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4Y2U
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BU of 4y2u by Molmil
Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate
分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献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
分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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
分子名称: 3-[4-(benzyloxy)phenyl]propan-1-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者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.
登録日2013-01-09
公開日2013-05-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献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
分子名称: 3-hydroxy-5-(2-phenylethyl)pyridin-2(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者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.
登録日2013-01-09
公開日2013-05-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献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
分子名称: D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, pyridine-2,3-diol
著者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.
登録日2013-01-09
公開日2013-05-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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)
分子名称: Probable peroxiredoxin
著者Nakamura, T, Kado, Y, Yamaguchi, T, Matsumura, H, Ishikawa, K, Inoue, T.
登録日2009-08-12
公開日2009-10-27
最終更新日2014-01-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-binding cassette, sub-family B, ...
著者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.
登録日2013-11-18
公開日2014-04-30
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: ATP-binding cassette, sub-family B, member 1, ...
著者Kodan, A, Yamaguchi, T, Nakatsu, T, Kato, H.
登録日2013-11-18
公開日2014-03-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献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
分子名称: ATP-binding cassette, sub-family B, member 1, ...
著者Kodan, A, Yamaguchi, T, Nakatsu, T, Kato, H.
登録日2013-11-18
公開日2014-03-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: CALCIUM ION, Multiple coagulation factor deficiency protein 2, Protein ERGIC-53, ...
著者Satoh, T, Suzuki, K, Yamaguchi, T, Kato, K.
登録日2013-12-18
公開日2014-01-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献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
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
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
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
3WKD
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BU of 3wkd by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide, ...
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 (2.48 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
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
6A22
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BU of 6a22 by Molmil
Ternary complex of Human ROR gamma Ligand Binding Domain With Compound T.
分子名称: 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
著者Noguchi, M, Nomura, A, Doi, S, Yamaguchi, K, Adachi, T.
登録日2018-06-08
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献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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