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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