8WF5
 
 | | Horse heart myoglobin reconstituted with an iron complex of porphyrin bearing two CF3 groups (rMb(FePor(CF3)2)) | | Descriptor: | GLYCEROL, Myoglobin, PROTOPORPHYRIN(CF3)2 CONTAINING FE, ... | | Authors: | Kagawa, Y, Oohora, K, Himiyama, T, Suzuki, A, Hayashi, T. | | Deposit date: | 2023-09-19 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Redox Engineering of Myoglobin by Cofactor Substitution to Enhance Cyclopropanation Reactivity.
Angew.Chem.Int.Ed.Engl., 2024
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1SKY
 | | CRYSTAL STRUCTURE OF THE NUCLEOTIDE FREE ALPHA3BETA3 SUB-COMPLEX OF F1-ATPASE FROM THE THERMOPHILIC BACILLUS PS3 | | Descriptor: | F1-ATPASE, SULFATE ION | | Authors: | Shirakihara, Y, Leslie, A.G.W, Abrahams, J.P, Walker, J.E, Ueda, T, Sekimoto, Y, Kambara, M, Saika, K, Kagawa, Y, Yoshida, M. | | Deposit date: | 1997-02-26 | | Release date: | 1998-03-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The crystal structure of the nucleotide-free alpha 3 beta 3 subcomplex of F1-ATPase from the thermophilic Bacillus PS3 is a symmetric trimer.
Structure, 5, 1997
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6L96
 | | Structure of PPARalpha-LBD/pemafibrate/SRC1 peptide | | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, Peroxisome proliferator-activated receptor alpha, SRC1 coactivator peptide | | Authors: | Kawasaki, M, Kambe, A, Yamamoto, Y, Arulmozhira, S, Ito, S, Nakagawa, Y, Tokiwa, H, Nakano, S, Shimano, H. | | Deposit date: | 2019-11-08 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Elucidation of Molecular Mechanism of a Selective PPAR alpha Modulator, Pemafibrate, through Combinational Approaches of X-ray Crystallography, Thermodynamic Analysis, and First-Principle Calculations.
Int J Mol Sci, 21, 2020
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8IG1
 | | Crystal structure of wild-type transthyretin in complex with rafoxanide | | Descriptor: | SODIUM ION, Transthyretin, ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-20 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Rafoxanide, a salicylanilide anthelmintic, interacts with human plasma protein transthyretin.
Febs J., 290, 2023
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7DT8
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7DT3
 | | Crystal structure of human transthyretin in complex with 4-chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid | | Descriptor: | 4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid, CALCIUM ION, Transthyretin | | Authors: | Kitakami, R, Yokoyama, T, Mizuguchi, M. | | Deposit date: | 2021-01-04 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.198 Å) | | Cite: | Inhibitory activities of anthraquinone and xanthone derivatives against transthyretin amyloidogenesis.
Bioorg.Med.Chem., 44, 2021
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7DT5
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7DT6
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6LIV
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8WGT
 | | Crystal structure of V30M-TTR in complex with compound 7 | | Descriptor: | Transthyretin, [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-09-22 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
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8WGS
 | | Crystal structure of V30M-TTR in complex with compound 4 | | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-09-22 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
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8WGU
 | | Crystal structure of V30M-TTR in complex with compound 20 | | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-09-22 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.508 Å) | | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
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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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7EJQ
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7EJR
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3UIX
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8II1
 | | Crystal structure of V30M-TTR in complex with BID | | Descriptor: | Benziodarone, Transthyretin | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.907 Å) | | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
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8II3
 | | Crystal structure of V30M-TTR in complex with 6-hydroxy BID | | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
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8II4
 | | Crystal structure of V30M-TTR in complex with 6-hydroxy BBM | | Descriptor: | Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
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8II2
 | | Crystal structure of V30M-TTR in complex with BBM | | Descriptor: | CALCIUM ION, Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
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5YWX
 | | Crystal structure of hematopoietic prostaglandin D synthase in complex with F092 | | Descriptor: | GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ... | | Authors: | Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Omura, A, Tanaka, A. | | Deposit date: | 2017-11-30 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies.
Bioorg. Med. Chem., 26, 2018
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2LDS
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6LIU
 | | Crystal structure of apo Tyrosine decarboxylase | | Descriptor: | Tyrosine/DOPA decarboxylase 2 | | Authors: | Yu, J, Wang, H, Yao, M. | | Deposit date: | 2019-12-13 | | Release date: | 2020-02-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures clarify cofactor binding of plant tyrosine decarboxylase.
Biochem.Biophys.Res.Commun., 2019
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7BJV
 | | Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI09181 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Browning, C, McEwen, A.G, Billas, I.M.L. | | Deposit date: | 2021-01-14 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Nonsteroidal ecdysone receptor agonists use a water channel for binding to the ecdysone receptor complex EcR/USP.
J Pestic Sci, 46, 2021
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