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4Y2J
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BU of 4y2j by Molmil
Structure of soluble epoxide hydrolase in complex with N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
Descriptor: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.15 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
4Y2P
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BU of 4y2p by Molmil
Structure of soluble epoxide hydrolase in complex with N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
Descriptor: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 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
4Y2T
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BU of 4y2t by Molmil
Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol
Descriptor: 3-[4-(benzyloxy)phenyl]propan-1-ol, 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 (2.4 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
4Y2V
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BU of 4y2v by Molmil
Structure of soluble epoxide hydrolase in complex with (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid
Descriptor: (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid, 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 (2.4 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
4Y2S
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BU of 4y2s by Molmil
Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol
Descriptor: 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 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
3W4K
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BU of 3w4k by Molmil
Crystal Structure of human DAAO in complex with coumpound 13
Descriptor: 3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M.
Deposit date:2013-01-09
Release date:2013-05-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors.
J.Med.Chem., 56, 2013
3W4J
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BU of 3w4j by Molmil
Crystal Structure of human DAAO in complex with coumpound 12
Descriptor: 3-hydroxy-5-(2-phenylethyl)pyridin-2(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M.
Deposit date:2013-01-09
Release date:2013-05-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors.
J.Med.Chem., 56, 2013
3W4I
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BU of 3w4i by Molmil
Crystal Structure of human DAAO in complex with coumpound 8
Descriptor: D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, pyridine-2,3-diol
Authors:Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M.
Deposit date:2013-01-09
Release date:2013-05-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors.
J.Med.Chem., 56, 2013
3A5W
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BU of 3a5w by Molmil
Peroxiredoxin (wild type) from Aeropyrum pernix K1 (reduced form)
Descriptor: Probable peroxiredoxin
Authors:Nakamura, T, Kado, Y, Yamaguchi, T, Matsumura, H, Ishikawa, K, Inoue, T.
Deposit date:2009-08-12
Release date:2009-10-27
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of peroxiredoxin from Aeropyrum pernix K1 complexed with its substrate, hydrogen peroxide
J.Biochem., 147, 2010
3WMG
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BU of 3wmg by Molmil
Crystal structure of an inward-facing eukaryotic ABC multidrug transporter G277V/A278V/A279V mutant in complex with an cyclic peptide inhibitor, aCAP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-binding cassette, sub-family B, ...
Authors:Kodan, A, Yamaguchi, T, Nakatsu, T, Sakiyama, K, Hipolito, C.J, Fujioka, A, Hirokane, R, Ikeguchi, K, Watanabe, B, Hirtake, J, Kimura, Y, Suga, H, Ueda, K, Kato, H.
Deposit date:2013-11-18
Release date:2014-04-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WME
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BU of 3wme by Molmil
Crystal structure of an inward-facing eukaryotic ABC multidrug transporter
Descriptor: ATP-binding cassette, sub-family B, member 1, ...
Authors:Kodan, A, Yamaguchi, T, Nakatsu, T, Kato, H.
Deposit date:2013-11-18
Release date:2014-03-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WMF
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BU of 3wmf by Molmil
Crystal structure of an inward-facing eukaryotic ABC multitrug transporter G277V/A278V/A279V mutant
Descriptor: ATP-binding cassette, sub-family B, member 1, ...
Authors:Kodan, A, Yamaguchi, T, Nakatsu, T, Kato, H.
Deposit date:2013-11-18
Release date:2014-03-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WNX
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BU of 3wnx by Molmil
Crystal structure of ERGIC-53/MCFD2, Calcium/Man3-bound form
Descriptor: CALCIUM ION, Multiple coagulation factor deficiency protein 2, Protein ERGIC-53, ...
Authors:Satoh, T, Suzuki, K, Yamaguchi, T, Kato, K.
Deposit date:2013-12-18
Release date:2014-01-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis for Disparate Sugar-Binding Specificities in the Homologous Cargo Receptors ERGIC-53 and VIP36
Plos One, 9, 2014
3WKE
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BU of 3wke by Molmil
Crystal structure of soluble epoxide hydrolase in complex with t-AUCB
Descriptor: 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, ...
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 (2.75 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
3WK8
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BU of 3wk8 by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
Descriptor: 6-(trifluoromethyl)-1,3-benzothiazol-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 (2.2 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
3WKA
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BU of 3wka by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
Descriptor: 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione, 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 (2.01 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
3WKB
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BU of 3wkb by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
Descriptor: 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one, 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
3WK5
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BU of 3wk5 by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
Descriptor: 2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide, 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 (2.77 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
3WK9
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BU of 3wk9 by Molmil
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
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BU of 3wkd by Molmil
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
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BU of 3wkc by Molmil
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
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BU of 3wk6 by Molmil
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
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BU of 3wk4 by Molmil
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
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BU of 3wk7 by Molmil
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
6A22
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BU of 6a22 by Molmil
Ternary complex of Human ROR gamma Ligand Binding Domain With Compound T.
Descriptor: 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
Authors:Noguchi, M, Nomura, A, Doi, S, Yamaguchi, K, Adachi, T.
Deposit date:2018-06-08
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Ternary crystal structure of human ROR gamma ligand-binding-domain, an inhibitor and corepressor peptide provides a new insight into corepressor interaction
Sci Rep, 8, 2018

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数据于2024-05-29公开中

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