5YBG
 
 | | Crystal structure of the GluA2o LBD in complex with glutamate and LY451395 | | Descriptor: | ACETATE ION, GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | Deposit date: | 2017-09-04 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production.
J. Pharmacol. Exp. Ther., 364, 2018
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5X4N
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 5-chloro-N4-phenylpyrimidine-2,4-diamine, B-cell lymphoma 6 protein | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X4P
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 6 | | Descriptor: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X4Q
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 7 | | Descriptor: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, ... | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X4M
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1 | | Descriptor: | B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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5X9P
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | | Descriptor: | 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid, B-cell lymphoma 6 protein | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-03-08 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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5X9O
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1a | | Descriptor: | 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ... | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-03-08 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
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5X4O
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | | Descriptor: | B-cell lymphoma 6 protein, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2017-02-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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2ZDT
 | | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | | Descriptor: | 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10 | | Authors: | Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A. | | Deposit date: | 2007-11-27 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2)
Bioorg.Med.Chem., 16, 2008
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2ZDU
 | | Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | | Descriptor: | 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10 | | Authors: | Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A. | | Deposit date: | 2007-11-27 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008
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4W94
 | | Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 | | Descriptor: | CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ... | | Authors: | Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
Inorg.Chem., 54, 2015
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4W96
 | | Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 followed by the reaction in deoxy-myoglobin solution | | Descriptor: | CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ... | | Authors: | Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-31 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
Inorg.Chem., 54, 2015
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5HQO
 | | Crystal structure of IrCp*/I-Pd(allyl)-apo-rHLFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | | Authors: | Maity, B, Fukumori, K, Abe, S, Ueno, T. | | Deposit date: | 2016-01-21 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Immobilization of two organometallic complexes into a single cage to construct protein-based microcompartments
Chem.Commun.(Camb.), 52, 2016
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3FI6
 | | apo-H49AFr with high content of Pd ions | | Descriptor: | CADMIUM ION, Ferritin light chain, PALLADIUM ION, ... | | Authors: | Abe, M, Ueno, T, Hirata, K, Suzuki, M, Abe, S, Shimizu, N, Yamaoto, M, Takata, M, Watanabe, Y. | | Deposit date: | 2008-12-11 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Process of Accumulation of Metal Ions on the Interior Surface of apo-Ferritin: Crystal Structures of a Series of apo-Ferritins Containing Variable Quantities of Pd(II) Ions
J.Am.Chem.Soc., 131, 2009
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3H7G
 | | Apo-FR with AU ions | | Descriptor: | CADMIUM ION, Ferritin light chain, GLYCEROL, ... | | Authors: | Abe, M, Ueno, T, Abe, S, Suzuki, M, Goto, T, Toda, Y, Akita, T, Yamada, Y, Watanabe, Y. | | Deposit date: | 2009-04-27 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Preparation and catalytic reaction of Au/Pd bimetallic nanoparticles in apo-ferritin
Chem.Commun.(Camb.), 32, 2009
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7DNN
 | | Crystal structure of the AgCarB2-C2 complex with homoorientin | | Descriptor: | 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one, AP_endonuc_2 domain-containing protein, AgCarC2, ... | | Authors: | Senda, M, Kumano, T, Watanabe, S, Kobayashi, M, Senda, T. | | Deposit date: | 2020-12-10 | | Release date: | 2021-10-20 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for the metabolism of xenobiotic C-glycosides by intestinal bacteria
Nat Commun, 2021
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7DNM
 | | Crystal structure of the AgCarB2-C2 complex | | Descriptor: | AP_endonuc_2 domain-containing protein, AgCarC2, IODIDE ION, ... | | Authors: | Senda, M, Kumano, T, Watanabe, S, Kobayashi, M, Senda, T. | | Deposit date: | 2020-12-10 | | Release date: | 2021-10-20 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for the metabolism of xenobiotic C-glycosides by intestinal bacteria
Nat Commun, 2021
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4J7V
 | | Crystal structure of cross-linked hen egg white lysozyme soaked with 5mM [Ru(benzene)Cl2]2 | | Descriptor: | Benzeneruthenium(II) chloride, CHLORIDE ION, Lysozyme C, ... | | Authors: | Tabe, H, Abe, S, Hikage, T, Kitagawa, S, Ueno, T. | | Deposit date: | 2013-02-14 | | Release date: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Solid Artificial Metalloenzymes: Post-Engineering of Porous Protein Crystals by Organometallic Complexes
To be Published
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8H8L
 | | Crystal structure of apo-R52F/E56F/R59F/E63F-rHLFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Hishikawa, Y, Noya, H, Maity, B, Abe, S, Ueno, T. | | Deposit date: | 2022-10-23 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Elucidating Conformational Dynamics and Thermostability of Designed Aromatic Clusters by Using Protein Cages.
Chemistry, 29, 2023
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8H8M
 | | Crystal structure of apo-E53F/E57F/E60F/E64F-rHLFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Hishikawa, Y, Noya, H, Maity, B, Abe, S, Ueno, T. | | Deposit date: | 2022-10-23 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Elucidating Conformational Dynamics and Thermostability of Designed Aromatic Clusters by Using Protein Cages.
Chemistry, 29, 2023
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8H8O
 | | Crystal structure of apo-R52W/E56W/R59W/E63W-rHLFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Hishikawa, Y, Noya, H, Maity, B, Abe, S, Ueno, T. | | Deposit date: | 2022-10-23 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Elucidating Conformational Dynamics and Thermostability of Designed Aromatic Clusters by Using Protein Cages.
Chemistry, 29, 2023
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8H8N
 | | Crystal structure of apo-R52Y/E56Y/R59Y/E63Y-rHLFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Hishikawa, Y, Noya, H, Maity, B, Abe, S, Ueno, T. | | Deposit date: | 2022-10-23 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Elucidating Conformational Dynamics and Thermostability of Designed Aromatic Clusters by Using Protein Cages.
Chemistry, 29, 2023
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8I81
 | | Crystal structure of horse spleen L-ferritin A115G mutant at -180deg Celsius. | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Maity, B, Tian, J, Abe, S, Ueno, T. | | Deposit date: | 2023-02-02 | | Release date: | 2023-03-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Atomic-level insights into a unique semi-clathrate hydrate formed in a confined environment of porous protein crystal.
Cryst.Growth Des., 2023
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8I6L
 | | Crystal structure of horse spleen L-ferritin at -180deg Celsius. | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Maity, B, Tian, J, Abe, S, Ueno, T. | | Deposit date: | 2023-01-28 | | Release date: | 2023-03-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Atomic-level insights into a unique semi-clathrate hydrate formed in a confined environment of porous protein crystal.
Cryst.Growth Des., 2023
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8I77
 | | Crystal structure of horse spleen L-ferritin A115V mutant at -180deg Celsius. | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Maity, B, Tian, J, Abe, S, Ueno, T. | | Deposit date: | 2023-01-31 | | Release date: | 2023-03-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Atomic-level insights into a unique semi-clathrate hydrate formed in a confined environment of porous protein crystal.
Cryst.Growth Des., 2023
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