7WAE
| Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS, 4x(beta-Asp-Arg), and aspartate | Descriptor: | 4x(beta-Asp-Arg), ARGININE, ASPARTIC ACID, ... | Authors: | Miyakawa, T, Yang, J, Kawasaki, M, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | Deposit date: | 2021-12-14 | Release date: | 2022-09-07 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase. Nat Commun, 13, 2022
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8HUL
| X-ray structure of human PPAR delta ligand binding domain-lanifibranor co-crystals obtained by co-crystallization | Descriptor: | 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor delta | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.461 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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8HUN
| X-ray structure of human PPAR alpha ligand binding domain-seladelpar co-crystals obtained by cross-seeding | Descriptor: | GLYCEROL, Peroxisome proliferator-activated receptor alpha, Seladelpar | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Iino, S, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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8HUP
| X-ray structure of human PPAR gamma ligand binding domain-seladelpar-SRC1 coactivator peptide co-crystals obtained by co-crystallization | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma, Seladelpar | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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8HUM
| X-ray structure of human PPAR gamma ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by co-crystallization | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Isoform 1 of Peroxisome proliferator-activated receptor gamma | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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8HUO
| X-ray structure of human PPAR delta ligand binding domain-seladelpar co-crystals obtained by co-crystallization | Descriptor: | Peroxisome proliferator-activated receptor delta, Seladelpar | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | Deposit date: | 2022-12-24 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.671 Å) | Cite: | Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor. Antioxidants, 12, 2023
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2MQF
| NMR structure of spider toxin-TRTX-Hhn2b | Descriptor: | Mu-theraphotoxin-Hhn2b | Authors: | Klint, J.K, Chin, Y.K.Y, Mobli, M. | Deposit date: | 2014-06-19 | Release date: | 2015-07-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Rational Engineering Defines a Molecular Switch That Is Essential for Activity of Spider-Venom Peptides against the Analgesics Target NaV1.7 Mol.Pharmacol., 88, 2015
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2N6N
| Structure Determination for spider toxin, U4-agatoxin-Ao1a | Descriptor: | U4-agatoxin-Ao1a | Authors: | Pineda, S.S, Chin, Y.K.-Y, Mobli, M.S, King, G.F. | Deposit date: | 2015-08-27 | Release date: | 2016-08-31 | Last modified: | 2023-03-08 | Method: | SOLUTION NMR | Cite: | Structural venomics reveals evolution of a complex venom by duplication and diversification of an ancient peptide-encoding gene. Proc.Natl.Acad.Sci.USA, 117, 2020
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2N6R
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5B1N
| DHp domain structure of EnvZ from Escherichia coli | Descriptor: | Osmolarity sensor protein EnvZ | Authors: | Okajima, T, Eguchi, Y, Tochio, N, Inukai, Y, Shimizu, R, Ueda, S, Shinya, S, Kigawa, T, Fukamizo, T, Igarashi, M, Utsumi, R. | Deposit date: | 2015-12-09 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Angucycline antibiotic waldiomycin recognizes common structural motif conserved in bacterial histidine kinases J. Antibiot., 70, 2017
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5KEF
| Structure of hypothetical Staphylococcus protein SA0856 with zinc | Descriptor: | ACETATE ION, PhnB protein, ZINC ION | Authors: | Battaile, K.P, Chirgadze, Y.N, Lam, R, Chan, T, Mihajlovic, V, Romanov, V, Pai, E, Mendez, V, Chirgadze, N.Y. | Deposit date: | 2016-06-09 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family. J. Biomol. Struct. Dyn., 36, 2018
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7VU6
| The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Yamamoto, S, Yamane, J, Tachibana, Y. | Deposit date: | 2021-11-01 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19. J.Med.Chem., 65, 2022
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7VTH
| The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1 | Descriptor: | 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide, 3C-like proteinase | Authors: | Yamamoto, S, Tachibana, Y. | Deposit date: | 2021-10-29 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19. J.Med.Chem., 65, 2022
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8CAG
| Hypoxanthine-guanine phosphoribosyltransferase from E. coli | Descriptor: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | Deposit date: | 2023-01-24 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Hypoxanthine-guanine phosphoribosyltransferase from E. coli To Be Published
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5X19
| CO bound cytochrome c oxidase at 100 micro sec after pump laser irradiation to release CO from O2 reduction center | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase. Sci Adv, 3, 2017
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5X1F
| CO bound cytochrome c oxidase without pump laser irradiation at 278K | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase. Sci Adv, 3, 2017
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6ZNX
| Ribokinase from Thermus Species | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ribokinase | Authors: | Timofeev, V.I, Abramchik, Y.A, Tuzova, E.S, Esipova, L.V, Mikheeva, O.O, Kostromina, M.A, Kuranova, I.P, Esipov, R.S. | Deposit date: | 2020-07-07 | Release date: | 2020-07-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ribokinase from Thermus Species To Be Published
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2LXZ
| Solution Structure of the Antimicrobial Peptide Human Defensin 5 | Descriptor: | Defensin-5 | Authors: | Wommack, A.J, Robson, S.A, Wanniarahchi, Y.A, Wan, A, Turner, C.J, Nolan, E.M. | Deposit date: | 2012-09-10 | Release date: | 2012-11-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | NMR solution structure and condition-dependent oligomerization of the antimicrobial Peptide human defensin 5. Biochemistry, 51, 2012
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5B1O
| DHp domain structure of EnvZ P248A mutant | Descriptor: | Osmolarity sensor protein EnvZ | Authors: | Okajima, T, Eguchi, Y, Tochio, N, Inukai, Y, Shimizu, R, Ueda, S, Shinya, S, Kigawa, T, Fukamizo, T, Igarashi, M, Utsumi, R. | Deposit date: | 2015-12-09 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Angucycline antibiotic waldiomycin recognizes common structural motif conserved in bacterial histidine kinases J. Antibiot., 70, 2017
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2KCX
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5WSD
| Crystal structure of a cupin protein (tm1459) in apo form | Descriptor: | Uncharacterized protein tm1459 | Authors: | Fujieda, N, Nakano, T, Taniguchi, Y, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S. | Deposit date: | 2016-12-06 | Release date: | 2017-05-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | A Well-Defined Osmium-Cupin Complex: Hyperstable Artificial Osmium Peroxygenase J. Am. Chem. Soc., 2017
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3VZE
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5WSE
| Crystal structure of a cupin protein (tm1459) in osmium (Os) substituted form I | Descriptor: | OSMIUM ION, Uncharacterized protein tm1459 | Authors: | Fujieda, N, Nakano, T, Taniguchi, Y, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S. | Deposit date: | 2016-12-06 | Release date: | 2017-05-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | A Well-Defined Osmium-Cupin Complex: Hyperstable Artificial Osmium Peroxygenase J. Am. Chem. Soc., 2017
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5X1B
| CO bound cytochrome c oxidase at 20 nsec after pump laser irradiation to release CO from O2 reduction center | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-08-09 | Last modified: | 2017-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase. Sci Adv, 3, 2017
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5WSF
| Crystal structure of a cupin protein (tm1459) in osmium (Os)-substituted form II | Descriptor: | OSMIUM ION, Uncharacterized protein tm1459 | Authors: | Fujieda, N, Nakano, T, Taniguchi, Y, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S. | Deposit date: | 2016-12-06 | Release date: | 2017-05-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | A Well-Defined Osmium-Cupin Complex: Hyperstable Artificial Osmium Peroxygenase J. Am. Chem. Soc., 2017
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