7VEI
 
 | | Neutron structure of D2O-solvent lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | | Authors: | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | | Deposit date: | 2021-09-08 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | NEUTRON DIFFRACTION (2 Å) | | Cite: | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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5HNC
 | | Synchrotron X-ray single crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels | | Descriptor: | Lysozyme C | | Authors: | Tsukui, S, Kimura, F, Kusaka, K, Baba, S, Mizuno, N, Kimura, T. | | Deposit date: | 2016-01-18 | | Release date: | 2016-07-20 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Neutron and X-ray single-crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels.
Acta Crystallogr D Struct Biol, 72, 2016
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5HNL
 | | In-house X-ray single crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels | | Descriptor: | Lysozyme C | | Authors: | Tsukui, S, Kimura, F, Kusaka, K, Baba, S, Mizuno, N, Kimura, T. | | Deposit date: | 2016-01-18 | | Release date: | 2016-07-20 | | Method: | X-RAY DIFFRACTION (2.424 Å) | | Cite: | Neutron and X-ray single-crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels.
Acta Crystallogr D Struct Biol, 72, 2016
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7FCW
 | | X-ray structure of H2O-solvent lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | | Authors: | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | | Deposit date: | 2021-07-15 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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7FCU
 | | X-ray structure of D2O-solvent lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | | Authors: | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | | Deposit date: | 2021-07-15 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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6L9C
 | | Neutron structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 | | Descriptor: | COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION | | Authors: | Murakawa, T, Kurihara, K, Shoji, M, Shibazaki, C, Sunami, T, Tamada, T, Yano, N, Yamada, T, Kusaka, K, Suzuki, M, Shigeta, Y, Kuroki, R, Hayashi, H, Yano, Y, Tanizawa, K, Adachi, M, Okajima, T. | | Deposit date: | 2019-11-08 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-22 | | Method: | NEUTRON DIFFRACTION (1.14 Å), X-RAY DIFFRACTION | | Cite: | Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5CG5
 | | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION | | Authors: | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | | Deposit date: | 2015-07-09 | | Release date: | 2015-10-14 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.402 Å), X-RAY DIFFRACTION | | Cite: | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
J.Med.Chem., 58, 2015
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5CG6
 | | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | | Authors: | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | | Deposit date: | 2015-07-09 | | Release date: | 2015-10-14 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
J.Med.Chem., 58, 2015
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7VOS
 | | High-resolution neutron and X-ray joint refined structure of high-potential iron-sulfur protein in the oxidized state | | Descriptor: | AMMONIUM ION, GLYCEROL, High-potential iron-sulfur protein, ... | | Authors: | Hanazono, Y, Hirano, Y, Takeda, K, Kusaka, K, Tamada, T, Miki, K. | | Deposit date: | 2021-10-14 | | Release date: | 2022-06-01 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (0.66 Å), X-RAY DIFFRACTION | | Cite: | Revisiting the concept of peptide bond planarity in an iron-sulfur protein by neutron structure analysis.
Sci Adv, 8, 2022
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8W48
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8I4D
 | | X-ray structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex at 100K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S. | | Deposit date: | 2023-01-19 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography.
J.Biol.Chem., 300, 2024
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6KK8
 | | XN joint refinement of manganese catalase from Thermus Thermophilus HB27 | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (III) ION, OXYGEN ATOM, ... | | Authors: | Yamada, T, Yano, N, Kusaka, K. | | Deposit date: | 2019-07-24 | | Release date: | 2019-09-04 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.37 Å), X-RAY DIFFRACTION | | Cite: | Single-crystal time-of-flight neutron Laue methods: application to manganese catalase from Thermus thermophilus HB27
J.Appl.Crystallogr., 2019
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6L46
 | | High-resolution neutron and X-ray joint refined structure of copper-containing nitrite reductase from Geobacillus thermodenitrificans | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Fukuda, Y, Hirano, Y, Kusaka, K, Inoue, T, Tamada, T. | | Deposit date: | 2019-10-16 | | Release date: | 2020-02-12 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.3 Å), X-RAY DIFFRACTION | | Cite: | High-resolution neutron crystallography visualizes an OH-bound resting state of a copper-containing nitrite reductase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3X2P
 | | Neutron and X-ray joint refined structure of PcCel45A with cellopentaose at 298K. | | Descriptor: | Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | | Deposit date: | 2014-12-22 | | Release date: | 2015-10-14 | | Last modified: | 2020-07-29 | | Method: | NEUTRON DIFFRACTION (1.518 Å), X-RAY DIFFRACTION | | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
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3X2O
 | | Neutron and X-ray joint refined structure of PcCel45A apo form at 298K. | | Descriptor: | Endoglucanase V-like protein | | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | | Deposit date: | 2014-12-22 | | Release date: | 2015-10-07 | | Last modified: | 2019-12-18 | | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
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3U2J
 | | Neutron crystal structure of human Transthyretin | | Descriptor: | Transthyretin | | Authors: | Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N. | | Deposit date: | 2011-10-03 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-01 | | Method: | NEUTRON DIFFRACTION (2 Å) | | Cite: | Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin
J.Struct.Biol., 177, 2012
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3U2I
 | | X-ray crystal structure of human Transthyretin at room temperature | | Descriptor: | Transthyretin | | Authors: | Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N. | | Deposit date: | 2011-10-03 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin
J.Struct.Biol., 177, 2012
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7YQS
 | | Neutron structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S. | | Deposit date: | 2022-08-08 | | Release date: | 2023-08-09 | | Last modified: | 2024-03-27 | | Method: | NEUTRON DIFFRACTION (1.25 Å), X-RAY DIFFRACTION | | Cite: | Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography.
J.Biol.Chem., 300, 2024
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4QCD
 | | Neutron crystal structure of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin IXalpha at room temperature. | | Descriptor: | BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase, trideuteriooxidanium | | Authors: | Unno, M, Ishikawa-Suto, K, Ishihara, M, Hagiwara, Y, Sugishima, M, Wada, K, Fukuyama, K. | | Deposit date: | 2014-05-10 | | Release date: | 2015-04-29 | | Last modified: | 2024-03-20 | | Method: | NEUTRON DIFFRACTION (1.932 Å), X-RAY DIFFRACTION | | Cite: | Insights into the Proton Transfer Mechanism of a Bilin Reductase PcyA Following Neutron Crystallography.
J. Am. Chem. Soc., 137, 2015
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4ZM7
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8W6X
 | | Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Hiromoto, T, Tamada, T. | | Deposit date: | 2023-08-30 | | Release date: | 2023-09-13 | | Last modified: | 2023-11-15 | | Method: | NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION | | Cite: | New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase.
Chem Sci, 14, 2023
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8J6G
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7YK9
 | | Neutron Structure of PcyA I86D Mutant Complexed with Biliverdin at Room Temperature | | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase | | Authors: | Unno, M, Igarashi, K. | | Deposit date: | 2022-07-22 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | | Cite: | Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states.
J.Biol.Chem., 299, 2022
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7YKB
 | | Neutron Structure of PcyA D105N Mutant Complexed with Biliverdin at Room Temperature | | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION | | Authors: | Unno, M, Nanasawa, R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.38 Å), X-RAY DIFFRACTION | | Cite: | Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states.
J.Biol.Chem., 299, 2022
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7YL8
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