7CUG
 
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7CMN
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2MLQ
 | | Human CCR2 Membrane-Proximal C-Terminal Region (PRO-C) in a frount bound form | | Descriptor: | MCP-1 receptor | | Authors: | Esaki, K, Yoshinaga, S, Tsuji, T, Toda, E, Terashima, Y, Saitoh, T, Kohda, D, Kohno, T, Osawa, M, Ueda, T, Shimada, I, Matsushima, K, Terasawa, H. | | Deposit date: | 2014-03-04 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the binding of the membrane-proximal C-terminal region of chemokine receptor CCR2 with the cytosolic regulator FROUNT.
Febs J., 281, 2014
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7CUC
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8ZYP
 | | Cryo-EM Structure of E-4031-bound hERG Channel | | Descriptor: | Potassium voltage-gated channel subfamily H member 2, ~{N}-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide | | Authors: | Miyashita, Y, Moriya, T, Kato, T, Kawasaki, M, Yasuda, Y, Adachi, N, Suzuki, K, Ogasawara, S, Saito, T, Senda, T, Murata, T. | | Deposit date: | 2024-06-18 | | Release date: | 2024-09-18 | | Last modified: | 2024-11-27 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Improved higher resolution cryo-EM structures reveal the binding modes of hERG channel inhibitors.
Structure, 32, 2024
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8ZYN
 | | Cryo-EM Structure of inhibitor-free hERG Channel | | Descriptor: | Potassium voltage-gated channel subfamily H member 2 | | Authors: | Miyashita, Y, Moriya, T, Kato, T, Kawasaki, M, Yasuda, Y, Adachi, N, Suzuki, K, Ogasawara, S, Saito, T, Senda, T, Murata, T. | | Deposit date: | 2024-06-18 | | Release date: | 2024-09-18 | | Last modified: | 2024-11-27 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Improved higher resolution cryo-EM structures reveal the binding modes of hERG channel inhibitors.
Structure, 32, 2024
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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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2D81
 | | PHB depolymerase (S39A) complexed with R3HB trimer | | Descriptor: | (1R)-3-{[(1R)-3-METHOXY-1-METHYL-3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-3-HYDROXYBUTANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, PHB depolymerase | | Authors: | Hisano, T, Kasuya, K, Saito, T, Iwata, T, Miki, K. | | Deposit date: | 2005-11-30 | | Release date: | 2006-01-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | The Crystal Structure of Polyhydroxybutyrate Depolymerase from Penicillium funiculosum Provides Insights into the Recognition and Degradation of Biopolyesters
J.Mol.Biol., 356, 2006
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2D80
 | | Crystal structure of PHB depolymerase from Penicillium funiculosum | | Descriptor: | PHB depolymerase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Hisano, T, Kasuya, K, Saito, T, Iwata, T, Miki, K. | | Deposit date: | 2005-11-30 | | Release date: | 2006-01-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of Polyhydroxybutyrate Depolymerase from Penicillium funiculosum Provides Insights into the Recognition and Degradation of Biopolyesters
J.Mol.Biol., 356, 2006
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8ZYO
 | | Cryo-EM Structure of astemizole-bound hERG Channel | | Descriptor: | 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Potassium voltage-gated channel subfamily H member 2 | | Authors: | Miyashita, Y, Moriya, T, Kato, T, Kawasaki, M, Yasuda, Y, Adachi, N, Suzuki, K, Ogasawara, S, Saito, T, Senda, T, Murata, T. | | Deposit date: | 2024-06-18 | | Release date: | 2024-09-18 | | Last modified: | 2024-11-27 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Improved higher resolution cryo-EM structures reveal the binding modes of hERG channel inhibitors.
Structure, 32, 2024
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8ZYQ
 | | Cryo-EM Structure of pimozide-bound hERG Channel | | Descriptor: | 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, Potassium voltage-gated channel subfamily H member 2 | | Authors: | Miyashita, Y, Moriya, T, Kato, T, Kawasaki, M, Yasuda, Y, Adachi, N, Suzuki, K, Ogasawara, S, Saito, T, Senda, T, Murata, T. | | Deposit date: | 2024-06-18 | | Release date: | 2024-09-18 | | Last modified: | 2024-11-27 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Improved higher resolution cryo-EM structures reveal the binding modes of hERG channel inhibitors.
Structure, 32, 2024
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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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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: | 2024-11-06 | | 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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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: | 2024-10-23 | | 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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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: | 2024-11-20 | | 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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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: | 2024-10-30 | | 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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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: | 2024-10-16 | | 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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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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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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5HZV
 | | Crystal structure of the zona pellucida module of human endoglin/CD105 | | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein,Endoglin, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Bokhove, M, Saito, T, Jovine, L. | | Deposit date: | 2016-02-03 | | Release date: | 2017-06-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
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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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8HHQ
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8HHP
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2MWI
 | | The structure of the carboxy-terminal domain of DNTTIP1 | | Descriptor: | Deoxynucleotidyltransferase terminal-interacting protein 1 | | Authors: | Schwabe, J.W.R, Muskett, F.W, Itoh, T. | | Deposit date: | 2014-11-11 | | Release date: | 2015-02-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural and functional characterization of a cell cycle associated HDAC1/2 complex reveals the structural basis for complex assembly and nucleosome targeting.
Nucleic Acids Res., 43, 2015
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6JEY
 | | Covalent bond formation between ynone moiety of synthetic fatty acid and hPPARg-LBD | | Descriptor: | (9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Kojima, H, Yamamoto, K, Itoh, T. | | Deposit date: | 2019-02-07 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Cell Chem Biol, 27, 2020
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