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3WKC
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BU of 3wkc by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
分子名称: 4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Amano, Y, Yamaguchi, T, Tanabe, E.
登録日2013-10-18
公開日2014-04-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.
Bioorg.Med.Chem., 22, 2014
3WK6
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BU of 3wk6 by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
分子名称: (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Amano, Y, Yamaguchi, T, Tanabe, E.
登録日2013-10-17
公開日2014-04-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.
Bioorg.Med.Chem., 22, 2014
3WK4
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BU of 3wk4 by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
分子名称: 1-[(1R)-1-cyclopropylethyl]-3-phenylurea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Amano, Y, Yamaguchi, T, Tanabe, E.
登録日2013-10-17
公開日2014-04-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.
Bioorg.Med.Chem., 22, 2014
3WK7
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BU of 3wk7 by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
分子名称: 2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Amano, Y, Yamaguchi, T, Tanabe, E.
登録日2013-10-17
公開日2014-04-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.
Bioorg.Med.Chem., 22, 2014
3WKA
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BU of 3wka by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
分子名称: 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Amano, Y, Yamaguchi, T, Tanabe, E.
登録日2013-10-18
公開日2014-04-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.
Bioorg.Med.Chem., 22, 2014
3WKB
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BU of 3wkb by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
分子名称: 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Amano, Y, Yamaguchi, T, Tanabe, E.
登録日2013-10-18
公開日2014-04-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.
Bioorg.Med.Chem., 22, 2014
3WKE
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BU of 3wke by Molmil
Crystal structure of soluble epoxide hydrolase in complex with t-AUCB
分子名称: 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Amano, Y, Yamaguchi, T, Tanabe, E.
登録日2013-10-18
公開日2014-04-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.
Bioorg.Med.Chem., 22, 2014
3WK8
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BU of 3wk8 by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
分子名称: 6-(trifluoromethyl)-1,3-benzothiazol-2-amine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Amano, Y, Yamaguchi, T, Tanabe, E.
登録日2013-10-17
公開日2014-04-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.
Bioorg.Med.Chem., 22, 2014
3WK5
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BU of 3wk5 by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
分子名称: 2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Amano, Y, Yamaguchi, T, Tanabe, E.
登録日2013-10-17
公開日2014-04-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.
Bioorg.Med.Chem., 22, 2014
3WK9
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BU of 3wk9 by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
分子名称: 5-(4-bromobenzyl)-1,3-thiazol-2-amine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Amano, Y, Yamaguchi, T, Tanabe, E.
登録日2013-10-18
公開日2014-04-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.
Bioorg.Med.Chem., 22, 2014
5ALO
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BU of 5alo by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 3-BENZYL-3-METHYL-5-(1-METHYLPYRAZOL-4-YL)INDOLIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AM5
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BU of 5am5 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-cyclohexyl-3-propyl-1H-pyridin-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-09
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALT
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BU of 5alt by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AM4
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BU of 5am4 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-09
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALU
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BU of 5alu by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALV
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BU of 5alv by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 3-(3-fluorophenyl)-1H-pyrazole, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALN
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BU of 5aln by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-(4-FLUOROPHENYL)-3,3-DIMETHYL-INDOLIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALZ
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BU of 5alz by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALX
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BU of 5alx by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALQ
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BU of 5alq by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALY
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BU of 5aly by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALR
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BU of 5alr by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL]QUINAZOLIN-4-AMINE, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALW
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BU of 5alw by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALP
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BU of 5alp by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AM0
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BU of 5am0 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015

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