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4Y59
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Crystal structure of ALiS1-Streptavidin complex
分子名称: 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one, Streptavidin
著者Sugiyama, S, Terai, T, Kohno, M, Ishida, H, Nagano, T.
登録日2015-02-11
公開日2015-09-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
J.Am.Chem.Soc., 137, 2015
4Y5D
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CRYSTAL STRUCTURE OF ALiS2-STREPTAVIDIN COMPLEX
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, DIMETHYL SULFOXIDE, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Terai, T, Kohno, M, Ishida, H, Nagano, T.
登録日2015-02-11
公開日2015-09-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
J.Am.Chem.Soc., 137, 2015
5XE9
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BU of 5xe9 by Molmil
Crystal Structure of the Complex of the Peptidase Domain of Streptococcus mutans ComA with a Small Molecule Inhibitor.
分子名称: Putative ABC transporter, ATP-binding protein ComA, [(1~{S},2~{R},4~{S},5~{R})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{N}-propylcarbamate
著者Ishii, S, Fukui, K, Yokoshima, S, Kumagai, K, Beniyama, Y, Kodama, T, Fukuyama, T, Okabe, T, Nagano, T, Kojima, H, Yano, T.
登録日2017-04-03
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献High-throughput Screening of Small Molecule Inhibitors of the Streptococcus Quorum-sensing Signal Pathway
Sci Rep, 7, 2017
5XE8
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Crystal Structure of the Peptidase Domain of Streptococcus mutans ComA
分子名称: DI(HYDROXYETHYL)ETHER, Putative ABC transporter, ATP-binding protein ComA
著者Ishii, S, Fukui, K, Yokoshima, S, Kumagai, K, Beniyama, Y, Kodama, T, Fukuyama, T, Okabe, T, Nagano, T, Kojima, H, Yano, T.
登録日2017-04-03
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献High-throughput Screening of Small Molecule Inhibitors of the Streptococcus Quorum-sensing Signal Pathway
Sci Rep, 7, 2017
3VGW
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Crystal structure of monoAc-biotin-avidin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid, Avidin, ...
著者Terai, T, Maki, E, Sugiyama, S, Takahashi, Y, Matsumura, H, Mori, Y, Nagano, T.
登録日2011-08-21
公開日2011-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rational development of caged-biotin protein-labeling agents and some applications in live cells
Chem.Biol., 18, 2011
3VHH
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Crystal structure of DiMe-biotin-avidin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(3aS,4S,6aR)-1,3-dimethyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid, Avidin, ...
著者Terai, T, Maki, E, Sugiyama, S, Takahashi, Y, Matsumura, H, Mori, Y, Nagano, T.
登録日2011-08-25
公開日2011-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Rational development of caged-biotin protein-labeling agents and some applications in live cells
Chem.Biol., 18, 2011
3VHI
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BU of 3vhi by Molmil
Crystal structure of monoZ-biotin-avidin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid, Avidin, ...
著者Terai, T, Maki, E, Sugiyama, S, Takahashi, Y, Matsumura, H, Mori, Y, Nagano, T.
登録日2011-08-25
公開日2011-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Rational development of caged-biotin protein-labeling agents and some applications in live cells
Chem.Biol., 18, 2011
3VHM
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Crystal structure of NPC-biotin-avidin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(3aS,4R,6aR)-1-{[(1R)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid, Avidin, ...
著者Terai, T, Maki, E, Sugiyama, S, Takahashi, Y, Matsumura, H, Mori, Y, Nagano, T.
登録日2011-08-29
公開日2011-12-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational development of caged-biotin protein-labeling agents and some applications in live cells
Chem.Biol., 18, 2011
8H3M
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Conformation 1 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy chain, Spike glycoprotein
著者Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y.
登録日2022-10-09
公開日2023-05-10
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants.
J.Virol., 97, 2023
8H3N
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Conformation 2 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy-chain, MO1 light chain, ...
著者Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y.
登録日2022-10-09
公開日2023-05-10
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants.
J.Virol., 97, 2023
4ENY
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Crystal Structure of Pim-1 kinase in complex with (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-methoxybenzylidene)thiazolidin-4-one
分子名称: (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Parker, L.J, Handa, N, Yokoyama, S.
登録日2012-04-13
公開日2012-08-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
4ENX
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Crystal Structure of Pim-1 Kinase in complex with inhibitor (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-nitrobenzylidene)thiazolidin-4-one
分子名称: (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Parker, L.J, Handa, N, Yokoyama, S.
登録日2012-04-13
公開日2012-08-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
4ZY3
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Crystal Structure of Keap1 in Complex with a small chemical compound, K67
分子名称: FORMIC ACID, Kelch-like ECH-associated protein 1, N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)
著者Fukutomi, T, Iso, T, Suzuki, T, Takagi, K, Mizushima, T, Komatsu, M, Yamamoto, M.
登録日2015-05-21
公開日2016-05-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献p62/Sqstm1 promotes malignancy of HCV-positive hepatocellular carcinoma through Nrf2-dependent metabolic reprogramming
Nat Commun, 7, 2016
5WQJ
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Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
分子名称: 2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide, SODIUM ION, Sulfurtransferase
著者Suwanai, Y, Toma-Fukai, S, Shimizu, T.
登録日2016-11-27
公開日2017-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
5WQK
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Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
分子名称: 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one, SODIUM ION, Sulfurtransferase
著者Suwanai, Y, Toma-Fukai, S, Shimizu, T.
登録日2016-11-27
公開日2017-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
4WUA
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Crystal structure of human SRPK1 complexed to an inhibitor SRPIN340
分子名称: CITRIC ACID, N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide, SRSF protein kinase 1, ...
著者Hoshina, M, Ikura, T, Hosoya, T, Hagiwara, M, Ito, N.
登録日2014-10-31
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a Dual Inhibitor of SRPK1 and CK2 That Attenuates Pathological Angiogenesis of Macular Degeneration in Mice
Mol.Pharmacol., 88, 2015
6LEH
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Crystal structure of Autotaxin in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Nishimasu, H, Osamu, N.
登録日2019-11-25
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of PotentIn VivoAutotaxin Inhibitors that Bind to Both Hydrophobic Pockets and Channels in the Catalytic Domain.
J.Med.Chem., 63, 2020
5B5G
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Crystal structure of ALiS4-Streptavidin complex
分子名称: SULFITE ION, Streptavidin, methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate
著者Sugiyama, S, Terai, T, Kakinouchi, K, Fujikake, R, Nagano, T, Urano, Y.
登録日2016-05-04
公開日2017-03-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Improving the Solubility of Artificial Ligands of Streptavidin to Enable More Practical Reversible Switching of Protein Localization in Cells
Chembiochem, 18, 2017
5B5F
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Crystal structure of ALiS3-Streptavidin complex
分子名称: N-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide, Streptavidin
著者Sugiyama, S, Terai, T, Kakinouchi, K, Fujikake, R, Nagano, T, Urano, Y.
登録日2016-05-04
公開日2017-03-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Improving the Solubility of Artificial Ligands of Streptavidin to Enable More Practical Reversible Switching of Protein Localization in Cells
Chembiochem, 18, 2017
3UIX
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BU of 3uix by Molmil
Crystal structure of Pim1 kinase in complex with small molecule inhibitor
分子名称: 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J.
登録日2011-11-06
公開日2012-04-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A novel pim-1 kinase inhibitor targeting residues that bind the substrate Peptide.
J.Mol.Biol., 417, 2012
3UMW
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Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one
分子名称: (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one, GLYCEROL, Proto-oncogene serine/threonine-protein kinase pim-1, ...
著者Parker, L.J, Handa, N, Yokoyama, S.
登録日2011-11-14
公開日2012-10-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound.
J.Med.Chem., 55, 2012
3UMX
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Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one
分子名称: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one, Proto-oncogene serine/threonine-protein kinase pim-1, SULFATE ION
著者Parker, L.J, Handa, N, Yokoyama, S.
登録日2011-11-15
公開日2012-08-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
3WAW
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Crystal Structure of Autotaxin in Complex with 2BoA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2013-05-09
公開日2013-07-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
3WAY
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Crystal Structure of Autotaxin in Complex with 4BoA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2013-05-09
公開日2013-07-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
3WAX
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Crystal Structure of Autotaxin in Complex with 3BoA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2013-05-09
公開日2013-07-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013

 

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