5ZWP
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2DGA
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![BU of 2dga by Molmil](/molmil-images/mine/2dga) | Crystal structure of hexameric beta-glucosidase in wheat | Descriptor: | Beta-glucosidase, GLYCEROL, SULFATE ION | Authors: | Sue, M, Yamazaki, K, Miyamoto, T, Yajima, S. | Deposit date: | 2006-03-10 | Release date: | 2006-07-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular and Structural Characterization of Hexameric beta-D-Glucosidases in Wheat and Rye. Plant Physiol., 141, 2006
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3AIW
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![BU of 3aiw by Molmil](/molmil-images/mine/3aiw) | Crystal structure of beta-glucosidase in rye complexed with 2-deoxy-2-fluoroglucoside and dinitrophenol | Descriptor: | 2,4-DINITROPHENOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucosidase | Authors: | Sue, M, Nakamura, C, Miyamoto, T, Yajima, S. | Deposit date: | 2010-05-18 | Release date: | 2011-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae Plant Sci., 180, 2011
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3AIS
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![BU of 3ais by Molmil](/molmil-images/mine/3ais) | Crystal structure of a mutant beta-glucosidase in wheat complexed with DIMBOA-Glc | Descriptor: | (2S)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, Beta-glucosidase, beta-D-glucopyranose | Authors: | Sue, M, Nakamura, C, Miyamoto, T, Yajima, S. | Deposit date: | 2010-05-18 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae Plant Sci., 180, 2011
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3AIQ
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![BU of 3aiq by Molmil](/molmil-images/mine/3aiq) | Crystal structure of beta-glucosidase in wheat complexed with an aglycone DIMBOA | Descriptor: | 2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE, Beta-glucosidase | Authors: | Sue, M, Nakamura, C, Miyamoto, T, Yajima, S. | Deposit date: | 2010-05-18 | Release date: | 2011-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae Plant Sci., 180, 2011
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3AIU
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![BU of 3aiu by Molmil](/molmil-images/mine/3aiu) | Crystal structure of beta-glucosidase in rye | Descriptor: | Beta-glucosidase, GLYCEROL, SULFATE ION | Authors: | Sue, M, Nakamura, C, Miyamoto, T, Yajima, S. | Deposit date: | 2010-05-18 | Release date: | 2011-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae Plant Sci., 180, 2011
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3AIV
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![BU of 3aiv by Molmil](/molmil-images/mine/3aiv) | Crystal structure of beta-glucosidase in rye complexed with an aglycone DIMBOA | Descriptor: | 2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE, Beta-glucosidase | Authors: | Sue, M, Nakamura, C, Miyamoto, T, Yajima, S. | Deposit date: | 2010-05-18 | Release date: | 2011-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae Plant Sci., 180, 2011
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3AIR
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![BU of 3air by Molmil](/molmil-images/mine/3air) | Crystal structure of beta-glucosidase in wheat complexed with 2-deoxy-2-fluoroglucoside and dinitrophenol | Descriptor: | 2,4-DINITROPHENOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucosidase | Authors: | Sue, M, Nakamura, C, Miyamoto, T, Yajima, S. | Deposit date: | 2010-05-18 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae Plant Sci., 180, 2011
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5YGV
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![BU of 5ygv by Molmil](/molmil-images/mine/5ygv) | Crystal structure of the abscisic acid receptor PYR1 in complex with an antagonist | Descriptor: | (2Z,4E)-3-methyl-5-[(1S,4S)-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid, Abscisic acid receptor PYR1 | Authors: | Akiyama, T, Sue, M, Takeuchi, J, Mimura, N, Okamoto, M, Monda, K, Iba, K, Ohnishi, T, Todoroki, Y, Yajima, S. | Deposit date: | 2017-09-27 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Chemical Design of Abscisic Acid Antagonists That Block PYL-PP2C Receptor Interactions. ACS Chem. Biol., 13, 2018
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7DTP
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![BU of 7dtp by Molmil](/molmil-images/mine/7dtp) | Crystal structure of agmatine coumaroyltransferase from Triticum aestivum | Descriptor: | agmatine coumaroyltransferase | Authors: | Yamane, M, Takenoya, M, Sue, M, Yajima, S. | Deposit date: | 2021-01-06 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular and structural characterization of agmatine coumaroyltransferase in Triticeae, the key regulator of hydroxycinnamic acid amide accumulation. Phytochemistry, 189, 2021
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7CYS
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![BU of 7cys by Molmil](/molmil-images/mine/7cys) | Crystal structure of barley agmatine coumaroyltransferase (HvACT), an N-acyltransferase in BAHD superfamily | Descriptor: | Agmatine coumaroyltransferase-1 | Authors: | Yamane, M, Takenoya, M, Sue, M, Yajima, S. | Deposit date: | 2020-09-04 | Release date: | 2020-12-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of barley agmatine coumaroyltransferase, an N-acyltransferase from the BAHD superfamily. Acta Crystallogr.,Sect.F, 76, 2020
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3WG8
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![BU of 3wg8 by Molmil](/molmil-images/mine/3wg8) | Crystal structure of the abscisic acid receptor PYR1 in complex with an antagonist AS6 | Descriptor: | (2Z,4E)-5-[(1S)-3-(hexylsulfanyl)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYR1 | Authors: | Akiyama, T, Sue, M, Takeuchi, J, Okamoto, M, Muto, T, Endo, A, Nambara, E, Hirai, N, Ohnishi, T, Cutler, S.R, Todoroki, Y, Yajima, S. | Deposit date: | 2013-07-31 | Release date: | 2014-05-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Designed abscisic acid analogs as antagonists of PYL-PP2C receptor interactions Nat.Chem.Biol., 10, 2014
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2H4O
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![BU of 2h4o by Molmil](/molmil-images/mine/2h4o) | X-ray Crystal Structure of Protein yonK from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR415 | Descriptor: | YonK protein | Authors: | Seetharaman, J, Sue, M, Forouhar, F, Ken, C, Bonnie, C, Ma, L, Xiao, R, Acton, T.B, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-05-24 | Release date: | 2006-07-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the hypothetical protein from bacillus subtilis (yonk). To be Published
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3VWX
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![BU of 3vwx by Molmil](/molmil-images/mine/3vwx) | Structural analysis of an epsilon-class glutathione S-transferase from housefly, Musca domestica | Descriptor: | GLUTATHIONE, Glutathione s-transferase 6B | Authors: | Nakamura, C, Sue, M, Miyamoto, T, Yajima, S. | Deposit date: | 2012-09-05 | Release date: | 2013-02-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of an epsilon-class glutathione transferase from housefly, Musca domestica Biochem.Biophys.Res.Commun., 430, 2013
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4X8Y
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![BU of 4x8y by Molmil](/molmil-images/mine/4x8y) | Crystal structure of human PGRMC1 cytochrome b5-like domain | Descriptor: | Membrane-associated progesterone receptor component 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nakane, T, Yamamoto, T, Shimamura, T, Kobayashi, T, Kabe, Y, Suematsu, M. | Deposit date: | 2014-12-11 | Release date: | 2016-03-23 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Haem-dependent dimerization of PGRMC1/Sigma-2 receptor facilitates cancer proliferation and chemoresistance Nat Commun, 7, 2016
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2YVA
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![BU of 2yva by Molmil](/molmil-images/mine/2yva) | Crystal structure of Escherichia coli DiaA | Descriptor: | DnaA initiator-associating protein diaA | Authors: | Keyamura, K, Fujikawa, N, Ishida, T, Ozaki, S, Suetsugu, M, Kagawa, W, Yokoyama, S, Kurumizaka, H, Katayama, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-10 | Release date: | 2008-01-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The interaction of DiaA and DnaA regulates the replication cycle in E. coli by directly promoting ATP DnaA-specific initiation complexes Genes Dev., 21, 2007
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3VH9
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![BU of 3vh9 by Molmil](/molmil-images/mine/3vh9) | Crystal structure of Aeromonas proteolytica aminopeptidase complexed with 8-quinolinol | Descriptor: | Bacterial leucyl aminopeptidase, CHLORIDE ION, GLYCEROL, ... | Authors: | Saijo, S, Hanaya, K, Suetsugu, M, Kobayashi, K, Yamato, I, Aoki, S. | Deposit date: | 2011-08-24 | Release date: | 2012-05-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Potent inhibition of dinuclear zinc(II) peptidase, an aminopeptidase from Aeromonas proteolytica, by 8-quinolinol derivatives: inhibitor design based on Zn(2+) fluorophores, kinetic, and X-ray crystallographic study. J.Biol.Inorg.Chem., 17, 2012
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7BQ3
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![BU of 7bq3 by Molmil](/molmil-images/mine/7bq3) | X-ray structure of human PPARalpha ligand binding domain-GW7647-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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7BQ4
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![BU of 7bq4 by Molmil](/molmil-images/mine/7bq4) | X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, ... | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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5KE0
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![BU of 5ke0 by Molmil](/molmil-images/mine/5ke0) | Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers | Descriptor: | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Hruza, A, Lim, J. | Deposit date: | 2016-06-09 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers. J.Med.Chem., 59, 2016
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6X3P
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![BU of 6x3p by Molmil](/molmil-images/mine/6x3p) | Co-structure of BTK kinase domain with L-005298385 inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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6X3N
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![BU of 6x3n by Molmil](/molmil-images/mine/6x3n) | Co-structure of BTK kinase domain with L-005085737 inhibitor | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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6X3O
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![BU of 6x3o by Molmil](/molmil-images/mine/6x3o) | Co-structure of BTK kinase domain with L-005191930 inhibitor | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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7BQ1
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![BU of 7bq1 by Molmil](/molmil-images/mine/7bq1) | X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-SRC1 coactivator peptide co-crystals obtained by co-crystallization | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, PALMITIC ACID, ... | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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7BQ2
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![BU of 7bq2 by Molmil](/molmil-images/mine/7bq2) | X-ray structure of human PPARalpha ligand binding domain-pemafibrate-SRC1 coactivator peptide co-crystals obtained by soaking | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, ... | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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