7F1L
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![BU of 7f1l by Molmil](/molmil-images/mine/7f1l) | Designed enzyme RA61 M48K/I72D mutant: form V | Descriptor: | CHLORIDE ION, Engineered Retroaldolase, IMIDAZOLE | Authors: | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | Deposit date: | 2021-06-09 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions. Chembiochem, 23, 2022
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7CEF
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![BU of 7cef by Molmil](/molmil-images/mine/7cef) | Crystal structure of PET-degrading cutinase Cut190 /S226P/R228S/ mutant with the C-terminal three residues deletion | Descriptor: | Alpha/beta hydrolase family protein, CALCIUM ION, ZINC ION | Authors: | Senga, A, Numoto, N, Ito, N, Kawai, F, Oda, M. | Deposit date: | 2020-06-23 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Multiple structural states of Ca2+-regulated PET hydrolase, Cut190, and its correlation with activity and stability. J.Biochem., 169, 2021
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7CEH
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![BU of 7ceh by Molmil](/molmil-images/mine/7ceh) | Crystal structure of PET-degrading cutinase Cut190 S176A/S226P/R228S/ mutant with the C-terminal three residues deletion in ligand ejecting form | Descriptor: | Alpha/beta hydrolase family protein, CALCIUM ION | Authors: | Senga, A, Numoto, N, Ito, N, Kawai, F, Oda, M. | Deposit date: | 2020-06-23 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Multiple structural states of Ca2+-regulated PET hydrolase, Cut190, and its correlation with activity and stability. J.Biochem., 169, 2021
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8IBL
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![BU of 8ibl by Molmil](/molmil-images/mine/8ibl) | MES bound form of PET-degrading cutinase Cut190 with thermostability-improving mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A inactivation | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha/beta hydrolase family protein, CALCIUM ION, ... | Authors: | Emori, M, Numoto, N, Kamiya, N, Oda, M. | Deposit date: | 2023-02-10 | Release date: | 2023-03-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Improvement of thermostability and activity of PET-degrading enzyme Cut190 towards a detailed understanding and application of the enzymatic reaction mechanism. Biorxiv, 2023
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8IBM
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![BU of 8ibm by Molmil](/molmil-images/mine/8ibm) | Sulfate bound form of PET-degrading cutinase Cut190 with thermostability-improving mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A inactivation | Descriptor: | Alpha/beta hydrolase family protein, CALCIUM ION, SULFATE ION | Authors: | Emori, M, Numoto, N, Kamiya, N, Oda, M. | Deposit date: | 2023-02-10 | Release date: | 2023-03-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Improvement of thermostability and activity of PET-degrading enzyme Cut190 towards a detailed understanding and application of the enzymatic reaction mechanism. Biorxiv, 2023
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5GJI
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![BU of 5gji by Molmil](/molmil-images/mine/5gji) | PI3K p85 N-terminal SH2 domain/CD28-derived peptide complex | Descriptor: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION, ... | Authors: | Inaba, S, Numoto, N, Morii, H, Ogawa, S, Ikura, T, Abe, R, Ito, N, Oda, M. | Deposit date: | 2016-06-30 | Release date: | 2016-12-14 | Last modified: | 2017-05-10 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Crystal Structures and Thermodynamic Analysis Reveal Distinct Mechanisms of CD28 Phosphopeptide Binding to the Src Homology 2 (SH2) Domains of Three Adaptor Proteins J. Biol. Chem., 292, 2017
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5GJH
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![BU of 5gjh by Molmil](/molmil-images/mine/5gjh) | Gads SH2 domain/CD28-derived peptide complex | Descriptor: | GRB2-related adapter protein 2, T-cell-specific surface glycoprotein CD28 | Authors: | Inaba, S, Numoto, N, Morii, H, Ogawa, S, Ikura, T, Abe, R, Ito, N, Oda, M. | Deposit date: | 2016-06-30 | Release date: | 2016-12-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal Structures and Thermodynamic Analysis Reveal Distinct Mechanisms of CD28 Phosphopeptide Binding to the Src Homology 2 (SH2) Domains of Three Adaptor Proteins J. Biol. Chem., 292, 2017
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3BUZ
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![BU of 3buz by Molmil](/molmil-images/mine/3buz) | Crystal structure of ia-bTAD-actin complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Tsuge, H, Nagahama, M, Oda, M, Iwamoto, S, Utsunomiya, H, Marquez, V.E, Katunuma, N, Nishizawa, M, Sakurai, J. | Deposit date: | 2008-01-04 | Release date: | 2008-05-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural basis of actin recognition and arginine ADP-ribosylation by Clostridium perfringens iota-toxin Proc.Natl.Acad.Sci.Usa, 105, 2008
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5ZRS
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![BU of 5zrs by Molmil](/molmil-images/mine/5zrs) | Crystal structure of PET-degrading cutinase Cut190 S176A/S226P/R228S mutant in monoethyl adipate bound state | Descriptor: | 6-ethoxy-6-oxohexanoic acid, Alpha/beta hydrolase family protein, CALCIUM ION, ... | Authors: | Numoto, N, Kamiya, N, Bekker, G.J, Yamagami, Y, Inaba, S, Ishii, K, Uchiyama, S, Kawai, F, Ito, N, Oda, M. | Deposit date: | 2018-04-25 | Release date: | 2018-09-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Dynamics of the PET-Degrading Cutinase-like Enzyme from Saccharomonospora viridis AHK190 in Substrate-Bound States Elucidates the Ca2+-Driven Catalytic Cycle. Biochemistry, 57, 2018
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5ZRR
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![BU of 5zrr by Molmil](/molmil-images/mine/5zrr) | Crystal structure of PET-degrading cutinase Cut190 S176A/S226P/R228S mutant in monoethyl succinate bound state | Descriptor: | 4-ethoxy-4-oxobutanoic acid, Alpha/beta hydrolase family protein, GLYCEROL, ... | Authors: | Numoto, N, Kamiya, N, Bekker, G.J, Yamagami, Y, Inaba, S, Ishii, K, Uchiyama, S, Kawai, F, Ito, N, Oda, M. | Deposit date: | 2018-04-25 | Release date: | 2018-09-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structural Dynamics of the PET-Degrading Cutinase-like Enzyme from Saccharomonospora viridis AHK190 in Substrate-Bound States Elucidates the Ca2+-Driven Catalytic Cycle. Biochemistry, 57, 2018
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5ZRQ
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![BU of 5zrq by Molmil](/molmil-images/mine/5zrq) | Crystal structure of PET-degrading cutinase Cut190 S176A/S226P/R228S mutant in Zn(2+)-bound state | Descriptor: | Alpha/beta hydrolase family protein, CALCIUM ION, GLYCEROL, ... | Authors: | Numoto, N, Kamiya, N, Bekker, G.J, Yamagami, Y, Inaba, S, Ishii, K, Uchiyama, S, Kawai, F, Ito, N, Oda, M. | Deposit date: | 2018-04-25 | Release date: | 2018-09-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structural Dynamics of the PET-Degrading Cutinase-like Enzyme from Saccharomonospora viridis AHK190 in Substrate-Bound States Elucidates the Ca2+-Driven Catalytic Cycle. Biochemistry, 57, 2018
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5ZNO
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![BU of 5zno by Molmil](/molmil-images/mine/5zno) | Crystal structure of PET-degrading cutinase Cut190 S176A/S226P/R228S/ mutant in Ca(2+)-bound state | Descriptor: | Alpha/beta hydrolase family protein, CALCIUM ION, GLYCEROL | Authors: | Numoto, N, Inaba, S, Yamagami, Y, Kamiya, N, Bekker, G.J, Ishii, K, Uchiyama, S, Kawai, F, Ito, N, Oda, M. | Deposit date: | 2018-04-10 | Release date: | 2018-09-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.60264349 Å) | Cite: | Structural Dynamics of the PET-Degrading Cutinase-like Enzyme from Saccharomonospora viridis AHK190 in Substrate-Bound States Elucidates the Ca2+-Driven Catalytic Cycle. Biochemistry, 57, 2018
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5AUL
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![BU of 5aul by Molmil](/molmil-images/mine/5aul) | PI3K p85 C-terminal SH2 domain/CD28-derived peptide complex | Descriptor: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, T-cell-specific surface glycoprotein CD28 | Authors: | Inaba, S, Numoto, N, Morii, H, Ikura, T, Oda, M, Ito, N. | Deposit date: | 2015-04-28 | Release date: | 2016-05-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structures and Thermodynamic Analysis Reveal Distinct Mechanisms of CD28 Phosphopeptide Binding to the Src Homology 2 (SH2) Domains of Three Adaptor Proteins J. Biol. Chem., 292, 2017
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1IDZ
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![BU of 1idz by Molmil](/molmil-images/mine/1idz) | |
1IDY
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![BU of 1idy by Molmil](/molmil-images/mine/1idy) | |
6K4Z
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![BU of 6k4z by Molmil](/molmil-images/mine/6k4z) | Single-chain Fv antibody of C6 COMPLEXED WITH 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | Descriptor: | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID, GLYCEROL, SULFATE ION, ... | Authors: | Nishiguchi, A, Numoto, N, Ito, N, Azuma, T, Oda, M. | Deposit date: | 2019-05-27 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Three-dimensional structure of a high affinity anti-(4-hydroxy-3-nitrophenyl)acetyl antibody possessing a glycine residue at position 95 of the heavy chain. Mol.Immunol., 114, 2019
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3ATG
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![BU of 3atg by Molmil](/molmil-images/mine/3atg) | endo-1,3-beta-glucanase from Cellulosimicrobium cellulans | Descriptor: | CALCIUM ION, GLUCANASE, GLYCEROL, ... | Authors: | Tanabe, Y, Pang, Z, Oda, M, Mikami, B. | Deposit date: | 2011-01-04 | Release date: | 2012-01-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural and thermodynamic characterization of endo-1,3-beta-glucanase: Insights into the substrate recognition mechanism. Biochim. Biophys. Acta, 1866, 2018
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3WA4
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![BU of 3wa4 by Molmil](/molmil-images/mine/3wa4) | Grb2 SH2 domain/CD28-derived peptide complex | Descriptor: | ACETIC ACID, CADMIUM ION, Growth factor receptor-bound protein 2, ... | Authors: | Higo, K, Oda, M, Ito, N. | Deposit date: | 2013-04-23 | Release date: | 2014-02-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | High Resolution Crystal Structure of the Grb2 SH2 Domain with a Phosphopeptide Derived from CD28 Plos One, 8, 2013
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2DDS
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![BU of 2dds by Molmil](/molmil-images/mine/2dds) | Crystal structure of sphingomyelinase from Bacillus cereus with cobalt ion | Descriptor: | COBALT (II) ION, Sphingomyelin phosphodiesterase | Authors: | Ago, H, Oda, M, Takahashi, M, Tsuge, H, Ochi, S, Katunuma, N, Miyano, M, Sakurai, J, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-02-02 | Release date: | 2006-05-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of the Sphingomyelin Phosphodiesterase Activity in Neutral Sphingomyelinase from Bacillus cereus. J.Biol.Chem., 281, 2006
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2DDR
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![BU of 2ddr by Molmil](/molmil-images/mine/2ddr) | Crystal structure of sphingomyelinase from Bacillus cereus with calcium ion | Descriptor: | CALCIUM ION, Sphingomyelin phosphodiesterase | Authors: | Ago, H, Oda, M, Takahashi, M, Tsuge, H, Ochi, S, Katunuma, N, Miyano, M, Sakurai, J, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-02-02 | Release date: | 2006-05-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Basis of the Sphingomyelin Phosphodiesterase Activity in Neutral Sphingomyelinase from Bacillus cereus. J.Biol.Chem., 281, 2006
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2DDT
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![BU of 2ddt by Molmil](/molmil-images/mine/2ddt) | Crystal structure of sphingomyelinase from Bacillus cereus with magnesium ion | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, SULFATE ION, ... | Authors: | Ago, H, Oda, M, Tsuge, H, Katunuma, N, Miyano, M, Sakurai, J, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-02-02 | Release date: | 2006-05-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of the sphingomyelin phosphodiesterase activity in neutral sphingomyelinase from Bacillus cereus. J.Biol.Chem., 281, 2006
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5JQP
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![BU of 5jqp by Molmil](/molmil-images/mine/5jqp) | Crystal structure of ER glucosidase II heterodimeric complex consisting of catalytic subunit and the binding domain of regulatory subunit | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha glucosidase-like protein, CALCIUM ION, ... | Authors: | Satoh, T, Toshimori, T, Noda, M, Uchiyama, S, Kato, K. | Deposit date: | 2016-05-05 | Release date: | 2016-09-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Interaction mode between catalytic and regulatory subunits in glucosidase II involved in ER glycoprotein quality control. Protein Sci., 25, 2016
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4IJ0
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![BU of 4ij0 by Molmil](/molmil-images/mine/4ij0) | Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing transition mutation | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*CP*GP*CP*G)-3'), STRONTIUM ION | Authors: | Zhang, F, Suzuki, K, Tsunoda, M, Wilkinson, O, Millington, C.L, Williams, D.M, Morishita, E.C, Takenaka, A. | Deposit date: | 2012-12-20 | Release date: | 2013-05-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing pyrimidine transition mutations Nucleic Acids Res., 41, 2013
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3X26
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![BU of 3x26 by Molmil](/molmil-images/mine/3x26) | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 5 min | Descriptor: | 2,2-dimethylpropanenitrile, CHLORIDE ION, FE (III) ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2014-12-10 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl., 54, 2015
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3X25
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![BU of 3x25 by Molmil](/molmil-images/mine/3x25) | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 700 min | Descriptor: | 2,2-dimethylpropanenitrile, CHLORIDE ION, FE (III) ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2014-12-10 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl., 54, 2015
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