5XPO
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![BU of 5xpo by Molmil](/molmil-images/mine/5xpo) | Crystal structure of VDR-LBD complexed with 25-(hydroxyphenyl)-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | 分子名称: | (5~{R})-5-[(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)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | 著者 | Kato, A, Itoh, T, Yamamoto, K. | 登録日 | 2017-06-03 | 公開日 | 2018-06-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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5XPN
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![BU of 5xpn by Molmil](/molmil-images/mine/5xpn) | Crystal structure of VDR-LBD complexed with 25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3 | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{S})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, ... | 著者 | Kato, A, Itoh, T, Yamamoto, K. | 登録日 | 2017-06-03 | 公開日 | 2018-07-11 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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5XPP
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![BU of 5xpp by Molmil](/molmil-images/mine/5xpp) | Crystal structure of VDR-LBD complexed with 25RS-(Hydroxyphenyl)-2-methylidene-19,26,27-trinor-1,25-dihydroxyvitamin D3 | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | 著者 | Kato, A, Itoh, T, Yamamoto, K. | 登録日 | 2017-06-03 | 公開日 | 2018-06-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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5WR1
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![BU of 5wr1 by Molmil](/molmil-images/mine/5wr1) | |
5XPL
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![BU of 5xpl by Molmil](/molmil-images/mine/5xpl) | Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | 分子名称: | (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-(4-hydroxyphenyl)octan-1-one, Nuclear receptor coactivator 2, Vitamin D3 receptor | 著者 | Kato, A, Itoh, T, Yamamoto, K. | 登録日 | 2017-06-03 | 公開日 | 2018-06-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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5XPM
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![BU of 5xpm by Molmil](/molmil-images/mine/5xpm) | Crystal structure of VDR-LBD complexed with 22S-Butyl-25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3 | 分子名称: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | 著者 | Kato, A, Itoh, T, Yamamoto, K. | 登録日 | 2017-06-03 | 公開日 | 2018-06-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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3VQU
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![BU of 3vqu by Molmil](/molmil-images/mine/3vqu) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | 分子名称: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION | 著者 | 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. | 登録日 | 2012-03-30 | 公開日 | 2012-06-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 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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2ZUY
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![BU of 2zuy by Molmil](/molmil-images/mine/2zuy) | Crystal structure of exotype rhamnogalacturonan lyase YesX | 分子名称: | CALCIUM ION, YesX protein | 著者 | Ochiai, A, Itoh, T, Mikami, B, Hashimoto, W, Murata, K. | 登録日 | 2008-10-28 | 公開日 | 2009-02-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural determinants responsible for substrate recognition and mode of action in family 11 polysaccharide lyases J.Biol.Chem., 284, 2009
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2Z8R
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![BU of 2z8r by Molmil](/molmil-images/mine/2z8r) | Crystal structure of rhamnogalacturonan lyase YesW at 1.40 A resolution | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, YesW protein | 著者 | Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K. | 登録日 | 2007-09-10 | 公開日 | 2007-10-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER J.Biol.Chem., 282, 2007
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2Z8S
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![BU of 2z8s by Molmil](/molmil-images/mine/2z8s) | Crystal structure of rhamnogalacturonan lyase YesW complexed with digalacturonic acid | 分子名称: | CALCIUM ION, YesW protein, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid | 著者 | Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K. | 登録日 | 2007-09-10 | 公開日 | 2007-10-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER J.Biol.Chem., 282, 2007
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2ZUX
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![BU of 2zux by Molmil](/molmil-images/mine/2zux) | Crystal structure of rhamnogalacturonan lyase YesW complexed with rhamnose | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, YesW protein, ... | 著者 | Ochiai, A, Itoh, T, Mikami, B, Hashimoto, W, Murata, K. | 登録日 | 2008-10-28 | 公開日 | 2009-02-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Structural determinants responsible for substrate recognition and mode of action in family 11 polysaccharide lyases J.Biol.Chem., 284, 2009
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3AFR
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![BU of 3afr by Molmil](/molmil-images/mine/3afr) | Crystal Structure of VDR-LBD/22S-Butyl-1a,24R-dihydroxyvitamin D3 complex | 分子名称: | (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 | 著者 | Inaba, Y, Nakabayashi, M, Itoh, T, Ikura, T, Ito, N, Yamamoto, K. | 登録日 | 2010-03-10 | 公開日 | 2010-03-31 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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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7EFQ
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![BU of 7efq by Molmil](/molmil-images/mine/7efq) | Crystal structure of hPPARgamma ligand binding domain complexed with rosiglitazone-based fluorescence probe | 分子名称: | (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 | 著者 | Yoshikawa, C, Ishida, H, Ohashi, N, Itoh, T. | 登録日 | 2021-03-23 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Synthesis of a Coumarin-Based PPAR gamma Fluorescence Probe for Competitive Binding Assay. Int J Mol Sci, 22, 2021
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3W1F
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![BU of 3w1f by Molmil](/molmil-images/mine/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 | 分子名称: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | 著者 | 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. | 登録日 | 2012-11-14 | 公開日 | 2013-06-26 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | 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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2E9Q
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![BU of 2e9q by Molmil](/molmil-images/mine/2e9q) | Recombinant pro-11S globulin of pumpkin | 分子名称: | 11S globulin subunit beta, CHLORIDE ION, PHOSPHATE ION | 著者 | Fukuda, T, Prak, K, Itoh, T, Masuda, T, Maruyama, N, Mikami, B, Utsumi, S. | 登録日 | 2007-01-26 | 公開日 | 2008-02-26 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Conservation and divergence on plant seed 11S globulins based on crystal structures. Biochim.Biophys.Acta, 2010
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3A74
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![BU of 3a74 by Molmil](/molmil-images/mine/3a74) | Lysyl-tRNA synthetase from Bacillus stearothermophilus complexed with Diadenosine Tetraphosphate (AP4A) | 分子名称: | 2,6-DIAMINO-HEXANOIC ACID AMIDE, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Lysyl-tRNA synthetase, ... | 著者 | Sakurama, H, Takita, T, Mikami, B, Itoh, T, Yasukawa, K, Inouye, K. | 登録日 | 2009-09-13 | 公開日 | 2010-09-22 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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
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![BU of 3e9i by Molmil](/molmil-images/mine/3e9i) | Lysyl-tRNA synthetase from Bacillus stearothermophilus complexed with L-Lysine hydroxamate-AMP | 分子名称: | 5'-O-{(R)-hydroxy[(L-lysylamino)oxy]phosphoryl}adenosine, Lysyl-tRNA synthetase, MAGNESIUM ION, ... | 著者 | Sakurama, H, Takita, T, Mikami, B, Itoh, T, Yasukawa, K, Inouye, K. | 登録日 | 2008-08-22 | 公開日 | 2009-07-14 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 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
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![BU of 3e9h by Molmil](/molmil-images/mine/3e9h) | Lysyl-tRNA synthetase from Bacillus stearothermophilus complexed with L-Lysylsulfamoyl adenosine | 分子名称: | 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Lysyl-tRNA synthetase, MAGNESIUM ION | 著者 | Sakurama, H, Takita, T, Mikami, B, Itoh, T, Yasukawa, K, Inouye, K. | 登録日 | 2008-08-22 | 公開日 | 2009-07-14 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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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3W91
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![BU of 3w91 by Molmil](/molmil-images/mine/3w91) | crystal structure of SeMet-labeled yeast N-acetyltransferase Mpr1 L87M mutant | 分子名称: | MPR1 protein | 著者 | Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H. | 登録日 | 2013-03-23 | 公開日 | 2013-07-17 | 最終更新日 | 2013-08-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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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3W6X
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![BU of 3w6x by Molmil](/molmil-images/mine/3w6x) | Yeast N-acetyltransferase Mpr1 in complex with CHOP | 分子名称: | (4S)-4-hydroxy-L-proline, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | 著者 | Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H. | 登録日 | 2013-02-25 | 公開日 | 2013-08-07 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | 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
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![BU of 3w6s by Molmil](/molmil-images/mine/3w6s) | yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism | 分子名称: | HEXAETHYLENE GLYCOL, MAGNESIUM ION, MPR1 protein | 著者 | Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H. | 登録日 | 2013-02-21 | 公開日 | 2013-07-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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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3WLV
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![BU of 3wlv by Molmil](/molmil-images/mine/3wlv) | Thermostable urate oxidase from Bacillus sp. TB-90 | 分子名称: | 8-AZAXANTHINE, CHLORIDE ION, POTASSIUM ION, ... | 著者 | Hibi, T, Hayashi, Y, Itoh, T. | 登録日 | 2013-11-14 | 公開日 | 2014-06-18 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.747 Å) | 主引用文献 | Intersubunit salt bridges with a sulfate anion control subunit dissociation and thermal stabilization of Bacillus sp. TB-90 urate oxidase. Biochemistry, 53, 2014
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3WTQ
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![BU of 3wtq by Molmil](/molmil-images/mine/3wtq) | Crystal structure of VDR-LBD complexed with 22S-butyl-2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 | 分子名称: | (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | 著者 | Nakabayashi, M, Inaba, Y, Itoh, T, Anami, Y, Ikura, T, Ito, N, Yamamoto, K. | 登録日 | 2014-04-15 | 公開日 | 2015-04-15 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of VDR-LBD complexed with 22S-butyl-2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 To be Published
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3WAB
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![BU of 3wab by Molmil](/molmil-images/mine/3wab) | Carboxypeptidase B in complex with DD2 | 分子名称: | (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid, CACODYLATE ION, Carboxypeptidase B, ... | 著者 | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | 登録日 | 2013-05-01 | 公開日 | 2013-10-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.154 Å) | 主引用文献 | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme. J.Med.Chem., 56, 2013
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6JEZ
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![BU of 6jez by Molmil](/molmil-images/mine/6jez) | Covalent labeling of rVDR-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization | 分子名称: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, 7-(diethylamino)chromen-2-one, Mediator of RNA polymerase II transcription subunit 1, ... | 著者 | Kojima, H, Yamamoto, K, Itoh, T. | 登録日 | 2019-02-07 | 公開日 | 2020-02-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins. Cell Chem Biol, 27, 2020
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