7D9X
 
 | | Highly active mutant W525D of Gamma-glutamyltranspeptidase from Pseudomonas nitroreducens | | Descriptor: | GAMMA-BUTYROLACTONE, GLYCEROL, GLYCINE, ... | | Authors: | Hibi, T, Sano, C, Itoh, T, Wakayama, M. | | Deposit date: | 2020-10-14 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Mutagenesis and structure-based analysis of the role of Tryptophan525 of gamma-glutamyltranspeptidase from Pseudomonas nitroreducens.
Biochem.Biophys.Res.Commun., 534, 2021
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7WOX
 | | PPARgamma antagonist (MMT-160)- PPARgamma LBD complex | | Descriptor: | N-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide, Peroxisome proliferator-activated receptor gamma | | Authors: | Yoshizawa, M, Aoyama, T, Itoh, T, Miyachi, H. | | Deposit date: | 2022-01-22 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Arylalkynyl amide-type peroxisome proliferator-activated receptor gamma (PPAR gamma )-selective antagonists covalently bind to the PPAR gamma ligand binding domain with a unique binding mode.
Bioorg.Med.Chem.Lett., 64, 2022
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5B5B
 | | Crystal structure of VDR-LBD complexed with 2-methylidene-26,27-diphenyl-19-nor-1,25-dihydroxyvitamin D3 | | Descriptor: | (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Kato, A, Itoh, T, Yamamoto, K. | | Deposit date: | 2016-05-02 | | Release date: | 2016-06-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Helix12-Stabilization Antagonist of Vitamin D Receptor
Bioconjug.Chem., 27, 2016
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7E2O
 | | X-ray Crystal structure of PPARgamma R288H mutant. | | Descriptor: | Peroxisome proliferator-activated receptor gamma | | Authors: | Egawa, D, Itoh, T. | | Deposit date: | 2021-02-06 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Insights into the Loss-of-Function R288H Mutant of Human PPAR gamma.
Biol.Pharm.Bull., 44, 2021
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5XUQ
 | | Crystal structure of VDR-LBD complexed with an antagonist, 2-methylidene-19,26,27-trinor-22-(S)-butyl-1-hydroxy-25-oxo-25-(1H-pyrrol-2-yl)- vitamin D3 | | Descriptor: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Kato, A, Itoh, T, Yamamoto, K. | | Deposit date: | 2017-06-24 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Potent Vitamin D Receptor Antagonist
To Be Published
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5ZJG
 | | Gamma-glutamyltranspeptidase from Pseudomonas nitroreducens complexed with Gly-Gly | | Descriptor: | GLYCEROL, GLYCINE, Gamma-glutamyltransferase 1 Threonine peptidase. MEROPS family T03 L-subunit, ... | | Authors: | Hibi, T, Imaoka, M, Itoh, T, Wakayama, M. | | Deposit date: | 2018-03-20 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Crystal structure analysis and enzymatic characterization of gamma-glutamyltranspeptidase from Pseudomonas nitroreducens.
Biosci. Biotechnol. Biochem., 83, 2019
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5ZWI
 | | Interaction between Vitamin D receptor (VDR) and a ligand having a dienone group | | Descriptor: | (2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor | | Authors: | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | | Deposit date: | 2018-05-15 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
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5ZWH
 | | Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having an ene-ynone group via conjugate addition reaction | | Descriptor: | (2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one, (E,2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-6-en-4-yn-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, ... | | Authors: | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | | Deposit date: | 2018-05-15 | | Release date: | 2018-07-18 | | Last modified: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
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6A6S
 | | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans in complex with FSA, Seleno-methionine Derivative | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | | Deposit date: | 2018-06-29 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
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5ZWF
 | | Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having a enone with a beta methyl group via conjugate addition reaction | | Descriptor: | (E,7R)-7-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-2-en-4-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor | | Authors: | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | | Deposit date: | 2018-05-15 | | Release date: | 2018-07-18 | | Last modified: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
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5ZWE
 | | Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having a vinyl ketone group via conjugate addition reaction | | Descriptor: | (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hept-1-en-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor | | Authors: | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | | Deposit date: | 2018-05-15 | | Release date: | 2018-07-18 | | Last modified: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
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6A6U
 | | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with R61G mutation, in complex with FSA | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | | Deposit date: | 2018-06-29 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.945 Å) | | Cite: | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
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6A6T
 | | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with R61G mutation | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase, ... | | Authors: | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | | Deposit date: | 2018-06-29 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
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6A6V
 | | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with 7 additional mutations, in complex with FSA | | Descriptor: | 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase | | Authors: | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | | Deposit date: | 2018-06-29 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
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6A6R
 | | Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans, Seleno-methionine Derivative | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine: oxygen oxidoreductase, ... | | Authors: | Ogawa, N, Maruyama, Y, Itoh, T, Hashimoto, W, Murata, K. | | Deposit date: | 2018-06-29 | | Release date: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (2.609 Å) | | Cite: | Creation of haemoglobin A1c direct oxidase from fructosyl peptide oxidase by combined structure-based site specific mutagenesis and random mutagenesis.
Sci Rep, 9, 2019
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2E9Q
 | | Recombinant pro-11S globulin of pumpkin | | Descriptor: | 11S globulin subunit beta, CHLORIDE ION, PHOSPHATE ION | | Authors: | Fukuda, T, Prak, K, Itoh, T, Masuda, T, Maruyama, N, Mikami, B, Utsumi, S. | | Deposit date: | 2007-01-26 | | Release date: | 2008-02-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conservation and divergence on plant seed 11S globulins based on crystal structures.
Biochim.Biophys.Acta, 2010
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3AFR
 | | Crystal Structure of VDR-LBD/22S-Butyl-1a,24R-dihydroxyvitamin D3 complex | | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2S,4R)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Inaba, Y, Nakabayashi, M, Itoh, T, Ikura, T, Ito, N, Yamamoto, K. | | Deposit date: | 2010-03-10 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 22S-Butyl-1alpha,24R-dihydroxyvitamin D(3): Recovery of vitamin D receptor agonistic activity
J.Steroid Biochem.Mol.Biol., 121, 2010
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3VQU
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | | Descriptor: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-03-30 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Acs Med.Chem.Lett., 3, 2012
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3A74
 | | Lysyl-tRNA synthetase from Bacillus stearothermophilus complexed with Diadenosine Tetraphosphate (AP4A) | | Descriptor: | 2,6-DIAMINO-HEXANOIC ACID AMIDE, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Lysyl-tRNA synthetase, ... | | Authors: | Sakurama, H, Takita, T, Mikami, B, Itoh, T, Yasukawa, K, Inouye, K. | | Deposit date: | 2009-09-13 | | Release date: | 2010-09-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Lysyl-tRNA Synthetase from Bacillus stearothermophilus in Complex with Diadenosine Tetraphosphate (AP4A): Insights into AP4A Synthesis Mechanisms and Implication for Recognition of Discriminator Base of tRNA^Lys
To be Published
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3E9I
 | | Lysyl-tRNA synthetase from Bacillus stearothermophilus complexed with L-Lysine hydroxamate-AMP | | Descriptor: | 5'-O-{(R)-hydroxy[(L-lysylamino)oxy]phosphoryl}adenosine, Lysyl-tRNA synthetase, MAGNESIUM ION, ... | | Authors: | Sakurama, H, Takita, T, Mikami, B, Itoh, T, Yasukawa, K, Inouye, K. | | Deposit date: | 2008-08-22 | | Release date: | 2009-07-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Two crystal structures of lysyl-tRNA synthetase from Bacillus stearothermophilus in complex with lysyladenylate-like compounds: insights into the irreversible formation of the enzyme-bound adenylate of L-lysine hydroxamate
J.Biochem., 145, 2009
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3E9H
 | | Lysyl-tRNA synthetase from Bacillus stearothermophilus complexed with L-Lysylsulfamoyl adenosine | | Descriptor: | 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Lysyl-tRNA synthetase, MAGNESIUM ION | | Authors: | Sakurama, H, Takita, T, Mikami, B, Itoh, T, Yasukawa, K, Inouye, K. | | Deposit date: | 2008-08-22 | | Release date: | 2009-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Two crystal structures of lysyl-tRNA synthetase from Bacillus stearothermophilus in complex with lysyladenylate-like compounds: insights into the irreversible formation of the enzyme-bound adenylate of L-lysine hydroxamate
J.Biochem., 145, 2009
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3W1F
 | | Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide | | Descriptor: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-11-14 | | Release date: | 2013-06-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
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3W6X
 | | Yeast N-acetyltransferase Mpr1 in complex with CHOP | | Descriptor: | (4S)-4-hydroxy-L-proline, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H. | | Deposit date: | 2013-02-25 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Structural and functional analysis of the yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism
Proc.Natl.Acad.Sci.USA, 110, 2013
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3W6S
 | | yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism | | Descriptor: | HEXAETHYLENE GLYCOL, MAGNESIUM ION, MPR1 protein | | Authors: | Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H. | | Deposit date: | 2013-02-21 | | Release date: | 2013-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional analysis of the yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism
Proc.Natl.Acad.Sci.USA, 110, 2013
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7EFQ
 | | Crystal structure of hPPARgamma ligand binding domain complexed with rosiglitazone-based fluorescence probe | | Descriptor: | (5S)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | | Authors: | Yoshikawa, C, Ishida, H, Ohashi, N, Itoh, T. | | Deposit date: | 2021-03-23 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis of a Coumarin-Based PPAR gamma Fluorescence Probe for Competitive Binding Assay.
Int J Mol Sci, 22, 2021
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