7CME
 
 | | Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor) | | Descriptor: | 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ... | | Authors: | Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K. | | Deposit date: | 2020-07-27 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Commun Biol, 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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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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7BXS
 | | 2-amino-3-ketobutyrate CoA ligase from Cupriavidus necator glycine binding form | | Descriptor: | 2-amino-3-ketobutyrate coenzyme A ligase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | | 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 (2.5 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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7BXQ
 | | 2-amino-3-ketobutyrate CoA ligase from Cupriavidus necator L-Threonine binding form | | Descriptor: | 2-amino-3-ketobutyrate coenzyme A ligase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-allothreonine | | 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 (2.49 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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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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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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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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7EPS
 | | Partial Consensus L-threonine 3-dehydrogenase (E-change) | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Kozuka, K, Nakano, S, Asano, Y, Ito, S. | | Deposit date: | 2021-04-27 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Partial Consensus Design and Enhancement of Protein Function by Secondary-Structure-Guided Consensus Mutations.
Biochemistry, 60, 2021
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7EPR
 | | Partial Consensus L-threonine 3-dehydrogenase (C-Change) | | Descriptor: | L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Kozuka, K, Nakano, S, Asano, Y, Ito, S. | | Deposit date: | 2021-04-27 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Partial Consensus Design and Enhancement of Protein Function by Secondary-Structure-Guided Consensus Mutations.
Biochemistry, 60, 2021
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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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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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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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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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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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2DIE
 | | Alkaline alpha-amylase AmyK from Bacillus sp. KSM-1378 | | Descriptor: | CALCIUM ION, SODIUM ION, amylase | | Authors: | Shirai, T, Igarashi, K, Ozawa, T, Hagihara, H, Kobayashi, T, Ozaki, K, Ito, S. | | Deposit date: | 2006-03-29 | | Release date: | 2007-02-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ancestral sequence evolutionary trace and crystal structure analyses of alkaline alpha-amylase from Bacillus sp. KSM-1378 to clarify the alkaline adaptation process of proteins
Proteins, 66, 2007
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2ZE0
 | | Alpha-glucosidase GSJ | | Descriptor: | Alpha-glucosidase, CALCIUM ION | | Authors: | Shirai, T, Hung, V.S, Morinaka, K, Kobayashi, T, Ito, S. | | Deposit date: | 2007-12-04 | | Release date: | 2007-12-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of GH13 alpha-glucosidase GSJ from one of the deepest sea bacteria
Proteins, 73, 2008
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3B0W
 | | Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin | | Descriptor: | DIGOXIN, Nuclear receptor ROR-gamma | | Authors: | Fujita-Sato, S, Ito, S, Isobe, T, Ohyama, T, Wakabayashi, K, Morishita, K, Ando, O, Isono, F. | | Deposit date: | 2011-06-17 | | Release date: | 2011-07-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Digoxin That Antagonizes ROR{gamma}t Receptor Activity and Suppresses Th17 Cell Differentiation and Interleukin (IL)-17 Production
J.Biol.Chem., 286, 2011
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6DJP
 | | Integrin alpha-v beta-8 in complex with the Fabs 8B8 and 68 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 68 heavy chain Fab, ... | | Authors: | Cormier, A, Campbell, M.G, Nishimura, S.L, Cheng, Y. | | Deposit date: | 2018-05-25 | | Release date: | 2018-07-25 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Cryo-EM structure of the alpha v beta 8 integrin reveals a mechanism for stabilizing integrin extension.
Nat. Struct. Mol. Biol., 25, 2018
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5XIT
 | | Crystal structure of RNF168 UDM1 in complex with Lys63-linked diubiquitin, form II | | Descriptor: | E3 ubiquitin-protein ligase RNF168, GLYCEROL, PRASEODYMIUM ION, ... | | Authors: | Takahashi, T.S, Sato, Y, Fukai, S. | | Deposit date: | 2017-04-27 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168.
Nat Commun, 9, 2018
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