7BXP
| 2-amino-3-ketobutyrate CoA ligase from Cupriavidus necator | Descriptor: | 2-amino-3-ketobutyrate coenzyme A ligase | Authors: | Motoyama, T, Nakano, S, Hasebe, F, Miyoshi, N, Ito, S. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Chemoenzymatic synthesis of 3-ethyl-2,5-dimethylpyrazine by L-threonine 3-dehydrogenase and 2-amino-3-ketobutyrate CoA ligase/L-threonine aldolase Commun Chem, 4, 2021
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7BXR
| 2-amino-3-ketobutyrate CoA ligase from Cupriavidus necator 3-Hydroxynorvaline binding form | Descriptor: | (2S,3R)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid, 2-amino-3-ketobutyrate coenzyme A ligase | Authors: | Motoyama, T, Nakano, S, Hasebe, F, Miyoshi, N, Ito, S. | Deposit date: | 2020-04-20 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Chemoenzymatic synthesis of 3-ethyl-2,5-dimethylpyrazine by L-threonine 3-dehydrogenase and 2-amino-3-ketobutyrate CoA ligase/L-threonine aldolase Commun Chem, 4, 2021
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7CFO
| Crystal structure of human RXRalpha ligand binding domain complexed with CBTF-EE. | Descriptor: | 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid, GLYCEROL, Retinoic acid receptor RXR-alpha | Authors: | Watanabe, M, Fujihara, M, Motoyama, T, Kawasaki, M, Yamada, S, Takamura, Y, Ito, S, Makishima, M, Nakano, S, Kakuta, H. | Deposit date: | 2020-06-27 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a "Gatekeeper" Antagonist that Blocks Entry Pathway to Retinoid X Receptors (RXRs) without Allosteric Ligand Inhibition in Permissive RXR Heterodimers. J.Med.Chem., 64, 2021
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7EIH
| Ancestral L-Lys oxidase (ligand free form) | Descriptor: | FAD dependent enzyme, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Sugiura, S, Nakano, S, Niwa, M, Hasebe, F, Ito, S. | Deposit date: | 2021-03-31 | Release date: | 2021-08-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic mechanism of ancestral L-lysine oxidase assigned by sequence data mining. J.Biol.Chem., 297, 2021
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7EII
| Ancestral L-Lys oxidase K387A variant (L-Lys binding form) | Descriptor: | FAD dependent L-Lys oxidase, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE | Authors: | Sugiura, S, Nakano, S, Niwa, M, Hasebe, F, Ito, S. | Deposit date: | 2021-03-31 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Catalytic mechanism of ancestral L-lysine oxidase assigned by sequence data mining. J.Biol.Chem., 297, 2021
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3AIE
| Crystal Structure of glucansucrase from Streptococcus mutans | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glucosyltransferase-SI | Authors: | Ito, K, Ito, S, Shimamura, T, Iwata, S. | Deposit date: | 2010-05-12 | Release date: | 2011-03-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans. J.Mol.Biol., 408, 2011
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7EIJ
| Ancestral L-Lys oxidase K387A variant (L-Arg binding form) | Descriptor: | ARGININE, FAD dependent L-Lys oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Sugiura, S, Nakano, S, Niwa, M, Hasebe, F, Ito, S. | Deposit date: | 2021-03-31 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic mechanism of ancestral L-lysine oxidase assigned by sequence data mining. J.Biol.Chem., 297, 2021
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3AIC
| Crystal Structure of Glucansucrase from Streptococcus mutans | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, ... | Authors: | Ito, K, Ito, S, Shimamura, T, Iwata, S. | Deposit date: | 2010-05-12 | Release date: | 2011-03-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans. J.Mol.Biol., 408, 2011
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3AIB
| Crystal Structure of Glucansucrase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glucosyltransferase-SI, ... | Authors: | Ito, K, Ito, S, Shimamura, T, Iwata, S. | Deposit date: | 2010-05-12 | Release date: | 2011-03-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Crystal structure of glucansucrase from the dental caries pathogen Streptococcus mutans. J.Mol.Biol., 408, 2011
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7C4N
| Ancestral L-amino acid oxidase (AncLAAO-N5) L-Phe binding form | Descriptor: | Ancestral L-amino acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, PHENYLALANINE | Authors: | Nakano, S, Minamino, Y, Karasuda, H, Ito, S. | Deposit date: | 2020-05-18 | Release date: | 2020-12-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids Commun Chem, 3, 2020
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7C4L
| Anncestral L-amino acid oxidase (AncLAAO-N5) L-Gln binding form | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTAMINE, L-amino acid oxidase | Authors: | Nakano, S, Minamino, Y, Karasuda, H, Ito, S. | Deposit date: | 2020-05-18 | Release date: | 2020-12-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids Commun Chem, 3, 2020
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7C4M
| Ancestral L-amino acid oxidase (AncLAAO-N5) L-Trp binding form | Descriptor: | Ancestral L-amino acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, TRYPTOPHAN | Authors: | Nakano, S, Minamino, Y, Karasuda, H, Ito, S. | Deposit date: | 2020-05-18 | Release date: | 2020-12-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids Commun Chem, 3, 2020
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7C4K
| Ancestral L-amino acid oxidase (AncLAAO-N5) ligand free form | Descriptor: | Ancestral L-amino acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Nakano, S, Minamino, Y, Karasuda, H, Ito, S. | Deposit date: | 2020-05-18 | Release date: | 2020-12-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids Commun Chem, 3, 2020
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7CGV
| Full consensus L-threonine 3-dehydrogenase, FcTDH-IIYM (NAD+ bound form) | Descriptor: | Artificial L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Motoyama, T, Hiramatsu, N, Asano, Y, Nakano, S, Ito, S. | Deposit date: | 2020-07-02 | Release date: | 2020-10-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Protein Sequence Selection Method That Enables Full Consensus Design of Artificial l-Threonine 3-Dehydrogenases with Unique Enzymatic Properties. Biochemistry, 59, 2020
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7CUO
| IclR transcription factor complexed with 4-hydroxybenzoic acid from Microbacterium hydrocarbonoxydans | Descriptor: | P-HYDROXYBENZOIC ACID, SULFATE ION, Transcription factor | Authors: | Akiyama, T, Ito, S, Sasaki, Y, Yajima, S. | Deposit date: | 2020-08-23 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of the conformational changes in Microbacterium hydrocarbonoxydans IclR transcription factor homolog due to ligand binding. Biochim Biophys Acta Proteins Proteom, 1869, 2021
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7D5M
| Crystal structure of inositol dehydrogenase homolog complexed with NAD+ from Azotobacter vinelandii | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase | Authors: | Fukano, K, Ono, T, Suzuki, M, Takenoya, M, Ito, S, Sasaki, Y, Yajima, S. | Deposit date: | 2020-09-27 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of inositol dehydrogenase complexed with NAD+ from Azotobacter vinelandii To Be Published
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7D5N
| Crystal structure of inositol dehydrogenase homolog complexed with NADH and myo-inositol from Azotobacter vinelandii | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Oxidoreductase | Authors: | Fukano, K, Ono, T, Suzuki, M, Takenoya, M, Ito, S, Sasaki, Y, Yajima, S. | Deposit date: | 2020-09-27 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of inositol dehydrogenase complexed with NADH and myo-inositol from Azotobacter vinelandii To Be Published
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7DQB
| Crystal structure of an IclR homolog complexed with 4-hydroxybenzoate from Microbacterium hydrocarbonoxydans in P212121 form | Descriptor: | IclR homolog, P-HYDROXYBENZOIC ACID | Authors: | Akiyama, T, Sasaki, Y, Ito, S, Yajima, S. | Deposit date: | 2020-12-23 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structural basis of the conformational changes in Microbacterium hydrocarbonoxydans IclR transcription factor homolog due to ligand binding. Biochim Biophys Acta Proteins Proteom, 1869, 2021
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1MXB
| S-ADENOSYLMETHIONINE SYNTHETASE WITH ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Takusagawa, F, Kamitori, S, Markham, G.D. | Deposit date: | 1996-01-10 | Release date: | 1996-07-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and function of S-adenosylmethionine synthetase: crystal structures of S-adenosylmethionine synthetase with ADP, BrADP, and PPi at 28 angstroms resolution. Biochemistry, 35, 1996
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1MXA
| S-ADENOSYLMETHIONINE SYNTHETASE WITH PPI | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Takusagawa, F, Kamitori, S, Markham, G.D. | Deposit date: | 1996-01-10 | Release date: | 1996-07-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and function of S-adenosylmethionine synthetase: crystal structures of S-adenosylmethionine synthetase with ADP, BrADP, and PPi at 28 angstroms resolution. Biochemistry, 35, 1996
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3VRH
| Crystal structure of ph0300 | Descriptor: | BICINE, Putative uncharacterized protein PH0300, ZINC ION | Authors: | Nakagawa, H, Kuratani, M, Goto-Ito, S, Ito, T, Sekine, S.I, Yokoyama, S. | Deposit date: | 2012-04-10 | Release date: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic and mutational studies on the tRNA thiouridine synthetase TtuA. Proteins, 2013
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4GF7
| Crystal structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (MHPCO), unliganded form | Descriptor: | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kobayashi, J, Yoshida, H, Mikami, B, Hayashi, H, Kamitori, S, Sawa, Y, Yagi, T. | Deposit date: | 2012-08-03 | Release date: | 2013-08-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.581 Å) | Cite: | Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase To be Published
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6JNO
| RXRa structure complexed with CU-6PMN | Descriptor: | 7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid, Retinoic acid receptor RXR-alpha | Authors: | Kawasaki, M, Nakano, S, Motoyama, T, Yamada, S, Watanabe, M, Takamura, Y, Fujihara, M, Tokiwa, H, Kakuta, H, Ito, S. | Deposit date: | 2019-03-17 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Competitive Binding Assay with an Umbelliferone-Based Fluorescent Rexinoid for Retinoid X Receptor Ligand Screening. J.Med.Chem., 62, 2019
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6JNR
| RXRa structure complexed with CU-6PMN and SRC1 peptide. | Descriptor: | 7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Retinoic acid receptor RXR-alpha | Authors: | Kawasaki, M, Nakano, S, Motoyama, T, Yamada, S, Watanabe, M, Takamura, Y, Fujihara, M, Tokiwa, H, Kakuta, H, Ito, S. | Deposit date: | 2019-03-18 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RXRa structure complexed with CU-6PMN and SRC1 peptide. To Be Published
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6L96
| Structure of PPARalpha-LBD/pemafibrate/SRC1 peptide | Descriptor: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, Peroxisome proliferator-activated receptor alpha, SRC1 coactivator peptide | Authors: | Kawasaki, M, Kambe, A, Yamamoto, Y, Arulmozhira, S, Ito, S, Nakagawa, Y, Tokiwa, H, Nakano, S, Shimano, H. | Deposit date: | 2019-11-08 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Elucidation of Molecular Mechanism of a Selective PPAR alpha Modulator, Pemafibrate, through Combinational Approaches of X-ray Crystallography, Thermodynamic Analysis, and First-Principle Calculations. Int J Mol Sci, 21, 2020
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