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6M88
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Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with myricetin
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M89
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Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
5F7H
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BU of 5f7h by Molmil
Human T-cell immunoglobulin and mucin domain protein 4 (hTIM-4) complex with phosphoserine
分子名称: CALCIUM ION, PHOSPHOSERINE, T-cell immunoglobulin and mucin domain-containing protein 4
著者Gao, G.F, Lu, G, Wang, H, Qi, J.
登録日2015-12-08
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of human TIM members: Ebolavirus entry-enhancing receptors
Chin.Sci.Bull., 60, 2015
7DHJ
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BU of 7dhj by Molmil
The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide
分子名称: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide, 3C-like proteinase
著者Shang, L.Q, Wang, H, Deng, W.L, Xing, S, Wang, Y.X.
登録日2020-11-15
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
4Q4C
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BU of 4q4c by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and synthetic 1,5-(PP)2-IP4 (1,5-IP8)
分子名称: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], ADENOSINE-5'-DIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, ...
著者Wang, H, Shears, S.B.
登録日2014-04-14
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation.
Angew.Chem.Int.Ed.Engl., 53, 2014
8JHO
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BU of 8jho by Molmil
Cryo-EM structure of the histone deacetylase complex Rpd3S in complex with di-nucleosome
分子名称: Chromatin modification-related protein EAF3, Di-nucleosome template foward, Di-nucleosome template reverse, ...
著者Wang, H.
登録日2023-05-25
公開日2023-09-27
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Structure of histone deacetylase complex Rpd3S bound to nucleosome.
Nat.Struct.Mol.Biol., 30, 2023
4Q4D
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BU of 4q4d by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and synthetic 3,5-(PP)2-IP4 (3,5-IP8)
分子名称: (1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
著者Wang, H, Shears, S.B.
登録日2014-04-14
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation.
Angew.Chem.Int.Ed.Engl., 53, 2014
5F7F
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BU of 5f7f by Molmil
Human T-cell immunoglobulin and mucin domain protein 4 (hTIM-4)
分子名称: T-cell immunoglobulin and mucin domain-containing protein 4
著者Gao, G.F, Lu, G, Wang, H, Qi, J.
登録日2015-12-08
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Crystal structures of human TIM members: Ebolavirus entry-enhancing receptors
Chin.Sci.Bull., 60, 2015
5F71
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Human T-cell immunoglobulin and mucin domain protein 3 (hTIM-3)
分子名称: Hepatitis A virus cellular receptor 2, SODIUM ION
著者Gao, G.F, Lu, G, Wang, H, Qi, J.
登録日2015-12-07
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Crystal structures of human TIM members: Ebolavirus entry-enhancing receptors
Chin.Sci.Bull., 60, 2015
5F70
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BU of 5f70 by Molmil
Crystal structures of human TIM members
分子名称: Hepatitis A virus cellular receptor 1
著者Gao, G.F, Lu, G, Wang, H, Qi, J.
登録日2015-12-07
公開日2016-02-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of human TIM members: Ebolavirus entry-enhancing receptors
Chin.Sci.Bull., 60, 2015
4HN2
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BU of 4hn2 by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and a substrate analog 5PA-IP5
分子名称: (2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
著者Wang, H.
登録日2012-10-18
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献First synthetic analogues of diphosphoinositol polyphosphates: interaction with PP-InsP(5) kinase.
Chem.Commun.(Camb.), 48, 2012
7DGB
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BU of 7dgb by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-4-methyl-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pentanamide
分子名称: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.678 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGH
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BU of 7dgh by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-2-naphthamide
分子名称: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGF
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BU of 7dgf by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)hexanamide
分子名称: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.639 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGG
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BU of 7dgg by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
分子名称: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
分子名称: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
2QLK
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Adenovirus AD35 fibre head
分子名称: Fiber, GLYCEROL
著者Liaw, Y.-C, Amiraslanov, I, Wang, H, Lieber, A.
登録日2007-07-13
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Identification of CD46 binding sites within the adenovirus serotype 35 fiber knob
J.Virol., 81, 2007
6LIU
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BU of 6liu by Molmil
Crystal structure of apo Tyrosine decarboxylase
分子名称: Tyrosine/DOPA decarboxylase 2
著者Yu, J, Wang, H, Yao, M.
登録日2019-12-13
公開日2020-02-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures clarify cofactor binding of plant tyrosine decarboxylase.
Biochem.Biophys.Res.Commun., 2019
6LK6
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MLKL mutant - T357AS358A
分子名称: Mixed lineage kinase domain-like protein
著者Wang, H, Li, S, Zhang, Y.
登録日2019-12-18
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The MLKL kinase-like domain dimerization is an indispensable step of mammalian MLKL activation in necroptosis signaling.
Cell Death Dis, 12, 2021
5WH5
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Crystal structure of the PDE4D2 catalytic domain in complex with inhibitor (R)-Zl-n-91
分子名称: 1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ...
著者Wang, H.
登録日2017-07-14
公開日2018-07-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of a PDE4-Specific Pocket for the Design of Selective Inhibitors.
Biochemistry, 57, 2018
6N5C
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BU of 6n5c by Molmil
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PCF2Am-InsP5
分子名称: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Wang, H, Shears, S.B, Riley, A, Potter, B.
登録日2018-11-21
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Synthesis of an alpha-phosphono-alpha , alpha-difluoroacetamide analogue of the diphosphoinositol pentakisphosphate 5-InsP7.
Medchemcomm, 10, 2019
1V3R
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BU of 1v3r by Molmil
Crystal structure of TT1020 from Thermus thermophilus HB8
分子名称: Nitrogen regulatory protein P-II
著者Wang, H, Sakai, H, Takemoto-Hori, C, Kaminishi, T, Yamaguchi, H, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-11-05
公開日2004-11-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8.
J.Struct.Biol., 149, 2005
1UFL
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BU of 1ufl by Molmil
Crystal Structure of TT1020 from Thermus thermophilus HB8
分子名称: Nitrogen regulatory protein P-II
著者Wang, H, Sakai, H, Hori-Takemoto, C, Kaminishi, T, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-05-31
公開日2003-11-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8.
J.Struct.Biol., 149, 2005
1VFJ
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BU of 1vfj by Molmil
Crystal structure of TT1020 from Thermus thermophilus HB8
分子名称: nitrogen regulatory protein p-II
著者Wang, H, Sakai, H, Takemoto-Hori, C, Kaminishi, T, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-04-15
公開日2005-01-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8
J.STRUCT.BIOL., 149, 2005
1V3S
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BU of 1v3s by Molmil
Crystal structure of TT1020 from Thermus thermophilus HB8
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II
著者Wang, H, Sakai, H, Takemoto-Hori, C, Kaminishi, T, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-11-05
公開日2004-11-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8.
J.Struct.Biol., 149, 2005

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