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PDB: 75 results

4XVE
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17beta-HSD5 in complex with 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one
Descriptor: 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-01-27
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 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
8WQZ
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BU of 8wqz by Molmil
X-ray Crystal Structure of Pseudoazurin Met16Gly variant
Descriptor: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Pseudoazurin
Authors:Sugai, A, Yamaguchi, T, Kohzuma, T.
Deposit date:2023-10-12
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray Crystal Structure of Pseudoazurin Met16Gly variant
To Be Published
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
8HM9
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BU of 8hm9 by Molmil
X-ray Crystal Structure of Pseudoazurin Met16His Variant at pH 4.0
Descriptor: COPPER (II) ION, Pseudoazurin
Authors:Aoyama, Y, Yamaguchi, T, Kohzuma, T.
Deposit date:2022-12-02
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:X-ray Crystal Structure of Pseudoazurin Met16His Variant at pH 4.0
To Be Published
4Y2Q
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BU of 4y2q by Molmil
Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
Descriptor: 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine, 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
4Y2R
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BU of 4y2r by Molmil
Structure of soluble epoxide hydrolase in complex with 2-(piperazin-1-yl)nicotinonitrile
Descriptor: 2-(piperazin-1-yl)pyridine-3-carbonitrile, 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 (2.45 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
4Y2X
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BU of 4y2x by Molmil
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
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BU of 4y2y by Molmil
Structure of soluble epoxide hydrolase in complex with 2-(2-fluorophenyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine
Descriptor: 2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine, 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 (2.3 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
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
6KNF
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BU of 6knf by Molmil
CryoEM map and model of Nitrite Reductase at pH 6.2
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase
Authors:Adachi, N, Yamaguchi, T, Moriya, T, Kawasaki, M, Koiwai, K, Shinoda, A, Yamada, Y, Yumoto, F, Kohzuma, T, Senda, T.
Deposit date:2019-08-05
Release date:2020-08-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:2.85 and 2.99 angstrom resolution structures of 110 kDa nitrite reductase determined by 200 kV cryogenic electron microscopy.
J.Struct.Biol., 213, 2021
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
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
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
6KNG
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BU of 6kng by Molmil
CryoEM map and model of Nitrite Reductase at pH 8.1
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase
Authors:Adachi, N, Yamaguchi, T, Moriya, T, Kawasaki, M, Koiwai, K, Shinoda, A, Yamada, Y, Yumoto, F, Kohzuma, T, Senda, T.
Deposit date:2019-08-05
Release date:2020-08-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:2.85 and 2.99 angstrom resolution structures of 110 kDa nitrite reductase determined by 200 kV cryogenic electron microscopy.
J.Struct.Biol., 213, 2021
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:2024-10-30
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
6IFP
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BU of 6ifp by Molmil
X-ray Crystal Structure of Pseudoazurin Met16Ile Variant
Descriptor: COPPER (II) ION, Pseudoazurin
Authors:Sakai, C, Yamaguchi, T, Kohzuma, T.
Deposit date:2018-09-20
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:X-ray Crystal Structure of Pseudoazurin Met16Leu Variant
To Be Published
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
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
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

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