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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4TQU
 | | Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate | | Descriptor: | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, AlgM1, AlgM2, ... | | Authors: | Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2014-06-12 | | Release date: | 2015-07-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.204 Å) | | Cite: | Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate
Structure, 23, 2015
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4TQV
 | | Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate | | Descriptor: | AlgM1, AlgM2, AlgS | | Authors: | Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2014-06-12 | | Release date: | 2015-07-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (4.504 Å) | | Cite: | Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate
Structure, 23, 2015
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8HHQ
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3K3T
 | | 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
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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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5AYJ
 | | 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
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5H1E
 | | 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
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7CMQ
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7CMN
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7CUG
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5YJ2
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5YJA
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5Z2B
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5Z27
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7CUF
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5WQX
 | | Covalent bond formation of synthetic ligand with hPPARg-LBD | | Descriptor: | 2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | | Deposit date: | 2016-11-29 | | Release date: | 2017-11-22 | | Last modified: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand
Bioorg. Med. Chem., 25, 2017
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5WR0
 | | Huisgen cycloaddition for PPARg-LBD labeling by soaking method | | Descriptor: | (E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine, Peroxisome proliferator-activated receptor gamma | | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | | Deposit date: | 2016-11-29 | | Release date: | 2017-11-22 | | Last modified: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand
Bioorg. Med. Chem., 25, 2017
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5WR1
 | | Covalent bond formation of bifunctional ligand with hPPARg-LBD | | Descriptor: | 2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | | Deposit date: | 2016-11-29 | | Release date: | 2017-11-22 | | Last modified: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand
Bioorg. Med. Chem., 25, 2017
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5AWJ
 | | 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
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5AWK
 | | 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
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5AZT
 | | Ternary complex of hPPARalpha ligand binding domain, 17-oxoDHA and a SRC1 peptide | | Descriptor: | (4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid, 15-meric peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | | 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 (3.45 Å) | | Cite: | 17-OxoDHA Is a PPAR alpha/gamma Dual Covalent Modifier and Agonist
Acs Chem.Biol., 2016
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5AZV
 | | 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
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5B41
 | | Crystal structure of VDR-LBD complexed with 2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 | | Descriptor: | (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, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | | Deposit date: | 2016-03-23 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Apo- and Antagonist-Binding Structures of Vitamin D Receptor Ligand-Binding Domain Revealed by Hybrid Approach Combining Small-Angle X-ray Scattering and Molecular Dynamics
J.Med.Chem., 59, 2016
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