4HAI
| Crystal structure of human soluble epoxide hydrolase complexed with N-cycloheptyl-1-(mesitylsulfonyl)piperidine-4-carboxamide. | Descriptor: | Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide, ... | Authors: | Pecic, S, Pakhomova, S, Newcomer, M.E, Morisseau, C, Hammock, B.D, Zhu, Z, Deng, S. | Deposit date: | 2012-09-26 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Synthesis and structure-activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
1VJ5
| Human soluble Epoxide Hydrolase- N-cyclohexyl-N'-(4-iodophenyl)urea complex | Descriptor: | HEXAETHYLENE GLYCOL, MAGNESIUM ION, N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA, ... | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 2004-02-03 | Release date: | 2004-04-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of human epoxide hydrolase reveals mechanistic inferences on bifunctional catalysis in epoxide and phosphate ester hydrolysis Biochemistry, 43, 2004
|
|
8B6S
| X-ray structure of the haloalkane dehalogenase HaloTag7 fusion to the green fluorescent protein GFP (ChemoG1) labeled with a chloroalkane tetramethylrhodamine fluorophore substrate | Descriptor: | CHLORIDE ION, GLYCEROL, Green fluorescent protein,Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Hellweg, L, Hiblot, J. | Deposit date: | 2022-09-27 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A general method for the development of multicolor biosensors with large dynamic ranges. Nat.Chem.Biol., 19, 2023
|
|
8B6T
| X-ray structure of the interface optimized haloalkane dehalogenase HaloTag7 fusion to the green fluorescent protein GFP (ChemoG5-TMR) labeled with a chloroalkane tetramethylrhodamine fluorophore substrate | Descriptor: | CHLORIDE ION, Green fluorescent protein,Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | Authors: | Tarnawski, M, Hellweg, L, Hiblot, J. | Deposit date: | 2022-09-27 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A general method for the development of multicolor biosensors with large dynamic ranges. Nat.Chem.Biol., 19, 2023
|
|
8B6Q
| X-ray structure of the haloalkane dehalogenase HaloTag7 with an insertion of Calmodulin-M13 fusion at position 154-156 that mimic the structure of CaProLa, an calcium gated protein labeling technology | Descriptor: | CALCIUM ION, CHLORIDE ION, Haloalkane dehalogenase,Calmodulin-1,Haloalkane dehalogenase,Calmodulin-1,M13 peptide | Authors: | Tarnawski, M, Johnsson, K, Hiblot, J. | Deposit date: | 2022-09-27 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray structure of the haloalkane dehalogenase HaloTag7 with an insertion of Calmodulin-M13 fusion at position 154-156 that mimic the structure of CaProLa, an calcium gated protein labeling technology To Be Published
|
|
3WK9
| Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | Descriptor: | 5-(4-bromobenzyl)-1,3-thiazol-2-amine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Amano, Y, Yamaguchi, T, Tanabe, E. | Deposit date: | 2013-10-18 | Release date: | 2014-04-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography. Bioorg.Med.Chem., 22, 2014
|
|
3WKD
| Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | Descriptor: | Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide, ... | Authors: | Amano, Y, Yamaguchi, T, Tanabe, E. | Deposit date: | 2013-10-18 | Release date: | 2014-04-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography. Bioorg.Med.Chem., 22, 2014
|
|
3WKC
| Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | Descriptor: | 4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Amano, Y, Yamaguchi, T, Tanabe, E. | Deposit date: | 2013-10-18 | Release date: | 2014-04-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography. Bioorg.Med.Chem., 22, 2014
|
|
3WK6
| Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | Descriptor: | (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Amano, Y, Yamaguchi, T, Tanabe, E. | Deposit date: | 2013-10-17 | Release date: | 2014-04-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography. Bioorg.Med.Chem., 22, 2014
|
|
3WK4
| Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | Descriptor: | 1-[(1R)-1-cyclopropylethyl]-3-phenylurea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Amano, Y, Yamaguchi, T, Tanabe, E. | Deposit date: | 2013-10-17 | Release date: | 2014-04-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography. Bioorg.Med.Chem., 22, 2014
|
|
3WK7
| Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | Descriptor: | 2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Amano, Y, Yamaguchi, T, Tanabe, E. | Deposit date: | 2013-10-17 | Release date: | 2014-04-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography. Bioorg.Med.Chem., 22, 2014
|
|
4Y2Q
| |
4Y2R
| |
4Y2X
| Structure of soluble epoxide hydrolase in complex with 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol | Descriptor: | 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | Authors: | Amano, Y, Yamaguchi, T. | Deposit date: | 2015-02-10 | Release date: | 2015-05-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
|
|
4Y2Y
| |
4Y2U
| Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate | Descriptor: | Bifunctional epoxide hydrolase 2, MAGNESIUM ION, tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate | Authors: | Amano, Y, Yamaguchi, T. | Deposit date: | 2015-02-10 | Release date: | 2015-05-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
|
|
4Y2J
| |
4Y2P
| |
4Y2T
| |
4Y2V
| |
4Y2S
| |
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
|
|
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
|
|
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
|
|
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
|
|