2X24
| bovine ACC2 CT domain in complex with inhibitor | Descriptor: | ACETYL-COA CARBOXYLASE, TERT-BUTYL [(TRANS-4-{[({2-[4-(AMINOMETHYL)PHENYL]QUINOLIN-4-YL}CARBONYL)AMINO]METHYL}CYCLOHEXYL)METHYL]CARBAMATE | Authors: | Oster, L, Folmer, R, Blaho, S, Wiberg, F, Hallberg, K. | Deposit date: | 2010-01-11 | Release date: | 2011-01-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of Small Molecule Inhibitors of Acetyl-Coa Carboxylase 1 and 2 Showing Reduction of Hepatic Malonyl-Coa Levels in Vivo in Obese Zucker Rats. Bioorg.Med.Chem., 19, 2011
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5AI6
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-BROMOQUINOLINE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-12 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5ALE
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 4-chloro-2-isoxazol-5-yl-phenol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AI5
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 1,3-DIPHENYLUREA, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-12 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKK
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 6-bromo-1,3-dihydro-2H-indol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AI9
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-12 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AIC
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 7-methyl-2H-1,4-benzothiazin-3(4H)-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-12 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKZ
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 1-CYCLOHEXYL-3-METHYL-UREA, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-05 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AK4
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 3-METHYL-4-PHENYL-1H-PYRAZOLE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-02 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKE
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AI4
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-12 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKG
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-(2-thienyl)-1,3,4-thiadiazol-2-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKX
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-iodanyl-1H-indazole, DIMETHYL SULFOXIDE, SOLUBLE EPOXIDE HYDROLASE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-05 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5ALG
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKJ
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AK6
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-02 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKY
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 3-(2-phenylethyl)-1H-indazole, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-05 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AK5
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-02 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKH
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AI0
| Ligand complex structure of soluble epoxide hydrolase | Descriptor: | 4-PHENYL-1,2,5-OXADIAZOL-3-AMINE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-11 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5ALL
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | DIMETHYL SULFOXIDE, SOLUBLE EPOXIDE HYDROLASE, SULFATE ION, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AM1
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 4-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AM5
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-cyclohexyl-3-propyl-1H-pyridin-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-09 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5ALO
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 3-BENZYL-3-METHYL-5-(1-METHYLPYRAZOL-4-YL)INDOLIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AM4
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-09 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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