4UOJ
 
 | | Structure of Fungal beta-mannosidase (GH2) from Trichoderma harzianum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(3-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Muniz, J.R.C, Aparicio, R, Santos, J.C, Nascimento, A.S, Golubev, A.M, Polikarpov, I. | | Deposit date: | 2014-06-04 | | Release date: | 2014-07-09 | | Last modified: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights Into the Structure and Function of Fungal Beta-Mannosidases from Glycoside Hydrolase Family 2 Based on Multiple Crystal Structures of the Trichoderma Harzianum Enzyme.
FEBS J., 281, 2014
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4USC
 | | Crystal structure of peroxidase from palm tree Chamaerops excelsa | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Bernardes, A, Santos, J.C, Textor, L.C, Cuadrado, N.H, Kostetsky, E.Y, Roig, M.G, Muniz, J.R.C, Shnyrov, V.L, Polikarpov, I. | | Deposit date: | 2014-07-07 | | Release date: | 2015-05-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa.
Biochimie, 111, 2015
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7D5U
 | | BACE2 xaperone complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | | Descriptor: | Beta-secretase 2, N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, xaperone | | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2020-09-28 | | Release date: | 2021-03-31 | | Last modified: | 2021-04-07 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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7D5A
 | | Crystal Structure of BACE1 in complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2020-09-25 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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7D2V
 | | Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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7D5B
 | | BACE2 xaperone complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 2, CHLORIDE ION, ... | | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2020-09-25 | | Release date: | 2021-03-31 | | Last modified: | 2021-04-07 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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7D2X
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop-1-yn-1-yl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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6DZD
 | | Crystal structure of Bacillus licheniformis hypothetical protein YfiH | | Descriptor: | CHLORIDE ION, POTASSIUM ION, SODIUM ION, ... | | Authors: | Almeida, L.R, Grejo, M.P, Mulinari, E.J, Santos, J.C, Camargo, S, Bernardes, A, Muniz, J.R.C. | | Deposit date: | 2018-07-03 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Crystal structure of Bacillus licheniformis hypothetical protein YfiH
To Be Published
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4Q23
 | | The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Kwaasi, A.A, Pilka, E.S, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, von Delft, F, Oppermann, U, Russell, R.G.G, Dunford, J.E. | | Deposit date: | 2014-04-05 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
To be Published
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7YYO
 | | Cryo-EM structure of an a-carboxysome RuBisCO enzyme at 2.9 A resolution | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ... | | Authors: | Mann, D, Evans, S.L, Bergeron, J.R.C. | | Deposit date: | 2022-02-18 | | Release date: | 2023-01-25 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Single-particle cryo-EM analysis of the shell architecture and internal organization of an intact alpha-carboxysome.
Structure, 31, 2023
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7ZCJ
 | | Crystal structure of Pizza6-TNH-TSH with Silicotungstic Acid (STA) polyoxometalate | | Descriptor: | Keggin (STA), Pizza6-TNH-TSH | | Authors: | Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D. | | Deposit date: | 2022-03-28 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
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7VUS
 | | Crystal structure of AlleyCat9 with 5-nitro-benzotriazole | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1H-benzotriazole, AlleyCat, ... | | Authors: | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | | Deposit date: | 2021-11-04 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NMR-guided directed evolution.
Nature, 610, 2022
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7VUR
 | | Crystal structure of AlleyCat9 with calcium but no inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, AlleyCat, CALCIUM ION | | Authors: | Margheritis, E, Takahashi, K, Korendovych, I.V, Tame, J.R.H. | | Deposit date: | 2021-11-04 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NMR-guided directed evolution.
Nature, 610, 2022
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7VUC
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7VUU
 | | Crystal structure of AlleyCat10 with inhibitor | | Descriptor: | 5-nitro-1H-benzotriazole, AlleyCat, CALCIUM ION | | Authors: | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | | Deposit date: | 2021-11-04 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | NMR-guided directed evolution.
Nature, 610, 2022
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7VUT
 | | Crystal structure of AlleyCat10 | | Descriptor: | AlleyCat10, CALCIUM ION | | Authors: | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | | Deposit date: | 2021-11-04 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NMR-guided directed evolution.
Nature, 610, 2022
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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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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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7FCI
 | | human NTCP in complex with YN69083 Fab | | Descriptor: | Fab Heavy chain, Fab Light chain, Sodium/bile acid cotransporter | | Authors: | Park, J.H, Iwamoto, M, Yun, J.H, Uchikubo-Kamo, T, Son, D, Jin, Z, Yoshida, H, Ohki, M, Ishimoto, N, Mizutani, K, Oshima, M, Muramatsu, M, Wakita, T, Shirouzu, M, Liu, K, Uemura, T, Nomura, N, Iwata, S, Watashi, K, Tame, J.R.H, Nishizawa, T, Lee, W, Park, S.Y. | | Deposit date: | 2021-07-14 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into the HBV receptor and bile acid transporter NTCP.
Nature, 606, 2022
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5I1Y
 | | NvPizza2-H16S58 with cobalt | | Descriptor: | COBALT (II) ION, SULFATE ION, nvPizz2a-H16S58 | | Authors: | Tame, J.R.H, Voet, A.R.D. | | Deposit date: | 2016-02-07 | | Release date: | 2017-02-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | NvPizza2-H16S58 with cobalt
To Be Published
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7NPD
 | | Vibiro cholerae ParA2 | | Descriptor: | Walker A-type ATPase | | Authors: | Parker, A.V, Bergeron, J.R.C. | | Deposit date: | 2021-02-26 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of the bacterial DNA segregation ATPase filament reveals the conformational plasticity of ParA upon DNA binding.
Nat Commun, 12, 2021
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7NPE
 | | Vibrio cholerae ParA2-ADP | | Descriptor: | AAA family ATPase, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Parker, A.V, Bergeron, J.R.C. | | Deposit date: | 2021-02-26 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The cryo-EM structure of the bacterial type I segregation filament reveals ParA s conformational plasticity upon DNA binding
To Be Published
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1GTT
 | | CRYSTAL STRUCTURE OF HPCE | | Descriptor: | 4-HYDROXYPHENYLACETATE DEGRADATION BIFUNCTIONAL ISOMERASE/DECARBOXYLASE, CALCIUM ION | | Authors: | Tame, J.R.H, Namba, K, Dodson, E.J, Roper, D.I. | | Deposit date: | 2002-01-18 | | Release date: | 2002-03-08 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of Hpce, a Bifunctional Decarboxylase/Isomerase with a Multifunctional Fold.
Biochemistry, 41, 2002
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8Y5V
 | | GII.4 Sydney PD and 2'-FL | | Descriptor: | 1,2-ETHANEDIOL, GII.4 Sydney PD in complex with 2'-FL (powder), alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Hansman, G, Tame, J.R.H, Kher, G, Pancera, M. | | Deposit date: | 2024-02-01 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | GII.4 Sydney PD and 2'-FL
To Be Published
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8Y6C
 | | Norovirus GII.10 P domain and 2'-FL (powder) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GII.10 norovirus P domain in complex with 2'FL (powder), ... | | Authors: | Hansman, G, Tame, J.R.H, Kher, G, Pancera, M. | | Deposit date: | 2024-02-02 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Norovirus GII.10 P domain and 2'-FL (powder)
To Be Published
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