7WOX
| PPARgamma antagonist (MMT-160)- PPARgamma LBD complex | Descriptor: | N-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide, Peroxisome proliferator-activated receptor gamma | Authors: | Yoshizawa, M, Aoyama, T, Itoh, T, Miyachi, H. | Deposit date: | 2022-01-22 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Arylalkynyl amide-type peroxisome proliferator-activated receptor gamma (PPAR gamma )-selective antagonists covalently bind to the PPAR gamma ligand binding domain with a unique binding mode. Bioorg.Med.Chem.Lett., 64, 2022
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7W9Q
| Crystal structure of V30M-TTR in complex with naringenin derivative-14 | Descriptor: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, CALCIUM ION, Transthyretin | Authors: | Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M. | Deposit date: | 2021-12-10 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis. J.Med.Chem., 65, 2022
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7W9R
| Crystal structure of V30M-TTR in complex with naringenin derivative-18 | Descriptor: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Transthyretin | Authors: | Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M. | Deposit date: | 2021-12-10 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis. J.Med.Chem., 65, 2022
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7CFO
| Crystal structure of human RXRalpha ligand binding domain complexed with CBTF-EE. | Descriptor: | 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid, GLYCEROL, Retinoic acid receptor RXR-alpha | Authors: | Watanabe, M, Fujihara, M, Motoyama, T, Kawasaki, M, Yamada, S, Takamura, Y, Ito, S, Makishima, M, Nakano, S, Kakuta, H. | Deposit date: | 2020-06-27 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a "Gatekeeper" Antagonist that Blocks Entry Pathway to Retinoid X Receptors (RXRs) without Allosteric Ligand Inhibition in Permissive RXR Heterodimers. J.Med.Chem., 64, 2021
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6JNO
| RXRa structure complexed with CU-6PMN | Descriptor: | 7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid, Retinoic acid receptor RXR-alpha | Authors: | Kawasaki, M, Nakano, S, Motoyama, T, Yamada, S, Watanabe, M, Takamura, Y, Fujihara, M, Tokiwa, H, Kakuta, H, Ito, S. | Deposit date: | 2019-03-17 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Competitive Binding Assay with an Umbelliferone-Based Fluorescent Rexinoid for Retinoid X Receptor Ligand Screening. J.Med.Chem., 62, 2019
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6JNR
| RXRa structure complexed with CU-6PMN and SRC1 peptide. | Descriptor: | 7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Retinoic acid receptor RXR-alpha | Authors: | Kawasaki, M, Nakano, S, Motoyama, T, Yamada, S, Watanabe, M, Takamura, Y, Fujihara, M, Tokiwa, H, Kakuta, H, Ito, S. | Deposit date: | 2019-03-18 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RXRa structure complexed with CU-6PMN and SRC1 peptide. To Be Published
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5Z76
| Artificial L-threonine 3-dehydrogenase designed by full consensus design | Descriptor: | Artificial L-threonine 3-dehydrogenase | Authors: | Nakano, S, Motoyama, T, Miyashita, Y, Ishizuka, Y, Matsuo, N, Tokiwa, H, Shinoda, S, Asano, Y, Ito, S. | Deposit date: | 2018-01-27 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Benchmark Analysis of Native and Artificial NAD+-Dependent Enzymes Generated by a Sequence-Based Design Method with or without Phylogenetic Data. Biochemistry, 57, 2018
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5Z75
| Artificial L-threonine 3-dehydrogenase designed by ancestral sequence reconstruction. | Descriptor: | Artificial L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NONAETHYLENE GLYCOL, ... | Authors: | Nakano, S, Motoyama, T, Miyashita, Y, Ishizuka, Y, Matsuo, N, Tokiwa, H, Shinoda, S, Asano, Y, Ito, S. | Deposit date: | 2018-01-27 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Benchmark Analysis of Native and Artificial NAD+-Dependent Enzymes Generated by a Sequence-Based Design Method with or without Phylogenetic Data. Biochemistry, 57, 2018
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3WQH
| Crystal Structure of human DPP-IV in complex with Anagliptin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide | Authors: | Watanabe, Y.S, Okada, S, Motoyama, T, Takahashi, R, Adachi, H, Oka, M. | Deposit date: | 2014-01-27 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Anagliptin, a potent dipeptidyl peptidase IV inhibitor: its single-crystal structure and enzyme interactions. J Enzyme Inhib Med Chem, 30, 2015
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2Q9Y
| Trichodiene synthase: Complex with Mg, inorganic pyrophosphate, and benzyl triethyl ammonium cation | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | Authors: | Vedula, L.S, Zhao, Y, Coates, R.M, Koyama, T, Cane, D.E, Christianson, D.W. | Deposit date: | 2007-06-14 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Exploring biosynthetic diversity with trichodiene synthase. Arch.Biochem.Biophys., 466, 2007
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2STD
| SCYTALONE DEHYDRATASE COMPLEXED WITH TIGHT-BINDING INHIBITOR CARPROPAMID | Descriptor: | ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE, SCYTALONE DEHYDRATASE, SULFATE ION | Authors: | Nakasako, M, Motoyama, T, Kurahashi, Y, Yamaguchi, I. | Deposit date: | 1997-12-21 | Release date: | 1999-02-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cryogenic X-ray crystal structure analysis for the complex of scytalone dehydratase of a rice blast fungus and its tight-binding inhibitor, carpropamid: the structural basis of tight-binding inhibition. Biochemistry, 37, 1998
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2Q9Z
| Trichodiene synthase: Complex with inorganic pyrophosphate resulting from the reaction with 2-fluorofarnesyl diphosphate | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Vedula, L.S, Zhao, Y, Coates, R.M, Koyama, T, Cane, D.E, Christianson, D.W. | Deposit date: | 2007-06-14 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Exploring biosynthetic diversity with trichodiene synthase. Arch.Biochem.Biophys., 466, 2007
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2DGE
| Crystal structure of oxidized cytochrome C6A from Arabidopsis thaliana | Descriptor: | Cytochrome c6, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION | Authors: | Chida, H, Yokoyama, T, Kawai, F, Nakazawa, A, Akazaki, H, Takayama, Y, Hirano, T, Suruga, K, Satoh, T, Yamada, S, Kawachi, R, Unzai, S, Nishio, T, Park, S.-Y, Oku, T. | Deposit date: | 2006-03-11 | Release date: | 2006-07-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of oxidized cytochrome c(6A) from Arabidopsis thaliana Febs Lett., 580, 2006
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3AQB
| M. luteus B-P 26 heterodimeric hexaprenyl diphosphate synthase in complex with magnesium | Descriptor: | CHLORIDE ION, Component A of hexaprenyl diphosphate synthase, Component B of hexaprenyl diphosphate synthase, ... | Authors: | Sasaki, D, Fujihashi, M, Okuyama, N, Kobayashi, Y, Noike, M, Koyama, T, Miki, K. | Deposit date: | 2010-10-28 | Release date: | 2010-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of heterodimeric hexaprenyl diphosphate synthase from Micrococcus luteus B-P 26 reveals that the small subunit is directly involved in the product chain length regulation. J.Biol.Chem., 286, 2011
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3AQC
| M. luteus B-P 26 heterodimeric hexaprenyl diphosphate synthase in complex with magnesium and FPP analogue | Descriptor: | (2E,6E)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, CHLORIDE ION, Component A of hexaprenyl diphosphate synthase, ... | Authors: | Sasaki, D, Fujihashi, M, Okuyama, N, Kobayashi, Y, Noike, M, Koyama, T, Miki, K. | Deposit date: | 2010-10-28 | Release date: | 2010-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of heterodimeric hexaprenyl diphosphate synthase from Micrococcus luteus B-P 26 reveals that the small subunit is directly involved in the product chain length regulation. J.Biol.Chem., 286, 2011
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2DN1
| 1.25A resolution crystal structure of human hemoglobin in the oxy form | Descriptor: | Hemoglobin alpha subunit, Hemoglobin beta subunit, OXYGEN MOLECULE, ... | Authors: | Park, S.-Y, Yokoyama, T, Shibayama, N, Shiro, Y, Tame, J.R. | Deposit date: | 2006-04-25 | Release date: | 2006-05-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 1.25 a resolution crystal structures of human haemoglobin in the oxy, deoxy and carbonmonoxy forms. J.Mol.Biol., 360, 2006
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2EXS
| TRAP3 (engineered TRAP) | Descriptor: | TRYPTOPHAN, Transcription attenuation protein mtrB | Authors: | Heddle, J.G, Yokoyama, T, Yamashita, I, Park, S.Y, Tame, J.R.H. | Deposit date: | 2005-11-08 | Release date: | 2006-08-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rounding up: Engineering 12-Membered Rings from the Cyclic 11-Mer TRAP Structure, 14, 2006
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2DN2
| 1.25A resolution crystal structure of human hemoglobin in the deoxy form | Descriptor: | Hemoglobin alpha subunit, Hemoglobin beta subunit, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Park, S.-Y, Yokoyama, T, Shibayama, N, Shiro, Y, Tame, J.R. | Deposit date: | 2006-04-25 | Release date: | 2006-05-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 1.25 a resolution crystal structures of human haemoglobin in the oxy, deoxy and carbonmonoxy forms. J.Mol.Biol., 360, 2006
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2EXT
| TRAP4 (engineered TRAP) | Descriptor: | TRYPTOPHAN, Transcription attenuation protein mtrB | Authors: | Heddle, J.G, Yokoyama, T, Yamashita, I, Park, S.Y, Tame, J.R.H. | Deposit date: | 2005-11-08 | Release date: | 2006-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rounding up: Engineering 12-Membered Rings from the Cyclic 11-Mer TRAP Structure, 14, 2006
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2DN3
| 1.25A resolution crystal structure of human hemoglobin in the carbonmonoxy form | Descriptor: | CARBON MONOXIDE, Hemoglobin alpha subunit, Hemoglobin beta subunit, ... | Authors: | Park, S.-Y, Yokoyama, T, Shibayama, N, Shiro, Y, Tame, J.R. | Deposit date: | 2006-04-25 | Release date: | 2006-05-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 1.25 a resolution crystal structures of human haemoglobin in the oxy, deoxy and carbonmonoxy forms. J.Mol.Biol., 360, 2006
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3VJH
| Human PPAR GAMMA ligand binding domain in complex with JKPL35 | Descriptor: | (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | Deposit date: | 2011-10-20 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype. J.Med.Chem., 55, 2012
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3VJI
| Human PPAR gamma ligand binding domain in complex with JKPL53 | Descriptor: | (2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T. | Deposit date: | 2011-10-20 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype. J.Med.Chem., 55, 2012
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8HEW
| Potato 14-3-3 St14f | Descriptor: | 14-3-3 protein, StFDL1 peptide | Authors: | Taoka, K, Kawahara, I, Shinya, S, Harada, K, Muranaka, T, Furuita, K, Nakagawa, A, Fujiwara, T, Tsuji, H, Kojima, C. | Deposit date: | 2022-11-08 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Multifunctional chemical inhibitors of the florigen activation complex discovered by structure-based high-throughput screening. Plant J., 112, 2022
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3B21
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2D3T
| Fatty Acid beta-oxidation multienzyme complex from Pseudomonas Fragi, Form V | Descriptor: | 3-ketoacyl-CoA thiolase, ACETYL COENZYME *A, Fatty oxidation complex alpha subunit, ... | Authors: | Tsuchiya, D, Shimizu, N, Ishikawa, M, Suzuki, Y, Morikawa, K. | Deposit date: | 2005-10-01 | Release date: | 2006-02-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Ligand-Induced Domain Rearrangement of Fatty Acid beta-Oxidation Multienzyme Complex Structure, 14, 2006
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