limitations. This query is based on a different crystal structure to 1a6j-q1.

Job times for this query varied with some jobs taking less time and giving fewer hits than average jobs.



 
query: 1KZN-Q1
% jobs complete: 100.000
molecules: 39,655,769
hits: 51,354
time: 3:310:21:24:23
Pictures   A Tanitame et al J Med Chem (2004) 47.14 p3693-6   last updated: 12:00 on 23-JAN-06

Protein-Tyrosine Phosphatase 1B (PTP1B)

 

It has been suggested that inhibitors of Protein-Tyrosine Phosphatse 1B (PTP1B) could be therapeutically beneficial in the treatment of type 2 diabetes. However, as there are many other phosphatases in the cell it is necessary to find selective inhibitors. Phosphatases have also been suggested as targets for other diseases.

The test jobs times were typical giving above normal numbers of hits.



 
query: 1LQF-Q1
% jobs complete: 100.000
molecules: 39,646,038
hits: 185,275
time: 9:106:15:54:22
Pictures   E Asante-Appiah et al Biochemistry (2002) 41 p9043-51   last updated: 07:38 on 26-AUG-05

Peptide deformylase

 

Peptide deformylase (PDF) is a recognised target for new types of antibiotics. This enzyme is essential for the removal of the formyl group on the N-terminus of peptides. Comparison with the hits from this query relating to E. Coli. and those from Staphylococcus aureus (1Q1Y-Q2) and Plasmodium falciparum (1RL4-Q1) might be interesting.

The jobs for this query often take longer than typical jobs giving more hits.



 
query: 1LRU-Q1
% jobs complete: 100.000
molecules: 39,627,502
hits: 601,471
time: 16:136:03:40:07
Pictures   J P Guilloteau et al J Mol Biol (2002) 320 p951   last updated: 12:11 on 02-JUN-05

Glucocorticoid receptor

 

The Glucocorticoid receptor has been suggested as a target for type II Diabetes. However, any inhibitor would need to be selective to receptors in the liver in order to reduce glucose production without side-effects.

This query gave fewer hits than typical jobs taking less time than average.



 
query: 1M2Z-Q1
% jobs complete: 100.000
molecules: 39,650,400
hits: 41,887
time: 7:087:07:07:26
Pictures   T W von Geldern et al, J Med Chem (2004) 47.17 p4213-30   last updated: 12:05 on 05-DEC-05

Beta-secretase (Memapsin2)

 

Beta-secretase is a recognised drug design target for Alzheimer's disease for which peptide inhibitors are already known. Such inhibitors are of little clinical use because of their high molecular mass. Our initial test runs with this query gave high hit rates.

At this time Find-a-Drug does not have any collaborations in place to utilise these results and consequently this query is classified as a part of the Proteome project rather than a separate Alzheimer's disease project.



 
query: 1M4H-Q2
% jobs complete: 100.000
molecules: 39,878,410
hits: 1,764,425
time: 58:353:18:56:24
Pictures   L Hong et al Biochemistry (2002) Vol 41, p10963   last updated: 01:20 on 26-OCT-04

Dipeptidyl peptidase IV

 

Dipeptidyl peptidase IV (DPPIV) belongs to the serine protease family. It removes a dipeptide chain consisting of two amino acids from its peptide substrates. DPPIV has been suggested as a possible target for type II diabetes drugs.

The jobs for this query often take longer than typical jobs.



 
query: 1N1M-Q1
% jobs complete: 100.000
molecules: 39,627,341
hits: 460,575
time: 17:363:08:40:53
Pictures   K Aertgeerts et al Protein Sci (2004) 13.2 p412-21   last updated: 06:07 on 30-MAR-05

Name undefined

 

No description available.



 
query: 1NHU-Q1
% jobs complete: 100.000
molecules: 39,649,981
hits: 37,409
time: 4:164:20:34:43
Pictures   No literature reference   last updated: 12:04 on 10-DEC-05

N-myristoyl transferase

 

N-myristoyl transferase (NMT) is an antifungal target found in eukaryotic cells in yeasts. It is associated with the majority of systemic infections in immuno-compromised humans.

This query has long job times with low numbers of hits.



 
query: 1NMT-Q2
% jobs complete: 100.000
molecules: 39,626,576
hits: 38,838
time: 21:302:05:05:19
Pictures   S A Weston et al, Nat Struct Biol (1998) 5.3 p213-21   last updated: 00:07 on 06-APR-05

Calpain

 

Certain neurodegenerative conditions are associated with damage to the nerve axons or termini. It has been reported that Calpain inhibitors offer some protection to such nerve damage. Such inhibitors may have potential as drugs in autoimmune and other neurodegenerative diseases.

These jobs take longer than most typical jobs giving average numbers of hits.



 
query: 1NX3-Q1
% jobs complete: 100.000
molecules: 39,627,715
hits: 65,457
time: 16:241:01:06:49
Pictures   G M O Hanlon et al Brain (2003) 126.11 p2497-2509   last updated: 00:11 on 12-JUN-05

Map Kap Kinase 2

 

Kaposi's sarcoma is a cancer-like viral disease traditionally associated with AIDS. It occurs mainly in developing countries with symptoms of severe inflammation. Map Kap Kinase 2 is believed to play a role triggering this inflammation and is therefore a potential drug target.

We expect these jobs to give slightly more than typical numbers of this is about typical jobs times.



 
query: 1NXK-Q2
% jobs complete: 100.000
molecules: 39,627,522
hits: 235,158
time: 4:256:13:53:30
Pictures   K W Underwood et al Structure (2003) 11 p627   last updated: 00:11 on 07-AUG-05

Protein Tyrosine Phosphatase 1B (PTP1B)

 

In type II diabetes, the pancreas usually continues to produce insulin but not in sufficient quantities. PTP1B has been shown in recent studies to suppress insulin action. We hope to find molecules which can selectively bind to PTP1B's second site theerby enchancing insulin action without affecting T-cell activation associated with binding at the first site.



 
query: 1NZ7-Q2
% jobs complete: 100.000
molecules: 39,874,784
hits: 131,134
time: 5:134:09:57:08
Pictures   Z Xin et al, Bioorg Med Chem Lett (2003) 13 p1887-90   last updated: 18:22 on 13-NOV-04

Angiotensin Converting Enzyme (ACE)

 

Angiotensin Converting Enzyme (ACE) inhibitors are used in the treatment of high blood pressure. However, these (and other drugs used in the treatment of high blood pressure) can have unpleasant side-effects. The drug works by stopping angiotensin I being converted to angiotensin which is a potent blood-vessel constrictor.

We will make the results of this study available to the National Taiwan University.

We expect this queries to give above average numbers of hits. It requires THINK 1.25a or later versions.



 
query: 1O86-Q3
% jobs complete: 100.000
molecules: 39,627,719
hits: 561,357
time: 18:255:14:24:04
Pictures   R Natesh et al Nature (2003) 412 p551   last updated: 06:15 on 02-MAR-05

Phospholipase A2

 

It has been suggested by Singh that the interaction between aspirin and phospholipase A2 is at least partly responsible for the anti-inflammatory response. There are other anti-inflammatory targets as well as other proteins to which aspirin binds see Falke research group.

The time taken by our test jobs was longer than typical jobs.



 
query: 1OXR-Q2
% jobs complete: 100.000
molecules: 39,627,460
hits: 366,659
time: 19:353:02:43:29
Pictures   R K Singh et al, To be published   last updated: 00:07 on 04-APR-05

Death Associated Protein Kinase

 

Death Associated Protein Kinase (DAPK) is a calcium and calmodulin regulated enzyme that plays an early role in cell death. It has been suggested that inhibiting this enzyme limits the consequences of acute brain injury.

These jobs take less time than most typical jobs giving average numbers of hits.



 
query: 1P4F-Q1
% jobs complete: 100.000
molecules: 39,627,628
hits: 217,750
time: 9:066:19:40:46
Pictures   A V Velentza et al Bioorg Med Chem Lett (2003) 13 p3465   last updated: 06:07 on 26-JUN-05

N-Methyl-D-Aspartate (NMDA) receptor

 

N-Methyl-D-Aspartate (NMDA) antagonists are recognised as potentially useful as a therapy for Alzheimer's Disease - see DDT (2005) 10.11 p 750. Over stimulation of this receptor appears to be related to neurodegeneration and blocking it has some therpeutic benefits. This approach is rather different from many of the other Alzheimer's Disease drugs which are being developed. This queries is based on a different crystal structure to 1pbq-q1.

The test jobs times usually took longer than average and very few hits.



 
query: 1PB7-Q1
% jobs complete: 100.000
molecules: 39,652,404
hits: 1,979
time: 12:237:05:54:28
Pictures   H Furukawa and E Gouaux EMBO J (2003) 22.12 p2873-85   last updated: 18:00 on 11-JAN-06

N-Methyl-D-Aspartate (NMDA) receptor

 

N-Methyl-D-Aspartate (NMDA) antagonists are recognised as potentially useful as a therapy for Alzheimer's Disease - see DDT (2005) 10.11 p 750. Over stimulation of this receptor appears to be related to neurodegeneration and blocking it has some therpeutic benefits. This approach is rather different from many of the other Alzheimer's Disease drugs which are being developed. This queries is based on a different crystal structure to 1pbq-q1 and 1pb7-q1.

The test jobs times took longer than average and gave very few hits.



 
query: 1PB8-Q1
% jobs complete: 100.000
molecules: 39,653,466
hits: 9,585
time: 14:352:00:17:39
Pictures   H Furukawa and E Gouaux EMBO J (2003) 22.12 p2873-85   last updated: 18:00 on 19-JAN-06

N-Methyl-D-Aspartate (NMDA) receptor

 

N-Methyl-D-Aspartate (NMDA) antagonists are recognised as potentially useful as a therapy for Alzheimer's Disease - see DDT (2005) 10.11 p 750. Over stimulation of this receptor appears to be related to neurodegeneration and blocking it has some therpeutic benefits. This approach is rather different from many of the other Alzheimer's Disease drugs which are being developed.

The test jobs times usually took longer than average and giving more hits.



 
query: 1PBQ-Q1
% jobs complete: 100.000
molecules: 39,651,819
hits: 472,980
time: 18:246:09:37:24
Pictures   H Furukawa and E Gouaux EMBO J (2003) 22.12 p2873-85   last updated: 06:05 on 31-OCT-05

c-Jun N-terminal kinases (JNKs)

 

c-Jun N-terminal kinases (JNKs) is a mitogen-activated protein kinase (MAPK) and JNK-3 is primarily found in certain nerve cells where is it plays a role in cell death. It has been identified as an attracive therapeutic target in Neurological disorders - especially Alzheimer's disease and Parkinson's disease. It has also been suggested that inhibitors to JNK-3 might be beneficial to stroke victims.

This query requires THINK 1.25b and gives average numbers of hits with many jobs completing in a few hours on a typical PC.



 
query: 1PMN-Q1
% jobs complete: 100.000
molecules: 39,565,495
hits: 296,467
time: 5:280:04:18:57
Pictures   L Resnick & M Fennell DDT (2004) 9.21 p932-939   last updated: 18:20 on 02-MAR-05

c-Jun N-terminal kinases (JNKs)

 

c-Jun N-terminal kinases (JNKs) is a mitogen-activated protein kinase (MAPK) and JNK-3 is primarily found in certain nerve cells where is it plays a role in cell death. It has been identified as an attracive therapeutic target in Neurological disorders - especially Alzheimer's disease and Parkinson's disease. It has also been suggested that inhibitors to JNK-3 might be beneficial to stroke victims. This query is based on a different crystal structure to 1PMN-Q1.

Test jobs for this query gave average numbers of hits with many jobs completing in less time than typical jobs.



 
query: 1PMQ-Q1
% jobs complete: 100.000
molecules: 39,643,360
hits: 64,622
time: 9:353:14:52:20
Pictures   L Resnick & M Fennell DDT (2004) 9.21 p932-939   last updated: 12:00 on 23-JAN-06

Superoxide dismutase

 

Mutations in Superoxide dismutase (SOD) have been associated with Lou Gehrig's disease (also known as ALS) which is the most common form of motor neuron disease. When neurons in the spinal cord die this leads to muscle wasting and total paralysis. For an inhibitor to have any therpeutic value it would need to selectively inhibit mutant SOD.

The time taken by test jobs varied greatly often taking longer than typical jobs giving above average numbers of hits.



 
query: 1PTZ-Q1
% jobs complete: 100.000
molecules: 39,628,437
hits: 54,249
time: 6:020:21:34:04
Pictures   D DiDonato et al J Mol Biol (2003) 334.1 p175   last updated: 18:42 on 04-AUG-05

Peptide deformylase

 

Peptide deformylase (PDF) is a recognised target for new types of antibiotics. This enzyme is essential for the removal of the formyl group on the N-terminus of peptides. Comparison with the hits from this query relating to Staphylococcus aureus and those from Plasmodium falciparum (1RL4-Q1) might be interesting.

The jobs for this query often take longer than typical jobs giving more hits.



 
query: 1Q1Y-Q2
% jobs complete: 100.000
molecules: 39,627,453
hits: 352,740
time: 19:038:01:43:59
Pictures   A Kreusch et al J Mol Biol (2003) 330.2 p 309-21   last updated: 18:14 on 10-JUN-05

Glycogen Synthase Kinase 3 (GSK-3) b

 

Glycogen Synthase Kinase 3 (GSK-3) b belongs to the serine/threonine kinase family of proteins and occurs widely in a variety of different cell types. It has been suggested that selective small molecule inhibitors of GSK-3b may have a variety of therapeutic uses including the treatment of neurodegenerative diseases, type II diabetes and cancer. At this time we do not have collaborative agreements in place to utilise the results from this query and consequently this query is being processed as part of the Proteome project.

Jobs for this query are completed in less time than many other recent protein targets.



 
query: 1Q41-Q1
% jobs complete: 100.000
molecules: 510,586,208
hits: 1,593,709
time: 24:125:01:02:45
Pictures   J A Bertrand et al, J Mol Biol (2003) 333.2 p393-407   last updated: 12:17 on 13-DEC-04

Glycogen Synthase Kinase 3 (GSK-3) b

 

Glycogen Synthase Kinase 3 (GSK-3) b belongs to the serine/threonine kinase family of proteins and occurs widely in a variety of different cell types. It has been suggested that selective small molecule inhibitors of GSK-3b may have a variety of therapeutic uses including the treatment of neurodegenerative diseases, type II diabetes and cancer. This query is based on a different crystal structure to 1Q41-Q1.

Jobs for this query are completed in less time than typical protein targets giving more hits.



 
query: 1Q5K-Q1
% jobs complete: 100.000
molecules: 39,627,794
hits: 160,933
time: 5:309:08:09:46
Pictures   R Bhat et al, J Biol Chem (2003) 278 p45937   last updated: 00:13 on 26-JUL-05

Estrogen-b receptor

 

The estrogen receptor belongs to the family of Nuclear Receptors which trigger protein synthesis (via DNA transcription). It has been suggested that stimulating the Estrogen-b receptor in the brain might be therapeutically useful in the treatment of Alzheimer's disease. Inhibiting the Estrogen-a ligand binding domain is thought to have potential in cancer therapy (see 1sj0-q1).

This query gave more hits than typical jobs with jobs taking longer than average.



 
query: 1QKM-Q1
% jobs complete: 100.000
molecules: 39,650,347
hits: 123,213
time: 15:049:19:03:07
Pictures   L Zhao and R D Brinton, J Med Chem (2005) 48.10 3463-6   last updated: 18:00 on 31-DEC-05

Caspase-3

 

Caspases play a key role in inflammation and apoptosis (cell death). Inhibition of this enzyme would be expected to prolong cell-life. In some neurodegenerative diseases, neuron death is associated with progression of the disease and a caspase-8 inhibitor might be therapeutically useful. Such a therapy may also be of benefit to stroke victims.

This query gave above average numbers of hits in test jobs taking longer than average.



 
query: 1QTN-Q1
% jobs complete: 100.000
molecules: 39,650,598
hits: 175,121
time: 16:282:15:08:42
Pictures   W Watt et al, Structure (1999) 7 p1135   last updated: 12:07 on 23-SEP-05

Caspase-3

 

Caspases play a key role in inflammation and apoptosis (cell death). Inhibition of this enzyme would be expected to prolong cell-life. In some neurodegenerative diseases, neuron death is associated with progression of the disease and a caspase-3 inhibitor might be therapeutically useful. Such a therapy may also be of benefit to stroke victims.

This query gave a variable number of hits a selection of test jobs.



 
query: 1RHM-Q1
% jobs complete: 100.000
molecules: 39,627,554
hits: 193,920
time: 4:029:22:37:10
Pictures   J W Becker et al, J Med Chem (2004) 47.10 p2466-74   last updated: 18:20 on 02-MAR-05

Prostaglandin D-2 11-ketoreductase

 

Non-steroidal anti-inflammatory drugs (NSAID) have been prescribed for cancer and other therapies where there is significant inflammation. Such drugs are often not as selective as they might be and this might be responsible for some of the undesirable side-effects. Prostaglandin D-2 11-ketoreductase is found in a broad range of tissues and its therapeutic potential is not fully understood.

These jobs vary but often take less time than most typical jobs giving average numbers of hits.



 
query: 1S2A-Q1
% jobs complete: 100.000
molecules: 39,627,608
hits: 90,836
time: 2:200:16:08:05
Pictures   A L Lovering et al Cancer Res (2004) 64.5 1802-10   last updated: 18:14 on 30-JUN-05

Udp-N-Acetylglucosamine 4-Epimerase

 

Udp-N-Acetylglucosamine 4-Epimerase is a member of a family of UDP-hexose 4-epimerases and is related to UDP-Galactose 4-epimerase. Both of these enzymes play important roles in the biosynthesis of cell wall components. An inhibitor would be expected to have anti-bacterial properties.

Job times for this query took longer than typical jobs giving above average numbers of hits.



 
query: 1SB8-Q1
% jobs complete: 100.000
molecules: 39,650,417
hits: 503,768
time: 24:059:17:54:15
Pictures   N Ishiyama et al J Biol Chem (2004) 279.21 p22635-42   last updated: 00:04 on 31-OCT-05

Proline Dehydrogenase

 

Proline Dehydrogenase is associated with increased proline levels in patients with schizophrenia. It has been suggested that a molecule which inhibits Proline Dehydrogenase might be therapeutically beneficial.

The test jobs times were variable with some jobs taking longer than average and giving more hits.



 
query: 1TIW-Q1
% jobs complete: 100.000
molecules: 39,648,136
hits: 497,017
time: 11:150:20:17:36
Pictures   M Zhang et al, Biochemistry (2004) 43.39 p12539-48   last updated: 12:03 on 26-NOV-05

Calpain

 

Certain neurodegenerative conditions are associated with damage to the nerve axons or termini. It has been reported that Calpain inhibitors offer some protection to such nerve damage. Such inhibitors may have potential as drugs in autoimmune and other neurodegenerative diseases. This query is based on a different crystal structure to 1nx3-q1.

These jobs take longer than most typical jobs giving average numbers of hits.



 
query: 1TL9-Q1
% jobs complete: 100.000
molecules: 39,648,172
hits: 234,121
time: 26:245:20:06:15
Pictures   G M O Hanlon et al Brain (2003) 126.11 p2497-2509   last updated: 00:00 on 24-JAN-06

Beta-secretase (Memapsin 2)

 

Beta-secretase is a recognised drug design target for Alzheimer's disease for which peptide inhibitors are already known. Such inhibitors are of little clinical use because of their high molecular mass. This query is based on a different crystal structure to 1fkn-q3, 1m4h-q2 and 1sx7-q1.

Test jobs for this query gave more hits than average with jobs taker longer than usual.



 
query: 1TQF-Q1
% jobs complete: 100.000
molecules: 39,649,320
hits: 597,997
time: 37:017:02:40:19
Pictures   L Hong et al Science (2000) 290 p150   last updated: 12:07 on 23-SEP-05

Kainate receptor (GluR5)

 

Glutamate is the primary neurotransmitter in the mammalian nervous system. GluR5 kainate receptor has been shown to be associated with pain transmission. An inhibitor would have potential for pain relief with fewer side-effects. This query is based on a different crystal structure to 1ycj-q1.

Test job times and number of this for this query varied.



 
query: 1TXF-Q1
% jobs complete: 100.000
molecules: 39,653,614
hits: 136,271
time: 6:026:19:05:17
Pictures   P Naur et al FEBS Lett (2005) 579.5 p1154-60   last updated: 12:00 on 20-JAN-06

Amyloidb-Peptide- Binding Alchohol Dehydrogenase (ABAD)

 

Amyloidb-Peptide- Binding Alchohol Dehydrogenase (ABAD) is also known as 17b-hydroxysteroid dehydrogenase type 10 (HSD10). It has been implicated in the development of Alzheimer's disease. ABAD binds to bamyloid and plays a role in the neurotoxicity. An inhibitor which stops this binding might be useful therapeutically in the treatment of Alzheimers disease.

We expect most jobs for this query to take longer than average giving more hits than usual.



 
query: 1U7T-Q1
% jobs complete: 100.000
molecules: 39,651,029
hits: 338,613
time: 11:006:03:53:45
Pictures   C R Kissinger et al J Mol Biol (2004) 342.3 p943-52   last updated: 18:40 on 13-SEP-05

c-Jun N-terminal kinases (JNKs)

 

c-Jun N-terminal kinases (JNKs) is a mitogen-activated protein kinase (MAPK) and they are thought to play a role in cell death (JNK3), immune cell function (JNK1 and JNK2), and progressive neurological disease (JNK1). We have previously targeted JNK1 (1PMN-Q1) and selectivity for JNK3 over JNK1 may be important therapeutically.

Test jobs gave above average numbers of hits taking longer than typical.



 
query: 1UKH-Q1
% jobs complete: 100.000
molecules: 39,627,520
hits: 19,339
time: 8:335:12:54:46
Pictures   L Resnick & M Fennell DDT (2004) 9.21 p932-939   last updated: 00:08 on 06-AUG-05

Metalloproteinase-12 (Mmp-12)

 

Metalloproteinase-12 (Mmp-12) is also known as Macrophage Elastase and has been suggested as a possible drug target in the treatment of Alzheimer's disease. MMP-12 is also known to play a role in inflammatory processes including emphysema reducing lung function and also in Multiple Sclerosis where it may mediate the deposition of Amyloid proteins.

Job times for this query varied sometimes taking longer than typical jobs and giving above average numbers of hits.



 
query: 1UTT-Q1
% jobs complete: 100.000
molecules: 39,649,270
hits: 1,527,468
time: 19:067:09:31:21
Pictures   R Morales et al J Mol Biol (2004) 341 p1063   last updated: 18:09 on 31-OCT-05

Angiotensin Converting Enzyme 1 (ACE-1)

 

Angiotensin Converting Enzyme 1 (ACE-1) is a recognised hypertension target.

Job times for this query do vary and are sometimes longer than typical jobs giving typical numbers of hits.



 
query: 1UZE-Q1
% jobs complete: 100.000
molecules: 39,627,500
hits: 93,209
time: 11:173:03:20:55
Pictures   R Natesh et al Biochemistry (2004) 43 p8718   last updated: 12:17 on 31-MAR-05

P38 MAP kinase

 

This protein plays a crucial role in regulating the production of proinflammatory signalling molecules of the immune system. Consequently, blocking the function of this kinase using a small molecule inhibitor has potential as an effective therapy for treating a wide range of inflammatory diseases. This query is based on a different crystal structure to 1kv2.

The job times vary but take about 10 hours on average on a typical PC giving more than typical numbers of hits.



 
query: 1W7H-Q1
% jobs complete: 100.000
molecules: 39,654,026
hits: 191,792
time: 11:227:10:45:21
Pictures   C Pargellis et al, Nat. Struct. Biol. (2002) 9.4 p268-72   last updated: 18:04 on 04-SEP-05

Beta-secretase (Memapsin 2)

 

Beta-secretase is a recognised drug design target for Alzheimer's disease for which peptide inhibitors are already known. Such inhibitors are of little clinical use because of their high molecular mass. This query is based on a different crystal structure to 1fkn-q3 and 1m4h-q2.

Test jobs for this query gave more hits than average with jobs taker longer than usual.



 
query: 1XS7-Q1
% jobs complete: 100.000
molecules: 39,654,221
hits: 413,547
time: 12:158:02:46:16
Pictures   L Hong et al Science (2000) 290 p150   last updated: 06:05 on 14-SEP-05

Udp-N-Acetylglucosamine 1-Carboxyvinyl Transferase (Mura)

 

Udp-N-Acetylglucosamine 1-Carboxyvinyl Transferase (Mura) catalyses an important biosynthetic pathway in bacterial peptidoglycan synthesis used in cell walls. As a result, this enzyme is regarded as a target for novel antibacterial drugs.

On average test jobs completed faster than usual giving fewer hits.



 
query: 1YBG-Q1
% jobs complete: 100.000
molecules: 39,647,487
hits: 102,076
time: 3:307:03:04:31
Pictures   S Eschenburg et al J Biol Chem (2005) 280.14 p14070-5   last updated: 00:21 on 11-OCT-05

Kainate receptor (GluR5)

 

Glutamate is the primary neurotransmitter in the mammalian nervous system. GluR5 kainate receptor has been shown to be associated with pain transmission. An inhibitor would have potential for pain relief with fewer side-effects.

Job times for this query took longer than typical jobs giving slightly above average numbers of hits.



 
query: 1YCJ-Q1
% jobs complete: 100.000
molecules: 39,660,192
hits: 172,002
time: 10:136:11:59:59
Pictures   P Naur et al FEBS Lett (2005) 579.5 p1154-60   last updated: 00:04 on 29-OCT-05

p53

 

p53 is a common protein that triggers events leading to cell death. In tumour cells this is desirable - see 1ycr-q3 and 1rv1-q2 It has been suggested that inhibiting p53 in Alzheimer's and Parkinson's diseases can prevent the death of some brain cells and might be therefore of therapeutic value.

These jobs take longer than most typical jobs giving average numbers of hits.



 
query: 1YCS-Q1
% jobs complete: 100.000
molecules: 39,627,472
hits: 188,884
time: 12:346:08:02:03
Pictures   X Zhu et al J Med Chem (2002) 45 p5090-7   last updated: 06:10 on 29-JUN-05

Glycogen phosphorylase

 

Glycogen phosphorylase is recognised as a potential antidiabetic target as it plays a role in metabolising glucose. At present, there are no collaborations in place to utilise these results and consequently this query is being processed as part of the proteome project. This query is based on a different crystal structures to 1h5u-q1, 1b4d-q1 and 1c8l.

The test jobs took slightly longer than typical jobs and have larger number of hits than average.



 
query: 2GPA-Q1
% jobs complete: 100.000
molecules: 39,650,101
hits: 634,934
time: 9:131:02:54:05
Pictures   N G Oikonomakos et al Bioorg Med Chem (2002) 10.5 p1313-9   last updated: 12:49 on 09-SEP-05

Uridine Diphospho-N-Acetylenolpyruvylglucosamine Reductase (MurB)

 

Uridine Diphospho-N-Acetylenolpyruvylglucosamine Reductase (MurB) catalyses the second step in the biosynthetic pathway in bacterial peptidoglycan synthesis used in cell walls. As a result, this enzyme is regarded as a target for novel antibacterial drugs.

Jobs times for this query are expected to take longer than typical jobs and give more hits than usual.



 
query: 2MBR-Q1
% jobs complete: 100.000
molecules: 39,648,754
hits: 177,286
time: 10:286:19:45:21
Pictures   T E Benson et al Biochemistry (1997) 36.4 p806-11   last updated: 12:05 on 31-OCT-05

Tyrosine phosphatase SHP-2

 

The molecular signalling associated with Diabetes and Obesity is complicated and not fully understand. Tyrosine phosphatase SHP-2 plays a role in this and it has been suggested that it may be an appropriate drug target.

Most test jobs took longer than average jobs and gave more hits.



 
query: 2SHP-Q2
% jobs complete: 100.000
molecules: 39,644,307
hits: 79,784
time: 19:161:21:43:39
Pictures   P Hof et al, Cell (1998) 92 p 441-450   last updated: 12:00 on 24-JAN-06

Scytalone dehydratase

 

Scytalone dehydratase plays a role in fungal melanin biosynthesis in the fungus which causes rice blast disease. Selective inhibitors of this enzyme has the potential to be a useful fungicide.

We expect this queries to give few hits taking less time than typical jobs.



 
query: 2STD-Q2
% jobs complete: 100.000
molecules: 39,627,455
hits: 714
time: 2:157:18:41:37
Pictures   M Nakasako et al Biochemistry (1998) 37.28 p9931-9   last updated: 18:09 on 15-MAR-05

Methionine aminopeptidase

 

This target may be relevant in the treatment of microbial and fungal infections.

The jobs for this query are completed faster than typical jobs - especially those which give few or no hits.



 
query: 3MAT-Q1
% jobs complete: 100.000
molecules: 39,627,665
hits: 298,980
time: 6:321:17:53:12
Pictures   W T Lowther et al Biochemistry (1999) 38.24 p7678-88   last updated: 00:06 on 09-APR-05

Peroxisome proliferator-activated receptor g (PPAR-

 

The peroxisome proliferator-activated receptors g(PPAR-g) are ligand-activated transcription factors belonging to the nuclear receptor family. The therapeutic potential of this receptor is not fully appreciated. It has been suggested that this is a possible target for anti-obesity drugs and anti-diabetic - although some selectivity may be required. This query is based on a different crystal structure to 1i7i-q1.

The test jobs times were typical giving normal numbers of hits.



 
query: 4PRG-Q1
% jobs complete: 100.000
molecules: 39,649,890
hits: 44,899
time: 3:227:21:47:32
Pictures   P Cronet et al Structure (2001) 9.8 p699-706   last updated: 12:07 on 22-SEP-05