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8CWE
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BU of 8cwe by Molmil
20ns Temperature-Jump (Dark2) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
登録日2022-05-19
公開日2022-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
8CVV
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BU of 8cvv by Molmil
20ns Temperature-Jump (Dark1) XFEL structure of Lysozyme
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
登録日2022-05-18
公開日2022-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
8CWD
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BU of 8cwd by Molmil
20ns Temperature-Jump (Dark1) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
登録日2022-05-19
公開日2022-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
8CVW
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BU of 8cvw by Molmil
20ns Temperature-Jump (Dark2) XFEL structure of Lysozyme
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
登録日2022-05-18
公開日2022-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
8CWF
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BU of 8cwf by Molmil
200us Temperature-Jump (Light) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
登録日2022-05-19
公開日2022-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
8CW5
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BU of 8cw5 by Molmil
200us Temperature-Jump (Light) XFEL structure of Lysozyme
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
登録日2022-05-18
公開日2022-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
8CWC
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BU of 8cwc by Molmil
20ns Temperature-Jump (Light) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E.
登録日2022-05-19
公開日2022-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography.
Nat.Chem., 15, 2023
6LW0
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BU of 6lw0 by Molmil
Crystal structure of TLR7/Cpd-6 (DSR-139293) complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine, ...
著者Zhang, Z, Ohto, U, Shimizu, T.
登録日2020-02-06
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis reveals TLR7 dynamics underlying antagonism.
Nat Commun, 11, 2020
6LW1
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BU of 6lw1 by Molmil
Cryo-EM structure of TLR7/Cpd-7 (DSR-139970) complex in open form
分子名称: 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine, Toll-like receptor 7
著者Zhang, Z, Ohto, U, Shimizu, T.
登録日2020-02-06
公開日2020-11-11
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural analysis reveals TLR7 dynamics underlying antagonism.
Nat Commun, 11, 2020
6LVZ
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BU of 6lvz by Molmil
Crystal structure of TLR7/Cpd-3 (SM-394830) complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one, ...
著者Zhang, Z, Ohto, U, Shimizu, T.
登録日2020-02-06
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structural analysis reveals TLR7 dynamics underlying antagonism.
Nat Commun, 11, 2020
6LVX
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BU of 6lvx by Molmil
Crystal structure of TLR7/Cpd-1 (SM-374527) complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one, ...
著者Zhang, Z, Ohto, U, Shimizu, T.
登録日2020-02-06
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural analysis reveals TLR7 dynamics underlying antagonism.
Nat Commun, 11, 2020
5JGD
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BU of 5jgd by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12
分子名称: N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-04-20
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
5JGA
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BU of 5jga by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 11c
分子名称: N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-04-19
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
5JGB
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BU of 5jgb by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 10
分子名称: N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-04-20
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
5WZR
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BU of 5wzr by Molmil
Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - Gal-NHAc-DNJ complex
分子名称: Alpha-N-acetylgalactosaminidase, CALCIUM ION, N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, ...
著者Sato, M, Arakawa, T, Ashida, H, Fushinobu, S.
登録日2017-01-18
公開日2017-06-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
J. Biol. Chem., 292, 2017
5WZP
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BU of 5wzp by Molmil
Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - ligand free
分子名称: Alpha-N-acetylgalactosaminidase, CALCIUM ION, ZINC ION
著者Sato, M, Arakawa, T, Ashida, H, Fushinobu, S.
登録日2017-01-18
公開日2017-06-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
J. Biol. Chem., 292, 2017
5WZQ
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BU of 5wzq by Molmil
Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - quadruple mutant
分子名称: Alpha-N-acetylgalactosaminidase, GLYCEROL, ZINC ION
著者Sato, M, Arakawa, T, Ashida, H, Fushinobu, S.
登録日2017-01-18
公開日2017-06-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
J. Biol. Chem., 292, 2017
5WZN
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BU of 5wzn by Molmil
Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - GalNAc complex
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Alpha-N-acetylgalactosaminidase, CALCIUM ION, ...
著者Sato, M, Arakawa, T, Ashida, H, Fushinobu, S.
登録日2017-01-18
公開日2017-06-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
J. Biol. Chem., 292, 2017
6A3J
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BU of 6a3j by Molmil
Levoglucosan dehydrogenase, complex with NADH and L-sorbose
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative dehydrogenase, ...
著者Sugiura, M, Yamada, C, Arakawa, T, Fushinobu, S.
登録日2018-06-15
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification, functional characterization, and crystal structure determination of bacterial levoglucosan dehydrogenase.
J. Biol. Chem., 293, 2018
1WTG
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BU of 1wtg by Molmil
Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine
分子名称: 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE), CALCIUM ION, Coagulation factor VII, ...
著者Kadono, S, Sakamoto, S, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Kitazawa, K, Yoshihashi, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Kodama, M, Haramura, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T.
登録日2004-11-23
公開日2005-11-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 326, 2005
5JOO
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BU of 5joo by Molmil
XFEL structure of influenza A M2 wild type TM domain at low pH in the lipidic cubic phase at room temperature
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
登録日2016-05-02
公開日2017-08-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.413 Å)
主引用文献XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8IBS
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BU of 8ibs by Molmil
Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E160A/E318A mutant in complex with galactose
分子名称: Beta-galactosidase, alpha-D-galactopyranose
著者Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T.
登録日2023-02-10
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
8IBR
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BU of 8ibr by Molmil
Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis in complex with glycerol
分子名称: Beta-galactosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL
著者Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T.
登録日2023-02-10
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
8IBT
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BU of 8ibt by Molmil
Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E318S mutant in complex with lacto-N-tetraose
分子名称: Beta-galactosidase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T.
登録日2023-02-10
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
8IRG
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BU of 8irg by Molmil
XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 30-microsecond delay
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, H, Suga, M, Shen, J.R.
登録日2023-03-17
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024

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件を2024-07-31に公開中

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