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8W85
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BU of 8w85 by Molmil
HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE01 Fab heavy chain, DQN0385AE01 Fab light chain, ...
Authors:Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
Deposit date:2023-08-31
Release date:2023-11-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.769 Å)
Cite:Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease
Nat Commun, 14, 2023
8W84
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BU of 8w84 by Molmil
HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ...
Authors:Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
Deposit date:2023-08-31
Release date:2023-11-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease
Nat Commun, 14, 2023
8W83
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BU of 8w83 by Molmil
HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ...
Authors:Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
Deposit date:2023-08-31
Release date:2023-11-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.818 Å)
Cite:Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease
Nat Commun, 14, 2023
8W86
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BU of 8w86 by Molmil
HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE02 Fab heavy chain, DQN0385AE02 Fab light chain, ...
Authors:Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
Deposit date:2023-08-31
Release date:2023-11-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.236 Å)
Cite:Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease
Nat Commun, 14, 2023
4PM0
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BU of 4pm0 by Molmil
PDE7A catalytic domain in complex with 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivative
Descriptor: 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ...
Authors:Kawai, K, Endo, Y, Asano, T, Amano, S, Sawada, K, Ueo, N, Takahashi, N, Sonoda, Y, Kamei, N, Nagata, N.
Deposit date:2014-05-20
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one Derivatives as a New Series of Potent Phosphodiesterase 7 Inhibitors.
J.Med.Chem., 57, 2014
4Y2B
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BU of 4y2b by Molmil
Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A
Descriptor: 3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ...
Authors:Endo, Y, Kawai, K, Asano, T, Amano, S, Asanuma, Y, Sawada, K, Onodera, Y, Ueo, N, Takahashi, N, Sonoda, Y, Kamei, N, Irie, T.
Deposit date:2015-02-09
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2-(Isopropylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as selective phosphodiesterase 7 inhibitors with potent in vivo efficacy
Bioorg.Med.Chem.Lett., 25, 2015
4JY3
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BU of 4jy3 by Molmil
Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-pyridoxic acid bound form
Descriptor: 1,2-ETHANEDIOL, 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid, ...
Authors:Kobayashi, J, Yoshida, H, Kamitori, S, Hayashi, H, Mizutani, K, Takahashi, N, Mikami, B, Yagi, T.
Deposit date:2013-03-29
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
4KEP
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BU of 4kep by Molmil
Crystal structure of 4-pyridoxolactonase, wild-type
Descriptor: 1,2-ETHANEDIOL, 4-pyridoxolactonase, ACETATE ION, ...
Authors:Kobayashi, J, Yoshikane, Y, Baba, S, Mizutani, K, Takahashi, N, Mikami, B, Yagi, T.
Deposit date:2013-04-26
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure of 4-pyridoxolactonase from Mesorhizobium loti.
Acta Crystallogr.,Sect.F, 70, 2014
4KEQ
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BU of 4keq by Molmil
Crystal structure of 4-pyridoxolactonase, 5-pyridoxolactone bound
Descriptor: 1,2-ETHANEDIOL, 4-pyridoxolactonase, 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one, ...
Authors:Kobayashi, J, Yoshikane, Y, Baba, S, Mizutani, K, Takahashi, N, Mikami, B, Yagi, T.
Deposit date:2013-04-26
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.279 Å)
Cite:Structure of 4-pyridoxolactonase from Mesorhizobium loti.
Acta Crystallogr.,Sect.F, 70, 2014
4JY2
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BU of 4jy2 by Molmil
Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, native and unliganded form
Descriptor: 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, BETA-MERCAPTOETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kobayashi, J, Yoshida, H, Kamitori, S, Hayashi, H, Mizutani, K, Takahashi, N, Mikami, B, Yagi, T.
Deposit date:2013-03-28
Release date:2014-04-02
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
5XBX
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BU of 5xbx by Molmil
Crystal structure of GH45 endoglucanase EG27II in complex with cellobiose
Descriptor: Endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
Deposit date:2017-03-21
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
5XCA
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BU of 5xca by Molmil
Crystal structure of GH45 endoglucanase EG27II D137A mutant in complex with cellobiose
Descriptor: Endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
Deposit date:2017-03-22
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
5XC8
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BU of 5xc8 by Molmil
Crystal structure of GH45 endoglucanase EG27II at pH5.5, in complex with cellobiose
Descriptor: Endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
Deposit date:2017-03-22
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
5AX3
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BU of 5ax3 by Molmil
Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors.
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 1, allosteric and ATP-competitive inhibitor
Authors:Kinoshita, T, Sugiyama, H, Mori, Y, Takahashi, N, Tomonaga, A.
Deposit date:2015-07-14
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay
Bioorg.Med.Chem.Lett., 26, 2016
6J4H
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BU of 6j4h by Molmil
Crystal Structure of maltotriose-complex of PulA-G680L mutant from Klebsiella pneumoniae
Descriptor: CALCIUM ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2019-01-09
Release date:2019-09-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase.
Acta Crystallogr D Struct Biol, 75, 2019
6J35
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BU of 6j35 by Molmil
Crystal structure of ligand-free of PulA-G680L mutant from Klebsiella pneumoniae
Descriptor: CALCIUM ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2019-01-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase.
Acta Crystallogr D Struct Biol, 75, 2019
6J33
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BU of 6j33 by Molmil
Crystal structure of ligand-free of PulA from Klebsiella pneumoniae
Descriptor: ACETATE ION, CALCIUM ION, MAGNESIUM ION, ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2019-01-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.297 Å)
Cite:Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase.
Acta Crystallogr D Struct Biol, 75, 2019
6J34
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BU of 6j34 by Molmil
Crystal Structure of maltotriose-complex of PulA from Klebsiella pneumoniae
Descriptor: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2019-01-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Relationship between the induced-fit loop and the activity of Klebsiella pneumoniae pullulanase.
Acta Crystallogr D Struct Biol, 75, 2019
1UHG
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BU of 1uhg by Molmil
Crystal Structure of S-Ovalbumin At 1.9 Angstrom Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ovalbumin, ...
Authors:Yamasaki, M, Takahashi, N, Hirose, M.
Deposit date:2003-07-03
Release date:2003-07-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of S-ovalbumin as a Non-loop-inserted Thermostabilized Serpin Form
J.Biol.Chem., 278, 2003
1VDN
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BU of 1vdn by Molmil
Crystal Structure Of Yeast Cyclophilin A Complexed With ACE-Ala-Ala-Pro-Ala-7-Amino-4-Methylcoumarin
Descriptor: (ACE)AAPA(MCM), Cyclophilin A
Authors:Konno, M, Shibano, T, Okudaira, K, Takahashi, N.
Deposit date:2004-03-24
Release date:2005-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure Of Yeast Cyclophilin A Complexed With ACE-Ala-Ala-Pro-Ala-7-Amino-4-Methylcoumarin
to be published
5YNA
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BU of 5yna by Molmil
Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM alpha-cyclodextrin
Descriptor: ACETATE ION, CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2017-10-24
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
5YNC
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BU of 5ync by Molmil
Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM beta-cyclodextrin
Descriptor: ACETATE ION, CALCIUM ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2017-10-24
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
5YNE
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BU of 5yne by Molmil
Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 10 mM alpha-cyclodextrin
Descriptor: CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), DI(HYDROXYETHYL)ETHER, ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2017-10-24
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
5YN2
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BU of 5yn2 by Molmil
Crystal structure of apo Pullulanase from Klebsiella pneumoniae in space group P43212
Descriptor: CALCIUM ION, MAGNESIUM ION, PulA protein
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2017-10-24
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
5YN7
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BU of 5yn7 by Molmil
Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 0.1 mM beta-cyclodextrin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2017-10-24
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018

 

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