8YHR
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![BU of 8yhr by Molmil](/molmil-images/mine/8yhr) | DHODH in complex with furocoumavirin | Descriptor: | 4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Hara, K, Okumura, H, Nakahara, M, Sato, M, Hashimoto, H, Osada, H, Watanabe, K. | Deposit date: | 2024-02-28 | Release date: | 2024-05-22 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Analyses of Inhibition of Human Dihydroorotate Dehydrogenase by Antiviral Furocoumavirin. Biochemistry, 63, 2024
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1K2G
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![BU of 1k2g by Molmil](/molmil-images/mine/1k2g) | Structural basis for the 3'-terminal guanosine recognition by the group I intron | Descriptor: | 5'-R(*CP*AP*GP*AP*CP*UP*UP*CP*GP*GP*UP*CP*GP*CP*AP*GP*AP*GP*AP*UP*GP*G)-3' | Authors: | Kitamura, Y, Muto, Y, Watanabe, S, Kim, I, Ito, T, Nishiya, Y, Sakamoto, K, Ohtsuki, T, Kawai, G, Watanabe, K, Hosono, K, Takaku, H, Katoh, E, Yamazaki, T, Inoue, T, Yokoyama, S. | Deposit date: | 2001-09-27 | Release date: | 2002-05-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of an RNA fragment with the P7/P9.0 region and the 3'-terminal guanosine of the tetrahymena group I intron. RNA, 8, 2002
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4ETK
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![BU of 4etk by Molmil](/molmil-images/mine/4etk) | Crystal Structure of E6A/L130D/A155H variant of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR186 | Descriptor: | De novo designed serine hydrolase, SODIUM ION | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4ETJ
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![BU of 4etj by Molmil](/molmil-images/mine/4etj) | Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, ... | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4ESS
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![BU of 4ess by Molmil](/molmil-images/mine/4ess) | Crystal Structure of E6D/L155R variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR187 | Descriptor: | OR187 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-04-23 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9971 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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3ZOC
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![BU of 3zoc by Molmil](/molmil-images/mine/3zoc) | Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound p-hydroxybenzaldehyde | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, P-HYDROXYBENZALDEHYDE | Authors: | Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K. | Deposit date: | 2013-02-21 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations. Nat.Commun., 5, 2014
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5YGY
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![BU of 5ygy by Molmil](/molmil-images/mine/5ygy) | Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fuchino, K, Mitsuoka, Y, Masui, M, Kurose, N, Yoshida, S, Komano, K, Yamamoto, T, Ogawa, M, Unemura, C, Hosono, M, Ito, H, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Miyajima, H, Hiroyama, S, Koyabu, K, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | Deposit date: | 2017-09-27 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain J. Med. Chem., 61, 2018
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4TKC
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![BU of 4tkc by Molmil](/molmil-images/mine/4tkc) | Japanese Marasmius oreades lectin complexed with mannose | Descriptor: | GLYCEROL, Mannose recognizing lectin, alpha-D-mannopyranose, ... | Authors: | Noma, Y, Shimokawa, M, Maeganeku, C, Motoshima, H, Watanabe, K, Minami, Y, Yagi, F. | Deposit date: | 2014-05-26 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Structure of Japanese Marasmius oreades lectin complexed with mannose. To Be Published
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5YGX
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![BU of 5ygx by Molmil](/molmil-images/mine/5ygx) | Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Nakahara, K, Fuchino, K, Komano, K, Asada, N, Tadano, G, Hasegawa, T, Yamamoto, T, Sako, Y, Ogawa, M, Unemura, C, Hosono, M, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | Deposit date: | 2017-09-27 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine beta-Secretase (BACE1) Inhibitors via Active Conformation Stabilization J. Med. Chem., 61, 2018
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2VQF
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![BU of 2vqf by Molmil](/molmil-images/mine/2vqf) | Modified uridines with C5-methylene substituents at the first position of the tRNA anticodon stabilize U-G wobble pairing during decoding | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Kurata, S, Weixlbaumer, A, Ohtsuki, T, Shimazaki, T, Wada, T, Kirino, Y, Takai, K, Watanabe, K, Ramakrishnan, V, Suzuki, T. | Deposit date: | 2008-03-14 | Release date: | 2008-04-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Modified Uridines with C5-Methylene Substituents at the First Position of the tRNA Anticodon Stabilize U.G Wobble Pairing During Decoding. J.Biol.Chem., 283, 2008
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2VQE
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![BU of 2vqe by Molmil](/molmil-images/mine/2vqe) | Modified uridines with C5-methylene substituents at the first position of the tRNA anticodon stabilize U-G wobble pairing during decoding | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Kurata, S, Weixlbaumer, A, Ohtsuki, T, Shimazaki, T, Wada, T, Kirino, Y, Takai, K, Watanabe, K, Ramakrishnan, V, Suzuki, T. | Deposit date: | 2008-03-13 | Release date: | 2008-04-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Modified Uridines with C5-Methylene Substituents at the First Position of the tRNA Anticodon Stabilize U.G Wobble Pairing During Decoding. J.Biol.Chem., 283, 2008
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5FHI
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![BU of 5fhi by Molmil](/molmil-images/mine/5fhi) | Crystallographic structure of PsoE without Co | Descriptor: | GLUTATHIONE, Glutathione S-transferase, putative | Authors: | Hara, K, Hashimoto, H, Yamamoto, T, Tsunematsu, Y, Watanabe, K. | Deposit date: | 2015-12-22 | Release date: | 2016-04-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Oxidative trans to cis Isomerization of Olefins in Polyketide Biosynthesis. Angew. Chem. Int. Ed. Engl., 55, 2016
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7F4B
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![BU of 7f4b by Molmil](/molmil-images/mine/7f4b) | The crystal structure of the immature apo-enzyme of homoserine dehydrogenase from the hyperthermophilic archaeon Sulfurisphaera tokodaii. | Descriptor: | MAGNESIUM ION, homoserine dehydrogenase | Authors: | Kurihara, E, Kubota, T, Watanabe, K, Ogata, K, Kaneko, R, Oshima, T, Yoshimune, K, Goto, M. | Deposit date: | 2021-06-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Conformational changes in the catalytic region are responsible for heat-induced activation of hyperthermophilic homoserine dehydrogenase. Commun Biol, 5, 2022
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7F4C
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![BU of 7f4c by Molmil](/molmil-images/mine/7f4c) | The crystal structure of the immature holo-enzyme of homoserine dehydrogenase complexed with NADP and 1,4-butandiol from the hyperthermophilic archaeon Sulfurisphaera tokodaii. | Descriptor: | 1,4-BUTANEDIOL, Homoserine dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ogata, K, Kaneko, R, Kubota, T, Watanabe, K, Kurihara, E, Oshima, T, Yoshimune, K, Goto, M. | Deposit date: | 2021-06-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational changes in the catalytic region are responsible for heat-induced activation of hyperthermophilic homoserine dehydrogenase. Commun Biol, 5, 2022
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5F8B
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![BU of 5f8b by Molmil](/molmil-images/mine/5f8b) | Crystallographic Structure of PsoE with Co | Descriptor: | (5~{S},8~{S},9~{R})-2-[(~{E})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, COBALT (II) ION, GLUTATHIONE, ... | Authors: | Hara, K, Hashimoto, H, Yamamoto, T, Tsunematsu, Y, Watanabe, K. | Deposit date: | 2015-12-09 | Release date: | 2016-04-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Oxidative trans to cis Isomerization of Olefins in Polyketide Biosynthesis. Angew. Chem. Int. Ed. Engl., 55, 2016
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4DCQ
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![BU of 4dcq by Molmil](/molmil-images/mine/4dcq) | Crystal Structure of the Fab Fragment of 3B5H10, an Antibody-Specific for Extended Polyglutamine Repeats (orthorhombic form) | Descriptor: | 1,2-ETHANEDIOL, 3B5H10 FAB Heavy Chain, 3B5H10 FAB Light Chain | Authors: | Peters-Libeu, C.A, Tran, T, Finkbeiner, S, Weisgraber, K. | Deposit date: | 2012-01-18 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure. J.Mol.Biol., 421, 2012
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1LZG
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![BU of 1lzg by Molmil](/molmil-images/mine/1lzg) | DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEN EGG WHITE LYSOZYME | Authors: | Maenaka, K, Matsushima, M, Song, H, Watanabe, K, Kumagai, I. | Deposit date: | 1995-02-10 | Release date: | 1995-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dissection of protein-carbohydrate interactions in mutant hen egg-white lysozyme complexes and their hydrolytic activity. J.Mol.Biol., 247, 1995
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1LZA
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![BU of 1lza by Molmil](/molmil-images/mine/1lza) | DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY | Descriptor: | HEN EGG WHITE LYSOZYME | Authors: | Maenaka, K, Matsushima, M, Song, H, Watanabe, K, Kumagai, I. | Deposit date: | 1995-02-10 | Release date: | 1995-05-08 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Dissection of protein-carbohydrate interactions in mutant hen egg-white lysozyme complexes and their hydrolytic activity. J.Mol.Biol., 247, 1995
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6KAW
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![BU of 6kaw by Molmil](/molmil-images/mine/6kaw) | Crystal structure of CghA | Descriptor: | CghA | Authors: | Hara, K, Hashimoto, H, Yokoyama, M, Sato, M, Watanabe, K. | Deposit date: | 2019-06-24 | Release date: | 2020-06-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Catalytic mechanism and endo-to-exo selectivity reversion of an octalin-forming natural Diels-Alderase Nat Catal, 2021
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1LZC
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![BU of 1lzc by Molmil](/molmil-images/mine/1lzc) | DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEN EGG WHITE LYSOZYME | Authors: | Maenaka, K, Matsushima, M, Song, H, Watanabe, K, Kumagai, I. | Deposit date: | 1995-02-10 | Release date: | 1995-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dissection of protein-carbohydrate interactions in mutant hen egg-white lysozyme complexes and their hydrolytic activity. J.Mol.Biol., 247, 1995
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1LZE
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![BU of 1lze by Molmil](/molmil-images/mine/1lze) | DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEN EGG WHITE LYSOZYME | Authors: | Maenaka, K, Matsushima, M, Song, H, Watanabe, K, Kumagai, I. | Deposit date: | 1995-02-10 | Release date: | 1995-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dissection of protein-carbohydrate interactions in mutant hen egg-white lysozyme complexes and their hydrolytic activity. J.Mol.Biol., 247, 1995
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4NEC
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![BU of 4nec by Molmil](/molmil-images/mine/4nec) | Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis | Descriptor: | 2-CARBOXYQUINOXALINE, ACETATE ION, Echinomycin, ... | Authors: | Hotta, K, Keegan, R.M, Ranganathan, S, Fang, M, Bibby, J, Winn, M.D, Sato, M, Lian, M, Watanabe, K, Rigden, D.J, Kim, C.-Y. | Deposit date: | 2013-10-29 | Release date: | 2014-01-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conversion of a disulfide bond into a thioacetal group during echinomycin biosynthesis. Angew.Chem.Int.Ed.Engl., 53, 2014
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1LZB
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![BU of 1lzb by Molmil](/molmil-images/mine/1lzb) | DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEN EGG WHITE LYSOZYME | Authors: | Maenaka, K, Matsushima, M, Song, H, Watanabe, K, Kumagai, I. | Deposit date: | 1995-02-10 | Release date: | 1995-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Dissection of protein-carbohydrate interactions in mutant hen egg-white lysozyme complexes and their hydrolytic activity. J.Mol.Biol., 247, 1995
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1LZD
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![BU of 1lzd by Molmil](/molmil-images/mine/1lzd) | DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY | Descriptor: | HEN EGG WHITE LYSOZYME | Authors: | Maenaka, K, Matsushima, M, Song, H, Watanabe, K, Kumagai, I. | Deposit date: | 1995-02-10 | Release date: | 1995-05-08 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dissection of protein-carbohydrate interactions in mutant hen egg-white lysozyme complexes and their hydrolytic activity. J.Mol.Biol., 247, 1995
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6KBC
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![BU of 6kbc by Molmil](/molmil-images/mine/6kbc) | Crystal structure of CghA with Sch210972 | Descriptor: | (2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid, CghA | Authors: | Hara, K, Hashimoto, H, Maeda, N, Sato, M, Watanabe, K. | Deposit date: | 2019-06-24 | Release date: | 2020-06-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Catalytic mechanism and endo-to-exo selectivity reversion of an octalin-forming natural Diels-Alderase Nat Catal, 2021
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