2ZTW
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![BU of 2ztw by Molmil](/molmil-images/mine/2ztw) | Structure of 3-isopropylmalate dehydrogenase in complex with the inhibitor and NAD+ | Descriptor: | (2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid, 3-isopropylmalate dehydrogenase, MAGNESIUM ION, ... | Authors: | Nango, E, Kumasaka, T, Eguchi, T. | Deposit date: | 2008-10-10 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Crystal structure of 3-isopropylmalate dehydrogenase in complex with NAD(+) and a designed inhibitor Bioorg.Med.Chem., 17, 2009
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1VBU
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![BU of 1vbu by Molmil](/molmil-images/mine/1vbu) | Crystal structure of native xylanase 10B from Thermotoga maritima | Descriptor: | ACETIC ACID, GLYCEROL, SULFATE ION, ... | Authors: | Ihsanawati, Kumasaka, T, Kaneko, T, Nakamura, S, Tanaka, N. | Deposit date: | 2004-03-02 | Release date: | 2005-06-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of the substrate subsite and the highly thermal stability of xylanase 10B from Thermotoga maritima MSB8 Proteins, 61, 2005
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2HYK
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![BU of 2hyk by Molmil](/molmil-images/mine/2hyk) | The crystal structure of an endo-beta-1,3-glucanase from alkaliphilic Nocardiopsis sp.strain F96 | Descriptor: | Beta-1,3-glucanase, CALCIUM ION, ETHANOL, ... | Authors: | Fibriansah, G, Nakamura, S, Kumasaka, T. | Deposit date: | 2006-08-07 | Release date: | 2007-10-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The 1.3 A crystal structure of a novel endo-beta-1,3-glucanase of glycoside hydrolase family 16 from alkaliphilic Nocardiopsis sp. strain F96. Proteins, 69, 2007
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3W43
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![BU of 3w43 by Molmil](/molmil-images/mine/3w43) | Crystal structure of RsbX in complex with manganese in space group P21 | Descriptor: | MANGANESE (II) ION, Phosphoserine phosphatase RsbX | Authors: | Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T. | Deposit date: | 2013-01-04 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis Acta Crystallogr.,Sect.D, 71, 2015
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3W45
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![BU of 3w45 by Molmil](/molmil-images/mine/3w45) | Crystal structure of RsbX in complex with cobalt in space group P1 | Descriptor: | COBALT (II) ION, Phosphoserine phosphatase RsbX | Authors: | Makino, M, Teh, A.H, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T. | Deposit date: | 2013-01-04 | Release date: | 2014-01-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis Acta Crystallogr.,Sect.D, 71, 2015
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7WB8
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![BU of 7wb8 by Molmil](/molmil-images/mine/7wb8) | Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Methoxytryptamine at Room Temperature | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WB9
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![BU of 7wb9 by Molmil](/molmil-images/mine/7wb9) | Crystal structure of Bovine Pancreatic Trypsin in complex with 5-Chlorotryptamine at Room Temperature | Descriptor: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WB6
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![BU of 7wb6 by Molmil](/molmil-images/mine/7wb6) | Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Bromobenzamidine at Room Temperature | Descriptor: | 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WA2
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![BU of 7wa2 by Molmil](/molmil-images/mine/7wa2) | Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Methoxybenzamidine at Room Temperature | Descriptor: | 4-methoxybenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-11 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WA0
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![BU of 7wa0 by Molmil](/molmil-images/mine/7wa0) | Crystal structure of Bovine Pancreatic Trypsin in complex with Benzamidine at Room Temperature | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-11 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WBA
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![BU of 7wba by Molmil](/molmil-images/mine/7wba) | Crystal structure of Bovine Pancreatic Trypsin in complex with Tryptamine at Room Temperature | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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7WB7
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![BU of 7wb7 by Molmil](/molmil-images/mine/7wb7) | Crystal structure of Bovine Pancreatic Trypsin in complex with Serotonin at Room Temperature | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | Deposit date: | 2021-12-15 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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3ANX
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![BU of 3anx by Molmil](/molmil-images/mine/3anx) | Crystal structure of triamine/agmatine aminopropyltransferase (SPEE) from thermus thermophilus, complexed with MTA | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, spermidine synthase | Authors: | Ganbe, T, Ohnuma, M, Sato, T, Tanaka, N, Oshima, T, Kumasaka, T. | Deposit date: | 2010-09-14 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures and enzymatic properties of a triamine/agmatine aminopropyltransferase from Thermus thermophilus J.Mol.Biol., 408, 2011
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7XMA
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![BU of 7xma by Molmil](/molmil-images/mine/7xma) | Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO | 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: | Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Takashima, S, Shintani, Y. | Deposit date: | 2022-04-25 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases. Nat Commun, 13, 2022
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7XMB
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![BU of 7xmb by Molmil](/molmil-images/mine/7xmb) | Crystal structure of Bovine heart cytochrome c oxidase, the structure complexed with an allosteric inhibitor T113 | 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: | Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Shintani, Y, Takashima, S. | Deposit date: | 2022-04-25 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases. Nat Commun, 13, 2022
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3ASJ
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![BU of 3asj by Molmil](/molmil-images/mine/3asj) | Crystal structure of homoisocitrate dehydrogenase in complex with a designed inhibitor | Descriptor: | (2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid, ... | Authors: | Nango, E, Kumasaka, T, Eguchi, T. | Deposit date: | 2010-12-13 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Thermus thermophilus homoisocitrate dehydrogenase in complex with a designed inhibitor J.Biochem., 150, 2011
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5X1B
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![BU of 5x1b by Molmil](/molmil-images/mine/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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5X19
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![BU of 5x19 by Molmil](/molmil-images/mine/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
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![BU of 5x1f by Molmil](/molmil-images/mine/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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2GRU
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![BU of 2gru by Molmil](/molmil-images/mine/2gru) | Crystal structure of 2-deoxy-scyllo-inosose synthase complexed with carbaglucose-6-phosphate, NAD+ and Co2+ | Descriptor: | (1R,2S,3S,4R)-5-METHYLENECYCLOHEXANE-1,2,3,4-TETRAOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-deoxy-scyllo-inosose synthase, ... | Authors: | Nango, E, Kumasaka, T. | Deposit date: | 2006-04-25 | Release date: | 2007-05-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of 2-deoxy-scyllo-inosose synthase, a key enzyme in the biosynthesis of 2-deoxystreptamine-containing aminoglycoside antibiotics, in complex with a mechanism-based inhibitor and NAD+ Proteins, 70, 2008
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2D2X
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![BU of 2d2x by Molmil](/molmil-images/mine/2d2x) | Crystal structure of 2-deoxy-scyllo-inosose synthase | Descriptor: | 2-deoxy-scyllo-inosose synthase, COBALT (II) ION, GLYCEROL, ... | Authors: | Nango, E, Kumasaka, T, Tanaka, N, Kakinuma, K, Eguchi, T. | Deposit date: | 2005-09-20 | Release date: | 2006-10-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of 2-deoxy-scyllo-inosose synthase, a key enzyme in the biosynthesis of 2-deoxystreptamine-containing aminoglycoside antibiotics, in complex with a mechanism-based inhibitor and NAD+ Proteins, 70, 2008
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5ZOZ
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![BU of 5zoz by Molmil](/molmil-images/mine/5zoz) | Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 8 at 288 K (1) | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ... | Authors: | Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. | Deposit date: | 2018-04-16 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5ZPC
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![BU of 5zpc by Molmil](/molmil-images/mine/5zpc) | Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 6 at 283 K (4) | Descriptor: | COPPER (II) ION, Phenylethylamine oxidase | Authors: | Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. | Deposit date: | 2018-04-16 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.741 Å) | Cite: | In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5ZPQ
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![BU of 5zpq by Molmil](/molmil-images/mine/5zpq) | Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 9 at 288 K (1) | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, PHENYLACETALDEHYDE, ... | Authors: | Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. | Deposit date: | 2018-04-16 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5ZOU
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![BU of 5zou by Molmil](/molmil-images/mine/5zou) | Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH6 at 288 K (1) | Descriptor: | COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION | Authors: | Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T. | Deposit date: | 2018-04-16 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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