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3KSC
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BU of 3ksc by Molmil
Crystal structure of pea prolegumin, an 11S seed globulin from Pisum sativum L.
Descriptor: GLYCEROL, LegA class, SULFATE ION
Authors:Tandang-Silvas, M.R.G, Fukuda, T, Fukuda, C, Prak, K, Cabanos, C, Kimura, A, Itoh, T, Mikami, B, Maruyama, N, Utsumi, S.
Deposit date:2009-11-21
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Conservation and divergence on plant seed 11S globulins based on crystal structures.
Biochim.Biophys.Acta, 1804, 2010
8HHQ
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BU of 8hhq by Molmil
Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
Descriptor: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
8HHP
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BU of 8hhp by Molmil
Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-11-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
5ZWE
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BU of 5zwe by Molmil
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
6A6U
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BU of 6a6u by Molmil
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
6A6T
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BU of 6a6t by Molmil
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
6A6V
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BU of 6a6v by Molmil
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
6A6R
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BU of 6a6r by Molmil
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
5AYJ
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BU of 5ayj by Molmil
Hyperthermostable mutant of Bacillus sp. TB-90 Urate Oxidase - R298C
Descriptor: 9-METHYL URIC ACID, HEXAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Hibi, T, Kume, A, Kawamura, A, Itoh, T, Nishiya, Y.
Deposit date:2015-08-21
Release date:2016-01-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Hyperstabilization of Tetrameric Bacillus sp. TB-90 Urate Oxidase by Introducing Disulfide Bonds through Structural Plasticity
Biochemistry, 55, 2016
3E9I
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BU of 3e9i by Molmil
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
3E9H
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BU of 3e9h by Molmil
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
3K3T
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BU of 3k3t by Molmil
E185A mutant of peptidoglycan hydrolase from Sphingomonas sp. A1
Descriptor: Peptidoglycan hydrolase FlgJ, SULFATE ION
Authors:Maruyama, Y, Ochiai, A, Itoh, T, Mikami, B, Hashimoto, W, Murata, K.
Deposit date:2009-10-04
Release date:2010-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mutational studies of the peptidoglycan hydrolase FlgJ of Sphingomonas sp. strain A1
J.Basic Microbiol., 50, 2010
5H1E
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BU of 5h1e by Molmil
Interaction between vitamin D receptor and coactivator peptide SRC2-3
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor
Authors:Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K.
Deposit date:2016-10-08
Release date:2017-01-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity
Bioorg. Med. Chem., 25, 2017
7CMQ
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BU of 7cmq by Molmil
Crystal Structure of Bacillus sp. TB-90 Urate Oxidase Improved by Humidity Control at 88% RH.
Descriptor: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Hibi, T, Itoh, T, Nishiya, Y.
Deposit date:2020-07-28
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Flexibility of a Distal Interface Loop Modulates Water Network in the Active Site of Bacillus sp. TB-90 Urate Oxidase
To be published
7CUF
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BU of 7cuf by Molmil
Crystal Structure of Urate Oxidase from Bacillus sp. TB-90 in the absence from Chloride Anion at 1.44 A resolution
Descriptor: 2-METHOXYETHANOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Hibi, T, Itoh, T.
Deposit date:2020-08-22
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Identification of quasi-stable water molecules near the Thr73-Lys13 catalytic diad of Bacillus sp. TB-90 urate oxidase by X-ray crystallography with controlled humidity.
J.Biochem., 169, 2021
7CUG
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BU of 7cug by Molmil
Crystal Structure of Urate Oxidase from Bacillus sp. TB-90 in the absence from Chloride Anion at 1.62 A resolution
Descriptor: 2-METHOXYETHANOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Hibi, T, Itoh, T.
Deposit date:2020-08-23
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of quasi-stable water molecules near the Thr73-Lys13 catalytic diad of Bacillus sp. TB-90 urate oxidase by X-ray crystallography with controlled humidity.
J.Biochem., 169, 2021
7CMN
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BU of 7cmn by Molmil
Crystal Structure of Bacillus sp. TB-90 Urate Oxidase Improved by Humidity Control at 88% RH.
Descriptor: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Hibi, T, Itoh, T, Nishiya, Y.
Deposit date:2020-07-28
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Flexibility of a Distal Interface Loop Modulates Water Network in the Active Site of Bacillus sp. TB-90 Urate Oxidase
To be published
5YJ2
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BU of 5yj2 by Molmil
Crystal structure of Bacillus sp. TB-90 urate oxidase without dehydration
Descriptor: 2-METHOXYETHANOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Hibi, T, Itoh, T, Nishiya, Y.
Deposit date:2017-10-07
Release date:2018-10-10
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal structure of Bacillus sp. TB-90 urate oxidase without dehydration
To Be Published
5AWJ
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BU of 5awj by Molmil
Crystal structure of VDR-LBD/partial agonist complex: 22S-hexyl analogue
Descriptor: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-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,Vitamin D3 receptor
Authors:Anami, Y, Itoh, T, Inaba, Y, Nakabayashi, M, Ikura, T, Ito, N, Yamamoto, K.
Deposit date:2015-07-04
Release date:2015-11-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity.
Bioorg.Med.Chem., 23, 2015
5YJA
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BU of 5yja by Molmil
Crystal structure of highly active BTUO mutant P287G without dehydration
Descriptor: 2-METHOXYETHANOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Hibi, T, Itoh, T, Nishiya, Y.
Deposit date:2017-10-09
Release date:2018-10-10
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Flexibility of a Distal Interface Loop Modulates Water Network in the Active Site of Bacillus sp. TB-90 Urate Oxidase
to be published
5Z2B
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BU of 5z2b by Molmil
Crystal structure of highly active BTUO mutant P287G Improved by Humidity Control at 86% RH
Descriptor: 1,2-ETHANEDIOL, 8-AZAXANTHINE, CHLORIDE ION, ...
Authors:Hibi, T, Itoh, T, Nishiya, Y.
Deposit date:2018-01-02
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Flexibility of a Distal Interface Loop Modulates Water Network in the Active Site of Bacillus sp. TB-90 Urate Oxidase
to be published
5Z27
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BU of 5z27 by Molmil
Crystal structure of highly active BTUO mutant P287G without dehydration
Descriptor: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Hibi, T, Itoh, T, Nishiya, Y.
Deposit date:2017-12-29
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Flexibility of a Distal Interface Loop Modulates Water Network in the Active Site of Bacillus sp. TB-90 Urate Oxidase
to be published
6IQ5
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BU of 6iq5 by Molmil
Crystal Structure of CYP1B1 and Inhibitor Having Azide Group
Descriptor: 2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one, Cytochrome P450 1B1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kubo, M, Yamamoto, K, Itoh, T.
Deposit date:2018-11-06
Release date:2019-01-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Design and synthesis of selective CYP1B1 inhibitor via dearomatization of alpha-naphthoflavone.
Bioorg. Med. Chem., 27, 2019
5AWK
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BU of 5awk by Molmil
Crystal structure of VDR-LBD/partial agonist complex: 22S-ethyl analogue
Descriptor: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-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,Vitamin D3 receptor
Authors:Anami, Y, Itoh, T, Yamamoto, K.
Deposit date:2015-07-04
Release date:2015-11-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity.
Bioorg.Med.Chem., 23, 2015
5AZV
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BU of 5azv by Molmil
Crystal structure of hPPARgamma ligand binding domain complexed with 17-oxoDHA
Descriptor: (4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Egawa, D, Itoh, T, Yamamoto, K.
Deposit date:2015-10-23
Release date:2016-07-06
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:17-OxoDHA Is a PPAR alpha/gamma Dual Covalent Modifier and Agonist
Acs Chem.Biol., 2016

220472

數據於2024-05-29公開中

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