6G6M
 
 | | Crystal structure of the computationally designed Tako8 protein in P42212 | | Descriptor: | SULFATE ION, Tako8 | | Authors: | Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D. | | Deposit date: | 2018-04-01 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
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6G6Q
 | | Crystal structure of the computationally designed Ika4 protein | | Descriptor: | Ika4 | | Authors: | Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D. | | Deposit date: | 2018-04-01 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
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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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6G6O
 | | Crystal structure of the computationally designed Ika8 protein: crystal packing No.1 in P63 | | Descriptor: | GLYCEROL, Ika8 | | Authors: | Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D. | | Deposit date: | 2018-04-01 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
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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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5KK8
 | | Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase | | Authors: | Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2016-06-21 | | Release date: | 2017-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
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5Z01
 | | Native Escherichia coli L,D-carboxypeptidase A (LdcA) | | Descriptor: | MAGNESIUM ION, Murein tetrapeptide carboxypeptidase | | Authors: | Meyer, K, Tame, J.R.H. | | Deposit date: | 2017-12-18 | | Release date: | 2018-04-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure and oligomeric form of Escherichia colil,d-carboxypeptidase A.
Biochem. Biophys. Res. Commun., 499, 2018
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6AB9
 | | The crystal structure of the relaxed state of Nonlabens marinus Rhodopsin 3 | | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | | Authors: | Yun, J.-H, Ohki, M, Park, J.-H, Jin, Z, Lee, W, Liu, H, Tame, J.R.H, Shibayama, N, Park, S.-Y. | | Deposit date: | 2018-07-20 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The pumping mechanism of NM-R3, a light-driven cyanobacterial chloride importer in the rhodopsin family
To Be Published
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6ABA
 | | The crystal structure of the photoactivated state of Nonlabens marinus Rhodopsin 3 | | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | | Authors: | Yun, J.-H, Ohki, M, Park, J.-H, Jin, Z, Lee, W, Liu, H, Tame, J.R.H, Shibayama, N, Park, S.-Y. | | Deposit date: | 2018-07-20 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | The pumping mechanism of NM-R3, a light-driven marine bacterial chloride importer in the rhodopsin family
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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5M0W
 | | N-terminal domain of mouse Shisa 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lohkamp, B, Ojala, J.R.M. | | Deposit date: | 2016-10-06 | | Release date: | 2017-04-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Ab initio solution of macromolecular crystal structures without direct methods.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5JEI
 | | Crystal structure of the GluA2 LBD in complex with FW | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, ... | | Authors: | Eibl, C, Salazar, H, Chebli, M, Plested, A.J.R. | | Deposit date: | 2016-04-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.229 Å) | | Cite: | Mechanism of partial agonism in AMPA-type glutamate receptors.
Nat Commun, 8, 2017
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5Z03
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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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5TCP
 | | Near-atomic resolution cryo-EM structure of the periplasmic domains of PrgH and PrgK | | Descriptor: | Lipoprotein PrgK, Protein PrgH | | Authors: | Worrall, L.J, Hong, C, Vuckovic, M, Bergeron, J.R.C, Huang, R.K, Yu, Z, Strynadka, N.C.J. | | Deposit date: | 2016-09-15 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Near-atomic-resolution cryo-EM analysis of the Salmonella T3S injectisome basal body.
Nature, 540, 2016
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7MS2
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7NPF
 | | Vibrio cholerae ParA2-ATPyS-DNA filament | | Descriptor: | AAA family ATPase, DNA (49-MER), MAGNESIUM ION, ... | | Authors: | Parker, A.V, Bergeron, J.R.C. | | Deposit date: | 2021-02-26 | | Release date: | 2021-10-06 | | Last modified: | 2021-10-20 | | Method: | ELECTRON MICROSCOPY (4.5 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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7JYP
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5TCQ
 | | Near-atomic resolution cryo-EM structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG | | Descriptor: | Protein InvG | | Authors: | Worrall, L.J, Hong, C, Vuckovic, M, Bergeron, J.R.C, Huang, R.K, Yu, Z, Strynadka, N.C.J. | | Deposit date: | 2016-09-15 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Near-atomic-resolution cryo-EM analysis of the Salmonella T3S injectisome basal body.
Nature, 540, 2016
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5TCR
 | | Atomic model of the Salmonella SPI-1 type III secretion injectisome basal body proteins InvG, PrgH, and PrgK | | Descriptor: | Lipoprotein PrgK, Protein InvG, Protein PrgH | | Authors: | Worrall, L.J, Hong, C, Vuckovic, M, Bergeron, J.R.C, Huang, R.K, Yu, Z, Strynadka, N.C.J. | | Deposit date: | 2016-09-15 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.3 Å) | | Cite: | Near-atomic-resolution cryo-EM analysis of the Salmonella T3S injectisome basal body.
Nature, 540, 2016
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5TIR
 | | Crystal Structure of Mn Superoxide Dismutase mutant M27V from Trichoderma reesei | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | | Authors: | Mendoza, E.R, Brandao-Neto, J, Pereira, H.M, Ferreira Junior, J.R.S, Garratt, R.C. | | Deposit date: | 2016-10-03 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal Structure of Mn Superoxide Dismutase mutant M27V from Trichoderma reesei
To Be Published
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6NU7
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6NUN
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6NOB
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