5LVU
| XiaF (apo) from Streptomyces sp. | Descriptor: | SULFATE ION, XiaF protein | Authors: | Kugel, S, Baunach, M, Baer, P, Ishida-Ito, M, Sundaram, S, Xu, Z, Groll, M, Hertweck, C. | Deposit date: | 2016-09-14 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification. Nat Commun, 8, 2017
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5LVW
| XiaF (FADH2) from Streptomyces sp. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, INDOLE, SULFATE ION, ... | Authors: | Kugel, S, Baunach, M, Baer, P, Ishida-Ito, M, Sundaram, S, Xu, Z, Groll, M, Hertweck, C. | Deposit date: | 2016-09-14 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification. Nat Commun, 8, 2017
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5MR6
| XiaF from Streptomyces sp. in complex with FADH2 and Glycerol | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, XiaF protein | Authors: | Kugel, S, Baunach, M, Baer, P, Ishida-Ito, M, Sundaram, S, Xu, Z, Groll, M, Hertweck, C. | Deposit date: | 2016-12-21 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification. Nat Commun, 8, 2017
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7F1G
| BACE2 xaperone 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}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | Descriptor: | Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2021-06-09 | Release date: | 2022-02-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions. J.Med.Chem., 64, 2021
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7F1D
| 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}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | Descriptor: | Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2021-06-09 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions. J.Med.Chem., 64, 2021
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3GH5
| Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with GlcNAc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, beta-hexosaminidase | Authors: | Sumida, T, Ishii, R, Yanagisawa, T, Yokoyama, S, Ito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-03-03 | Release date: | 2009-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular cloning and crystal structural analysis of a novel beta-N-acetylhexosaminidase from Paenibacillus sp. TS12 capable of degrading glycosphingolipids J.Mol.Biol., 392, 2009
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3GH7
| Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with GalNAc | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, SULFATE ION, beta-hexosaminidase | Authors: | Sumida, T, Ishii, R, Yanagisawa, T, Yokoyama, S, Ito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-03-03 | Release date: | 2009-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular cloning and crystal structural analysis of a novel beta-N-acetylhexosaminidase from Paenibacillus sp. TS12 capable of degrading glycosphingolipids J.Mol.Biol., 392, 2009
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3GH4
| Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 | Descriptor: | ACETIC ACID, SULFATE ION, beta-hexosaminidase | Authors: | Sumida, T, Ishii, R, Yanagisawa, T, Yokoyama, S, Ito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-03-03 | Release date: | 2009-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular cloning and crystal structural analysis of a novel beta-N-acetylhexosaminidase from Paenibacillus sp. TS12 capable of degrading glycosphingolipids J.Mol.Biol., 392, 2009
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2ZOX
| Crystal Structure of the Covalent Intermediate of Human Cytosolic beta-Glucosidase | Descriptor: | 4-nitrophenyl alpha-D-glucopyranoside, Cytosolic beta-glucosidase, GLYCEROL, ... | Authors: | Noguchi, J, Hayashi, Y, Baba, Y, Okino, N, Kimura, M, Ito, M, Kakuta, Y. | Deposit date: | 2008-06-17 | Release date: | 2008-09-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the covalent intermediate of human cytosolic beta-glucosidase Biochem.Biophys.Res.Commun., 374, 2008
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2ZWI
| Crystal structure of alpha/beta-Galactoside alpha-2,3-Sialyltransferase from a Luminous Marine Bacterium, Photobacterium phosphoreum | Descriptor: | Alpha-/beta-galactoside alpha-2,3-sialyltransferase, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Iwatani, T, Okino, N, Sakakura, M, Kajiwara, H, Ichikawa, M, Takakura, Y, Kimura, M, Ito, M, Yamamoto, T, Kakuta, Y. | Deposit date: | 2008-12-05 | Release date: | 2009-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of alpha/beta-galactoside alpha2,3-sialyltransferase from a luminous marine bacterium, Photobacterium phosphoreum Febs Lett., 583, 2009
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2Z4T
| Crystal Structure of Vibrionaceae Photobacterium sp. JT-ISH-224 2,6-sialyltransferase in a Ternary Complex with Donor Product CMP and Accepter Substrate Lactose | Descriptor: | Beta-galactoside alpha-2,6-sialyltransferase, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ... | Authors: | Kakuta, Y, Okino, N, Kajiwara, H, Ichikawa, M, Takakura, Y, Ito, M, Yamamoto, T. | Deposit date: | 2007-06-25 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Vibrionaceae Photobacterium sp. JT-ISH-224 alpha2,6-sialyltransferase in a ternary complex with donor product CMP and acceptor substrate lactose: catalytic mechanism and substrate recognition Glycobiology, 18, 2008
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2ZSC
| Tamavidin2, Novel Avidin-like Biotin-Binding Proteins from an Edible Mushroom | Descriptor: | BIOTIN, GLYCEROL, MAGNESIUM ION, ... | Authors: | Kakuta, Y, Okino, N, Ito, M, Yamamoto, T, Takakura, Y. | Deposit date: | 2008-09-05 | Release date: | 2009-02-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Tamavidins--novel avidin-like biotin-binding proteins from the Tamogitake mushroom Febs J., 276, 2009
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2ZXC
| Ceramidase complexed with C2 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Okano, H, Inoue, T, Okino, N, Kakuta, Y, Matsumura, H, Ito, M. | Deposit date: | 2008-12-22 | Release date: | 2009-02-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanistic insights into the hydrolysis and synthesis of ceramide by neutral ceramidase. J.Biol.Chem., 284, 2009
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2ZWS
| Crystal Structure Analysis of neutral ceramidase from Pseudomonas aeruginosa | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | Authors: | Kakuta, Y, Okino, N, Inoue, T, Okano, H, Ito, M. | Deposit date: | 2008-12-17 | Release date: | 2009-03-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanistic insights into the hydrolysis and synthesis of ceramide by neutral ceramidase. J.Biol.Chem., 284, 2009
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2E9L
| Crystal Structure of human Cytosolic Neutral beta-Glycosylceramidase (Klotho-related Prote:KLrP) complex with Glucose and fatty acids | Descriptor: | Cytosolic beta-glucosidase, GLYCEROL, OLEIC ACID, ... | Authors: | Kakuta, Y, Hayashi, Y, Okino, N, Ito, M. | Deposit date: | 2007-01-25 | Release date: | 2007-09-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Klotho-related protein is a novel cytosolic neutral beta-glycosylceramidase. J.Biol.Chem., 282, 2007
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2E9M
| Crystal Structure of human Cytosolic Neutral beta-Glycosylceramidase (Klotho-related Prote:KLrP) complex with Galactose and fatty acids | Descriptor: | Cytosolic beta-glucosidase, OLEIC ACID, PALMITIC ACID, ... | Authors: | Kakuta, Y, Hayashi, Y, Okino, N, Ito, M. | Deposit date: | 2007-01-25 | Release date: | 2007-09-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Klotho-related protein is a novel cytosolic neutral beta-glycosylceramidase. J.Biol.Chem., 282, 2007
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3VKK
| Crystal Structure Of The Covalent Intermediate Of Human Cytosolic Beta-Glucosidase-mannose complex | Descriptor: | CHLORIDE ION, Cytosolic beta-glucosidase, GLYCEROL, ... | Authors: | Noguchi, J, Hayashi, Y, Okino, N, Ito, M, Kimura, M, Kakuta, Y. | Deposit date: | 2011-11-17 | Release date: | 2012-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for inhibition mechanism of human cytosolic beta-glucosidase by monnoside To be Published
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6CKX
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7PCN
| BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid, (METHYLSULFANYL)METHANE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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7PCT
| BurG E232Q mutant (holo) in complex with enol-oxalacetate (15): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (~{Z})-2-oxidanylbut-2-enedioic acid, GLYCEROL, Ketol-acid reductoisomerase, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-04 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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6XOG
| Structure of SUMO1-ML786519 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XOH
| Structure of SUMO1-ML00789344 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XOI
| Structure of SUMO1-ML00752641 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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7PCI
| BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (Z)-2,3-bis(oxidanyl)prop-2-enoic acid, IMIDAZOLE, Ketol-acid reductoisomerase, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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7PCE
| BurG (apo): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ketol-acid reductoisomerase, PHOSPHATE ION | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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