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6AA3
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BU of 6aa3 by Molmil
Crystal structure of MTH1 in apo form (cocktail No. 1)
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ZINC ION
Authors:Yokoyama, T, Kitakami, R, Mizuguchi, M.
Deposit date:2018-07-17
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
2JX8
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BU of 2jx8 by Molmil
Solution structure of hPCIF1 WW domain
Descriptor: Phosphorylated CTD-interacting factor 1
Authors:Kouno, T, Iwamoto, Y, Hirose, Y, Aizawa, T, Demura, M, Kawano, K, Ohkuma, Y, Mizuguchi, M.
Deposit date:2007-11-09
Release date:2008-11-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1H, 13C, and 15N resonance assignments of hPCIF1 WW domain
To be Published
6AA5
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BU of 6aa5 by Molmil
Crystal structure of MTH1 in complex with 3-isomangostin
Descriptor: 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ...
Authors:Yokoyama, T, Kitakami, R, Mizuguchi, M.
Deposit date:2018-07-17
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
6AAR
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BU of 6aar by Molmil
Crystal structure of DAPK1 in complex with purpurin
Descriptor: Death-associated protein kinase 1, Purpurin
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2018-07-19
Release date:2019-07-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and thermodynamic analyses of interactions between death-associated protein kinase 1 and anthraquinones.
Acta Crystallogr D Struct Biol, 76, 2020
6AJV
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BU of 6ajv by Molmil
Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3)
Descriptor: 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
5CG5
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BU of 5cg5 by Molmil
Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION
Authors:Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I.
Deposit date:2015-07-09
Release date:2015-10-14
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.402 Å), X-RAY DIFFRACTION
Cite:Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
J.Med.Chem., 58, 2015
5CG6
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BU of 5cg6 by Molmil
Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
Authors:Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I.
Deposit date:2015-07-09
Release date:2015-10-14
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
J.Med.Chem., 58, 2015
6AJX
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BU of 6ajx by Molmil
Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO
Descriptor: 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, SODIUM ION
Authors:Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJY
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BU of 6ajy by Molmil
Crystal structure of BRD4 in complex with 2',4'-dihydroxy-2-methoxychalcone
Descriptor: 2',4'-dihydroxy-2-methoxychalcone, Bromodomain-containing protein 4, SODIUM ION
Authors:Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJZ
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BU of 6ajz by Molmil
Joint nentron and X-ray structure of BRD4 in complex with colchicin
Descriptor: Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, SODIUM ION
Authors:Yokoyama, T, Ostermann, A, Schrader, T.E, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:NEUTRON DIFFRACTION (1.301 Å), X-RAY DIFFRACTION
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJW
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BU of 6ajw by Molmil
Crystal structure of BRD4 in complex with DMSO (Cocktail No. 4)
Descriptor: Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, SODIUM ION
Authors:Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
1IRR
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BU of 1irr by Molmil
Solution structure of paralytic peptide of the silkworm, Bombyx mori
Descriptor: paralytic peptide
Authors:Miura, K, Kamimura, M, Aizawa, T, Kiuchi, M, Hayakawa, Y, Mizuguchi, M, Kawano, K.
Deposit date:2001-10-23
Release date:2003-02-11
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of paralytic peptide of silkworm, Bombyx mori
peptides, 23, 2002
3U2J
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BU of 3u2j by Molmil
Neutron crystal structure of human Transthyretin
Descriptor: Transthyretin
Authors:Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N.
Deposit date:2011-10-03
Release date:2012-02-22
Last modified:2023-11-01
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin
J.Struct.Biol., 177, 2012
3U2I
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BU of 3u2i by Molmil
X-ray crystal structure of human Transthyretin at room temperature
Descriptor: Transthyretin
Authors:Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N.
Deposit date:2011-10-03
Release date:2012-02-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin
J.Struct.Biol., 177, 2012
2KOZ
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BU of 2koz by Molmil
Solution structure of nasonin-1
Descriptor: nasonin-1
Authors:Kouno, T, Tian, C, Luo, L, Zhu, S, Mizuguchi, M.
Deposit date:2009-10-04
Release date:2010-10-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of nasonin-1
To be Published
3A5P
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BU of 3a5p by Molmil
Crystal structure of hemagglutinin
Descriptor: Haemagglutinin I
Authors:Watanabe, N, Sakai, N, Nakamura, T, Nabeshima, Y, Kouno, T, Mizuguchi, M, Kawano, K.
Deposit date:2009-08-10
Release date:2010-08-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Structure of Physarum polycephalum hemagglutinin I suggests a minimal carbohydrate recognition domain of legume lectin fold
J.Mol.Biol., 405, 2011
2KP0
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BU of 2kp0 by Molmil
Solution structure of nasonin-1M
Descriptor: nasonin-1M
Authors:Kouno, T, Tian, C, Luo, L, Zhu, S, Mizuguchi, M.
Deposit date:2009-10-04
Release date:2010-10-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of nasonin-1M
To be Published
1V50
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BU of 1v50 by Molmil
Solution structure of phosphorylated N-terminal fragment of S100C/A11 protein
Descriptor: Calgizzarin
Authors:Kouno, T, Mizuguchi, M, Sakaguchi, M, Makino, E, Huh, N, Kawano, K.
Deposit date:2003-11-20
Release date:2005-03-22
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Study on structure-activity relationship between the N-terminal region of S100C protein and its function
Peptide Science, 40, 2003
1V4Z
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BU of 1v4z by Molmil
Solution structure of the N-terminal fragment of S100C/A11 protein
Descriptor: Calgizzarin
Authors:Kouno, T, Mizuguchi, M, Sakaguchi, M, Makino, E, Huh, N, Kawano, K.
Deposit date:2003-11-20
Release date:2005-03-22
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Study on structure-activity relationship between the N-terminal region of S100C protein and its function
Peptide Science, 40, 2003
1V49
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BU of 1v49 by Molmil
Solution structure of microtubule-associated protein light chain-3
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B
Authors:Kouno, T, Mizuguchi, M, Tanida, I, Ueno, T, Kominami, E, Kawano, K.
Deposit date:2003-11-11
Release date:2004-12-28
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of microtubule-associated protein light chain 3 and identification of its functional subdomains.
J.Biol.Chem., 280, 2005
5FVK
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BU of 5fvk by Molmil
Crystal structure of Vps4-Vfa1 complex from S.cerevisiae at 1.66 A resolution.
Descriptor: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 4, VPS4-ASSOCIATED PROTEIN 1
Authors:Kojima, R, Obita, T, Onoue, K, Mizuguchi, M.
Deposit date:2016-02-09
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.658 Å)
Cite:Structural Fine-Tuning of Mit Interacting Motif 2 (Mim2) and Allosteric Regulation of Escrt-III by Vps4 in Yeast.
J.Mol.Biol., 428, 2016
5FVL
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BU of 5fvl by Molmil
Crystal structure of Vps4-Vps20 complex from S.cerevisiae
Descriptor: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 20, VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 4
Authors:Kojima, R, Obita, T, Onoue, K, Mizuguchi, M.
Deposit date:2016-02-09
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Structural Fine-Tuning of Mit Interacting Motif 2 (Mim2) and Allosteric Regulation of Escrt-III by Vps4 in Yeast.
J.Mol.Biol., 428, 2016
5H0Z
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BU of 5h0z by Molmil
Crystal structure of P113A mutated human transthyretin
Descriptor: CHLORIDE ION, SULFATE ION, Transthyretin
Authors:Yokoyama, T, Hanawa, Y, Obita, T, Mizuguchi, M.
Deposit date:2016-10-07
Release date:2017-06-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.735 Å)
Cite:Stability and crystal structures of His88 mutant human transthyretins
FEBS Lett., 591, 2017
5H0V
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BU of 5h0v by Molmil
Crystal structure of H88A mutated human transthyretin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, Transthyretin
Authors:Yokoyama, T, Hanawa, Y, Obita, T, Mizuguchi, M.
Deposit date:2016-10-07
Release date:2017-06-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Stability and crystal structures of His88 mutant human transthyretins
FEBS Lett., 591, 2017
5H0X
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BU of 5h0x by Molmil
Crystal structure of H88S mutated human transthyretin
Descriptor: Transthyretin
Authors:Yokoyama, T, Hanawa, Y, Obita, T, Mizuguchi, M.
Deposit date:2016-10-07
Release date:2017-06-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.573 Å)
Cite:Stability and crystal structures of His88 mutant human transthyretins
FEBS Lett., 591, 2017

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