3F9N
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![BU of 3f9n by Molmil](/molmil-images/mine/3f9n) | Crystal structure of chk1 kinase in complex with inhibitor 38 | Descriptor: | 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y, Munshi, S, Ikuta, M. | Deposit date: | 2008-11-14 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of thioquinazolinones, allosteric Chk1 kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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1MBF
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![BU of 1mbf by Molmil](/molmil-images/mine/1mbf) | MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 1 | Descriptor: | MYB PROTO-ONCOGENE PROTEIN | Authors: | Ogata, K, Morikawa, S, Nakamura, H, Hojo, H, Yoshimura, S, Zhang, R, Aimoto, S, Ametani, Y, Hirata, Z, Sarai, A, Ishii, S, Nishimura, Y. | Deposit date: | 1995-05-19 | Release date: | 1995-07-31 | Last modified: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | Comparison of the free and DNA-complexed forms of the DNA-binding domain from c-Myb. Nat.Struct.Biol., 2, 1995
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1UFN
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![BU of 1ufn by Molmil](/molmil-images/mine/1ufn) | Solution structure of the SAND domain of the putative nuclear protein homolog (5830484A20Rik) | Descriptor: | putative nuclear protein homolog 5830484A20Rik | Authors: | Tochio, N, Kobayashi, N, Koshiba, S, Kigawa, T, Inoue, M, Shirouzu, M, Terada, T, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Matsuo, Y, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-02 | Release date: | 2004-06-22 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the SAND domain of the putative nuclear protein homolog (5830484A20Rik) To be Published
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5B46
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![BU of 5b46 by Molmil](/molmil-images/mine/5b46) | 2-Oxoacid:Ferredoxin Oxidoreductase 2 from Sulfolobus tokodai - ligand free form | Descriptor: | 2-oxoacid--ferredoxin oxidoreductase alpha subunit, 2-oxoacid--ferredoxin oxidoreductase beta subunit, IRON/SULFUR CLUSTER, ... | Authors: | Yan, Z, Maruyama, A, Arakawa, T, Fushinobu, S, Wakagi, T. | Deposit date: | 2016-04-01 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii Sci Rep, 6, 2016
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1NBK
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![BU of 1nbk by Molmil](/molmil-images/mine/1nbk) | The structure of RNA aptamer for HIV Tat complexed with two argininamide molecules | Descriptor: | 2-AMINO-5-GUANIDINO-PENTANOIC ACID, RNA aptamer | Authors: | Matsugami, A, Kobayashi, S, Ouhashi, K, Uesugi, S, Yamamoto, R, Taira, K, Nishikawa, S, Kumar, P.K.R, Katahira, M. | Deposit date: | 2002-12-03 | Release date: | 2003-12-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural Basis of the Highly Efficient Trapping of the HIV Tat Protein by an RNA Aptamer Structure, 11, 2003
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5B48
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![BU of 5b48 by Molmil](/molmil-images/mine/5b48) | 2-Oxoacid:Ferredoxin Oxidoreductase 1 from Sulfolobus tokodai | Descriptor: | 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-oxoacid--ferredoxin oxidoreductase alpha subunit, 2-oxoacid--ferredoxin oxidoreductase beta subunit, ... | Authors: | Yan, Z, Maruyama, A, Arakawa, T, Fushinobu, S, Wakagi, T. | Deposit date: | 2016-04-01 | Release date: | 2016-09-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii Sci Rep, 6, 2016
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5BXP
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![BU of 5bxp by Molmil](/molmil-images/mine/5bxp) | LNBase in complex with LNB-LOGNAc | Descriptor: | Lacto-N-biosidase, SULFATE ION, beta-D-galactopyranose-(1-3)-N-acetylglucosaminono-1,5-lactone (Z)-oxime | Authors: | Ito, T, Arakawa, T, Fushinobu, S. | Deposit date: | 2015-06-09 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis Chem.Commun.(Camb.), 51, 2015
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2RR2
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![BU of 2rr2 by Molmil](/molmil-images/mine/2rr2) | Structure of O-fucosylated epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | Descriptor: | Neurogenic locus notch homolog protein 1, alpha-L-fucopyranose | Authors: | Hosoguchi, K, Shimizu, K, Fujitani, N, Nishimura, S. | Deposit date: | 2010-02-26 | Release date: | 2010-10-13 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor J.Am.Chem.Soc., 132, 2010
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5BXS
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![BU of 5bxs by Molmil](/molmil-images/mine/5bxs) | LNBase in complex with LNB-NHAcCAS | Descriptor: | 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, Lacto-N-biosidase, SULFATE ION, ... | Authors: | Ito, T, Arakawa, T, Fushinobu, S. | Deposit date: | 2015-06-09 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis Chem.Commun.(Camb.), 51, 2015
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8CIE
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![BU of 8cie by Molmil](/molmil-images/mine/8cie) | Crystal structure of the human CDKL5 kinase domain with compound YL-354 | Descriptor: | 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide, Cyclin-dependent kinase-like 5, SULFATE ION | Authors: | Richardson, W, Chen, X, Newman, J.A, Bakshi, S, Lakshminarayana, B, Brooke, L, Bullock, A.N. | Deposit date: | 2023-02-09 | Release date: | 2023-06-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective. Acs Chem Neurosci, 14, 2023
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5BXR
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![BU of 5bxr by Molmil](/molmil-images/mine/5bxr) | LNBase in complex with LNB-NHAcDNJ | Descriptor: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Lacto-N-biosidase, SULFATE ION, ... | Authors: | Ito, T, Arakawa, T, Fushinobu, S. | Deposit date: | 2015-06-09 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis Chem.Commun.(Camb.), 51, 2015
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1JAX
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![BU of 1jax by Molmil](/molmil-images/mine/1jax) | Structure of Coenzyme F420H2:NADP+ Oxidoreductase (FNO) | Descriptor: | MAGNESIUM ION, SODIUM ION, conserved hypothetical protein | Authors: | Warkentin, E, Mamat, B, Thauer, R, Ermler, U, Shima, S. | Deposit date: | 2001-06-01 | Release date: | 2001-12-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of F420H2:NADP+ oxidoreductase with and without its substrates bound. EMBO J., 20, 2001
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2RR0
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![BU of 2rr0 by Molmil](/molmil-images/mine/2rr0) | Structure of epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | Descriptor: | Neurogenic locus notch homolog protein 1 | Authors: | Hosoguchi, K, Shimizu, K, Fujitani, N, Nishimura, S. | Deposit date: | 2010-02-26 | Release date: | 2010-10-13 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor J.Am.Chem.Soc., 132, 2010
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2RTT
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![BU of 2rtt by Molmil](/molmil-images/mine/2rtt) | Solution structure of the chitin-binding domain of Chi18aC from Streptomyces coelicolor | Descriptor: | ChiC | Authors: | Okumura, A, Uemura, M, Yamada, N, Chikaishi, E, Takai, T, Yoshio, S, Akagi, K, Morita, J, Lee, Y, Yokogawa, D, Suzuki, K, Watanabe, T, Ikegami, T. | Deposit date: | 2013-08-26 | Release date: | 2014-08-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the Chitin-binding domain of chitinase Chi18aC from Streptomyces coelicolor To be Published
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7YVW
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![BU of 7yvw by Molmil](/molmil-images/mine/7yvw) | NMR determination of the 2:1 binding motif structure involving cytosine flipping out for the recognition of the CGG/CGG triad DNA | Descriptor: | 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate, DNA (5'-D(*CP*AP*TP*TP*CP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*AP*CP*GP*GP*AP*AP*TP*G)-3') | Authors: | Furuita, K, Yamada, T, Sakurabayashi, S, Nomura, M, Kojima, C, Nakatani, K. | Deposit date: | 2022-08-19 | Release date: | 2023-06-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR determination of the 2:1 binding complex of naphthyridine carbamate dimer (NCD) and CGG/CGG triad in double-stranded DNA. Nucleic Acids Res., 50, 2022
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2RQZ
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![BU of 2rqz by Molmil](/molmil-images/mine/2rqz) | Structure of sugar modified epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose, Neurogenic locus notch homolog protein 1 | Authors: | Shimizu, K, Fujitani, N, Hosoguchi, K, Nishimura, S. | Deposit date: | 2010-02-26 | Release date: | 2010-10-13 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor J.Am.Chem.Soc., 132, 2010
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3WGC
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![BU of 3wgc by Molmil](/molmil-images/mine/3wgc) | Aeromonas jandaei L-allo-threonine aldolase H128Y/S292R double mutant | Descriptor: | L-allo-threonine aldolase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | Authors: | Qin, H.M, Imai, F.L, Miyakawa, T, Kataoka, M, Okai, M, Ohtsuka, J, Hou, F, Nagata, K, Shimizu, S, Tanokura, M. | Deposit date: | 2013-08-03 | Release date: | 2014-07-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | L-allo-Threonine aldolase with an H128Y/S292R mutation from Aeromonas jandaei DK-39 reveals the structural basis of changes in substrate stereoselectivity. Acta Crystallogr.,Sect.D, 70, 2014
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7YQS
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![BU of 7yqs by Molmil](/molmil-images/mine/7yqs) | Neutron structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S. | Deposit date: | 2022-08-08 | Release date: | 2023-08-09 | Last modified: | 2024-03-27 | Method: | NEUTRON DIFFRACTION (1.25 Å), X-RAY DIFFRACTION | Cite: | Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography. J.Biol.Chem., 300, 2024
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6JT3
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![BU of 6jt3 by Molmil](/molmil-images/mine/6jt3) | Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tadano, G, Komano, K, Yoshida, S, Suzuki, S, Nakahara, K, Fuchino, K, Fujimoto, K, Matsuoka, E, Yamamoto, T, Asada, N, Ito, H, Sakaguchi, G, Kanegawa, N, Kido, Y, Ando, S, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Bergh, A.V.D, Austin, N, Gijsen, H.J.M, Yamano, Y, Iso, Y, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose. J.Med.Chem., 62, 2019
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4YRD
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![BU of 4yrd by Molmil](/molmil-images/mine/4yrd) | Crystal structure of CapF with inhibitor 3-isopropenyl-tropolone | Descriptor: | 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one, Capsular polysaccharide synthesis enzyme Cap5F, ZINC ION | Authors: | Nakano, K, Chigira, T, Miyafusa, T, Nagatoishi, S, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2015-03-15 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery and characterization of natural tropolones as inhibitors of the antibacterial target CapF from Staphylococcus aureus. Sci Rep, 5, 2015
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3WGB
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![BU of 3wgb by Molmil](/molmil-images/mine/3wgb) | Crystal structure of aeromonas jandaei L-allo-threonine aldolase | Descriptor: | GLYCINE, L-allo-threonine aldolase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | Authors: | Qin, H.M, Imai, F.L, Miyakawa, T, Kataoka, M, Okai, M, Ohtsuka, J, Hou, F, Nagata, K, Shimizu, S, Tanokura, M. | Deposit date: | 2013-08-03 | Release date: | 2014-07-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | L-allo-Threonine aldolase with an H128Y/S292R mutation from Aeromonas jandaei DK-39 reveals the structural basis of changes in substrate stereoselectivity. Acta Crystallogr.,Sect.D, 70, 2014
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5H3Z
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![BU of 5h3z by Molmil](/molmil-images/mine/5h3z) | Crystal Structure of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Nakajima, M, Tanaka, N, Furukawa, N, Nihira, T, Kodutsumi, Y, Takahashi, Y, Sugimoto, N, Miyanaga, A, Fushinobu, S, Taguchi, H, Nakai, H. | Deposit date: | 2016-10-28 | Release date: | 2017-03-01 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic insight into the substrate specificity of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans Sci Rep, 7, 2017
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5H42
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![BU of 5h42 by Molmil](/molmil-images/mine/5h42) | Crystal Structure of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans in complex with alpha-d-glucose-1-phosphate | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, Uncharacterized protein, alpha-D-glucopyranose | Authors: | Nakajima, M, Tanaka, N, Furukawa, N, Nihira, T, Kodutsumi, Y, Takahashi, Y, Sugimoto, N, Miyanaga, A, Fushinobu, S, Taguchi, H, Nakai, H. | Deposit date: | 2016-10-28 | Release date: | 2017-03-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanistic insight into the substrate specificity of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans Sci Rep, 7, 2017
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3WLX
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![BU of 3wlx by Molmil](/molmil-images/mine/3wlx) | Crystal structure of low-specificity L-threonine aldolase from Escherichia coli | Descriptor: | Low specificity L-threonine aldolase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | Authors: | Qin, H.-M, Imai, F.L, Miyakawa, T, Kataoka, M, Okai, M, Hou, F, Ohtsuka, J, Nagata, K, Shimizu, S, Tanokura, M. | Deposit date: | 2013-11-15 | Release date: | 2014-12-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure analysis of L-threonine aldolase from Escherichia coli unravels the low-specificity and thermostability To be Published
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5B47
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![BU of 5b47 by Molmil](/molmil-images/mine/5b47) | 2-Oxoacid:Ferredoxin Oxidoreductase 2 from Sulfolobus tokodai - pyruvate complex | Descriptor: | 2-oxoacid--ferredoxin oxidoreductase alpha subunit, 2-oxoacid--ferredoxin oxidoreductase beta subunit, IRON/SULFUR CLUSTER, ... | Authors: | Yan, Z, Maruyama, A, Arakawa, T, Fushinobu, S, Wakagi, T. | Deposit date: | 2016-04-01 | Release date: | 2016-09-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii Sci Rep, 6, 2016
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