2DM6
 
 | | Crystal structure of anti-configuration of indomethacin and leukotriene B4 12-hydroxydehydrogenase/15-oxo-prostaglandin 13-reductase complex | | Descriptor: | INDOMETHACIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent leukotriene B4 12-hydroxydehydrogenase, ... | | Authors: | Hori, T, Ishijima, J, Yokomizo, T, Ago, H, Shimizu, T, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-04-20 | | Release date: | 2006-11-28 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of anti-configuration of indomethacin and leukotriene B4 12-hydroxydehydrogenase/15-oxo-prostaglandin 13-reductase complex reveals the structural basis of broad spectrum indomethacin efficacy
J.Biochem.(Tokyo), 140, 2006
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3WPG
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3W3M
 | | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 2 | | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2012-12-22 | | Release date: | 2013-04-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands
Science, 339, 2013
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3VJH
 | | Human PPAR GAMMA ligand binding domain in complex with JKPL35 | | Descriptor: | (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | | Deposit date: | 2011-10-20 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype.
J.Med.Chem., 55, 2012
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3WPI
 | | Crystal structure of mouse TLR9 in complex with inhibitory DNA_super | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*CP*CP*TP*CP*AP*AP*TP*AP*GP*GP*GP*TP*GP*AP*GP*GP*GP*G)-3'), Toll-like receptor 9 | | Authors: | Ohto, U, Shimizu, T. | | Deposit date: | 2014-01-11 | | Release date: | 2015-02-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.246 Å) | | Cite: | Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9
Nature, 520, 2015
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3WST
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3WPH
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2COV
 | | Crystal structure of CBM31 from beta-1,3-xylanase | | Descriptor: | beta-1,3-xylanase | | Authors: | Hashimoto, H, Tamai, Y, Okazaki, F, Tamaru, Y, Shimizu, T, Araki, T, Sato, M. | | Deposit date: | 2005-05-18 | | Release date: | 2005-09-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The first crystal structure of a family 31 carbohydrate-binding module with affinity to beta-1,3-xylan
Febs Lett., 579, 2005
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3W4J
 | | 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
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4QC0
 | | Crystal structure of human TLR8 in complex with XG-1-236 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine, Toll-like receptor 8, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2014-05-09 | | Release date: | 2014-10-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Determinants of Activity at Human Toll-like Receptors 7 and 8: Quantitative Structure-Activity Relationship (QSAR) of Diverse Heterocyclic Scaffolds
J.Med.Chem., 57, 2014
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3WN4
 | | Crystal structure of human TLR8 in complex with DS-877 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-butylfuro[2,3-c]quinolin-4-amine, Toll-like receptor 8, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2013-12-02 | | Release date: | 2014-02-19 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure-based design of novel human Toll-like receptor 8 agonists.
Chemmedchem, 9, 2014
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3W4I
 | | 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
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3W4K
 | | 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
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2OFF
 | | The crystal structure of Glycogen Phosphorylase b in complex with a potent allosteric inhibitor | | Descriptor: | 2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID, Glycogen phosphorylase, muscle form | | Authors: | Tiraidis, C, Alexacou, K.-M, Zographos, S.E, Leonidas, D.D, Gimisis, T, Oikonomakos, N.G. | | Deposit date: | 2007-01-03 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | FR258900, a potential anti-hyperglycemic drug, binds at the allosteric site of glycogen phosphorylase
Protein Sci., 16, 2007
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4G8A
 | | Crystal structure of human TLR4 polymorphic variant D299G and T399I in complex with MD-2 and LPS | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ohto, U, Shimizu, T. | | Deposit date: | 2012-07-23 | | Release date: | 2012-10-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analyses of human Toll-like receptor 4 polymorphisms D299G and T399I
J.Biol.Chem., 287, 2012
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2A0B
 | | HISTIDINE-CONTAINING PHOSPHOTRANSFER DOMAIN OF ARCB FROM ESCHERICHIA COLI | | Descriptor: | HPT DOMAIN, ZINC ION | | Authors: | Kato, M, Mizuno, T, Shimizu, T, Hakoshima, T. | | Deposit date: | 1998-04-02 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Refined structure of the histidine-containing phosphotransfer (HPt) domain of the anaerobic sensor kinase ArcB from Escherichia coli at 1.57 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
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3VIQ
 | | Crystal structure of Swi5-Sfr1 complex from fission yeast | | Descriptor: | GLYCEROL, Mating-type switching protein swi5, NITRATE ION, ... | | Authors: | Kuwabara, N, Murayama, Y, Hashimoto, H, Kokabu, Y, Ikeguchi, M, Sato, M, Mayanagi, K, Tsutsui, Y, Iwasaki, H, Shimizu, T. | | Deposit date: | 2011-10-06 | | Release date: | 2012-08-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanistic insights into the activation of Rad51-mediated strand exchange from the structure of a recombination activator, the Swi5-Sfr1 complex
Structure, 20, 2012
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3VQ1
 | | Crystal structure of mouse TLR4/MD-2/lipid IVa complex | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ohto, U, Shimizu, T. | | Deposit date: | 2012-03-17 | | Release date: | 2012-05-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of species-specific endotoxin sensing by innate immune receptor TLR4/MD-2
Proc.Natl.Acad.Sci.USA, 109, 2012
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2ZFD
 | | The crystal structure of plant specific calcium binding protein AtCBL2 in complex with the regulatory domain of AtCIPK14 | | Descriptor: | ACETIC ACID, CALCIUM ION, Calcineurin B-like protein 2, ... | | Authors: | Akaboshi, M, Hashimoto, H, Ishida, H, Koizumi, N, Sato, M, Shimizu, T. | | Deposit date: | 2007-12-29 | | Release date: | 2008-02-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The crystal structure of plant-specific calcium-binding protein AtCBL2 in complex with the regulatory domain of AtCIPK14
J.Mol.Biol., 377, 2008
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3VQ2
 | | Crystal structure of mouse TLR4/MD-2/LPS complex | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ohto, U, Shimizu, T. | | Deposit date: | 2012-03-17 | | Release date: | 2012-05-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural basis of species-specific endotoxin sensing by innate immune receptor TLR4/MD-2
Proc.Natl.Acad.Sci.USA, 109, 2012
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3VIR
 | | Crystal strcture of Swi5 from fission yeast | | Descriptor: | Mating-type switching protein swi5, octyl beta-D-glucopyranoside | | Authors: | Kuwabara, N, Yamada, N, Hashimoto, H, Sato, M, Iwasaki, H, Shimizu, T. | | Deposit date: | 2011-10-06 | | Release date: | 2012-08-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanistic insights into the activation of Rad51-mediated strand exchange from the structure of a recombination activator, the Swi5-Sfr1 complex
Structure, 20, 2012
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2DEX
 | | Crystal structure of human peptidylarginine deiminase 4 in complex with histone H3 N-terminal peptide including Arg17 | | Descriptor: | 10-mer peptide from histone H3, CALCIUM ION, Protein-arginine deiminase type IV, ... | | Authors: | Arita, K, Shimizu, T, Hashimoto, H, Hidaka, Y, Yamada, M, Sato, M. | | Deposit date: | 2006-02-18 | | Release date: | 2006-04-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for histone N-terminal recognition by human peptidylarginine deiminase 4
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2DEW
 | | Crystal structure of human peptidylarginine deiminase 4 in complex with histone H3 N-terminal tail including Arg8 | | Descriptor: | 10-mer peptide from histone H3, CALCIUM ION, Protein-arginine deiminase type IV, ... | | Authors: | Arita, K, Shimizu, T, Hashimoto, H, Hidaka, Y, Yamada, M, Sato, M. | | Deposit date: | 2006-02-18 | | Release date: | 2006-04-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for histone N-terminal recognition by human peptidylarginine deiminase 4
Proc.Natl.Acad.Sci.Usa, 103, 2006
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3VKX
 | | Structure of PCNA | | Descriptor: | 3,5,3'TRIIODOTHYRONINE, CHLORIDE ION, Proliferating cell nuclear antigen, ... | | Authors: | Hashimoto, H, Hishiki, A, Shimizu, T, Sato, M, Punchihewa, C, Connelly, M, Actis, M, Waddell, B, Pagala, V, Fujii, N. | | Deposit date: | 2011-11-26 | | Release date: | 2012-03-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of small molecule proliferating cell nuclear antigen (PCNA) inhibitor that disrupts interactions with PIP-box proteins and inhibits DNA replication
J.Biol.Chem., 287, 2012
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2DEY
 | | Crystal structure of human peptidylarginine deiminase 4 in complex with histone H4 N-terminal tail including Arg3 | | Descriptor: | 10-mer peptide from histone H4, CALCIUM ION, Protein-arginine deiminase type IV, ... | | Authors: | Arita, K, Shimizu, T, Hashimoto, H, Hidaka, Y, Yamada, M, Sato, M. | | Deposit date: | 2006-02-18 | | Release date: | 2006-04-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for histone N-terminal recognition by human peptidylarginine deiminase 4
Proc.Natl.Acad.Sci.Usa, 103, 2006
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