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PDB: 3272 件
8A7X
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NaK C-DI F92A mutant soaked in Cs+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CESIUM ION, POTASSIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2022-06-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
8A35
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NaK C-DI mutant with Rb+ and Na+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2022-06-07
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7ZPZ
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Crystal structure of Pizza6-TSR-TSH with Silicotungstic Acid (STA) polyoxometalate
分子名称: Keggin (STA), Pizza6-TSR-TSH
著者Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
登録日2022-04-29
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
7ZQ2
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Crystal structure of Pizza6-RSH-TSH with Silicotungstic Acid (STA) polyoxometalate
分子名称: Keggin (STA), Pizza6-RSH-TSH
著者Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
登録日2022-04-29
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
7ZQG
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Crystal structure of Pizza6-KSH-TSH with Silicotungstic Acid (STA) polyoxometalate
分子名称: Keggin (STA), Pizza6-KSH-TSH
著者Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
登録日2022-04-29
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
7ZPW
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Crystal structure of Pizza6-TSK-TSH with Silicotungstic Acid (STA) polyoxometalate
分子名称: Keggin (STA), Pizza6-TSK-TSH
著者Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
登録日2022-04-29
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mutational study of a symmetry matched protein-polyoxometalate interface.
To be published
7ZPH
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Crystal structure of Pizza6-TNK-RSH with Silicotungstic Acid (STA) polyoxometalate
分子名称: Keggin (STA), Pizza6-TNK-RSH
著者Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
登録日2022-04-27
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
7D5A
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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
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者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.
登録日2020-09-25
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
7D5U
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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
分子名称: 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
著者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.
登録日2020-09-28
公開日2021-03-31
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献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
7D2X
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BU of 7d2x by Molmil
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
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者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.
登録日2020-09-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献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
7D2V
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BU of 7d2v by Molmil
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
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者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.
登録日2020-09-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
7D5B
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BU of 7d5b by Molmil
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
分子名称: 1,2-ETHANEDIOL, Beta-secretase 2, CHLORIDE ION, ...
著者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.
登録日2020-09-25
公開日2021-03-31
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献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
8AYQ
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BU of 8ayq by Molmil
NaK C-DI mutant with Rb+ and Ca2+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2022-09-02
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel.
J.Chem.Inf.Model., 63, 2023
8AYP
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NaK C-DI mutant with Rb+ and Ba2+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, Potassium channel protein, ...
著者Minniberger, S, Plested, A.J.R.
登録日2022-09-02
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel.
J.Chem.Inf.Model., 63, 2023
5Z01
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BU of 5z01 by Molmil
Native Escherichia coli L,D-carboxypeptidase A (LdcA)
分子名称: MAGNESIUM ION, Murein tetrapeptide carboxypeptidase
著者Meyer, K, Tame, J.R.H.
登録日2017-12-18
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The crystal structure and oligomeric form of Escherichia colil,d-carboxypeptidase A.
Biochem. Biophys. Res. Commun., 499, 2018
7FCI
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BU of 7fci by Molmil
human NTCP in complex with YN69083 Fab
分子名称: Fab Heavy chain, Fab Light chain, Sodium/bile acid cotransporter
著者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.
登録日2021-07-14
公開日2022-05-25
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into the HBV receptor and bile acid transporter NTCP.
Nature, 606, 2022
7F1D
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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
分子名称: 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
著者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.
登録日2021-06-09
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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
7F1G
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BU of 7f1g by Molmil
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
分子名称: 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
著者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.
登録日2021-06-09
公開日2022-02-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
5Z03
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BU of 5z03 by Molmil
Mutant (S106A) Escherichia coli L,D-carboxypeptidase A (LdcA)
分子名称: Murein tetrapeptide carboxypeptidase
著者Meyer, K, Tame, J.R.H.
登録日2017-12-18
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献The crystal structure and oligomeric form of Escherichia colil,d-carboxypeptidase A.
Biochem. Biophys. Res. Commun., 499, 2018
4Q23
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BU of 4q23 by Molmil
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
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者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.
登録日2014-04-05
公開日2015-03-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
8CMY
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BU of 8cmy by Molmil
Structure of the Cyanobium sp. PCC 7001 determined with C1 symmetry
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ...
著者Evans, S.L, Bergeron, J.R.C.
登録日2023-02-21
公開日2023-03-22
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.79 Å)
主引用文献Single-particle cryo-EM analysis of the shell architecture and internal organization of an intact alpha-carboxysome.
Structure, 31, 2023
8DDA
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BU of 8dda by Molmil
Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain
分子名称: Alpha-aminoadipic semialdehyde synthase, mitochondrial, SULFATE ION
著者Muniz, J.R.C, Kopec, J, Rembeza, E, Burgess-Brown, N, Bountra, C, Yue, W.W.
登録日2022-06-17
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain
To Be Published
4G1I
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BU of 4g1i by Molmil
Structure of the PrgH periplasmic domain
分子名称: PENTAETHYLENE GLYCOL, PHOSPHATE ION, Protein prgH
著者Bergeron, J.R.C, Worrall, L.J, Strynadka, N.C.J.
登録日2012-07-10
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
4FZS
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Structure of human SNX1 BAR domain
分子名称: Sorting nexin-1
著者van Weering, J.R.T, Sessions, R.B, Traer, C.J, Kloer, D.P, Bhatia, V.K, Stamou, D, Hurley, J.H, Cullen, P.J.
登録日2012-07-07
公開日2013-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular insight into vesicle-to-tubule membrane remodeling by SNX-BAR proteins
To be Published
4XX2
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BU of 4xx2 by Molmil
Ohr from Xylella fastidiosa in oxidized state
分子名称: Organic hydroperoxide resistance protein
著者Alegria, T.G.P, Discola, K.F, Cussiol, J.R.R, Oliveira, M.A, Netto, L.E.S.
登録日2015-01-29
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ohr from Xylella fastidiosa in oxidized state
To Be Published

222415

件を2024-07-10に公開中

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