7YKB
| Neutron Structure of PcyA D105N Mutant Complexed with Biliverdin at Room Temperature | 分子名称: | 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 | 著者 | Unno, M, Nanasawa, R. | 登録日 | 2022-07-22 | 公開日 | 2023-01-25 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.38 Å), X-RAY DIFFRACTION | 主引用文献 | 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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5JPC
| Joint X-ray/neutron structure of MTAN complex with Formycin A | 分子名称: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Aminodeoxyfutalosine nucleosidase | 著者 | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | 登録日 | 2016-05-03 | 公開日 | 2016-11-16 | 最終更新日 | 2024-03-06 | 実験手法 | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5KB3
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5K1Z
| Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase | 著者 | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | 登録日 | 2016-05-18 | 公開日 | 2016-11-16 | 最終更新日 | 2024-03-06 | 実験手法 | NEUTRON DIFFRACTION (2.6 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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1WQ2
| Neutron Crystal Structure Of Dissimilatory Sulfite Reductase D (DsrD) | 分子名称: | Protein dsvD, SULFATE ION | 著者 | Chatake, T, Mizuno, N, Voordouw, G, Higuchi, Y, Arai, S, Tanaka, I, Niimura, N. | 登録日 | 2004-09-19 | 公開日 | 2005-09-19 | 最終更新日 | 2023-10-25 | 実験手法 | NEUTRON DIFFRACTION (2.4 Å) | 主引用文献 | Crystallization and preliminary neutron analysis of the dissimilatory sulfite reductase D (DsrD) protein from the sulfate-reducing bacterium Desulfovibrio vulgaris. Acta Crystallogr.,Sect.D, 59, 2003
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7F4Z
| X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1B, ... | 著者 | Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M. | 登録日 | 2021-06-21 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP. Iucrj, 9, 2022
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7F50
| X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with AMPPnP | 分子名称: | CHLORIDE ION, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ... | 著者 | Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M. | 登録日 | 2021-06-21 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.703 Å) | 主引用文献 | Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP. Iucrj, 9, 2022
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5CCD
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5CCE
| Joint X-ray/neutron structure of wild type MTAN complexed with SRH and adenine | 分子名称: | 5'-Methylthioadenosine Nucleosidase, ADENINE, S-ribosylhomocysteine, ... | 著者 | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | 登録日 | 2015-07-02 | 公開日 | 2016-11-16 | 最終更新日 | 2023-09-27 | 実験手法 | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6AJX
| Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO | 分子名称: | 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, SODIUM ION | 著者 | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | 登録日 | 2018-08-28 | 公開日 | 2019-06-12 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.887 Å) | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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6AJY
| Crystal structure of BRD4 in complex with 2',4'-dihydroxy-2-methoxychalcone | 分子名称: | 2',4'-dihydroxy-2-methoxychalcone, Bromodomain-containing protein 4, SODIUM ION | 著者 | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | 登録日 | 2018-08-28 | 公開日 | 2019-06-12 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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6AJW
| Crystal structure of BRD4 in complex with DMSO (Cocktail No. 4) | 分子名称: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, SODIUM ION | 著者 | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | 登録日 | 2018-08-28 | 公開日 | 2019-06-12 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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5JPR
| Neutron Structure of Compound II of Ascorbate Peroxidase | 分子名称: | Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Kwon, H, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | 登録日 | 2016-05-04 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.806 Å), X-RAY DIFFRACTION | 主引用文献 | Direct visualization of a Fe(IV)-OH intermediate in a heme enzyme. Nat Commun, 7, 2016
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5JQR
| The Structure of Ascorbate Peroxidase Compound II formed by reaction with m-CPBA | 分子名称: | Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Kwon, H, Raven, E.L, Moody, P.C.E. | 登録日 | 2016-05-05 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Direct visualization of a Fe(IV)-OH intermediate in a heme enzyme. Nat Commun, 7, 2016
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4Q49
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6EYM
| Neutron crystal structure of perdeuterated galectin-3C in complex with lactose | 分子名称: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T. | 登録日 | 2017-11-13 | 公開日 | 2018-09-12 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
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6F2Q
| Neutron crystal structure of perdeuterated galectin-3C in the ligand-free form | 分子名称: | Galectin-3 | 著者 | Manzoni, F, Blakeley, M.P, Oksanen, E, Logan, D.T. | 登録日 | 2017-11-27 | 公開日 | 2018-05-02 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.03 Å), X-RAY DIFFRACTION | 主引用文献 | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
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5ZN4
| X-ray structure of protein kinase ck2 alpha subunit H148N mutant | 分子名称: | Casein kinase II subunit alpha, SULFATE ION | 著者 | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | 登録日 | 2018-04-07 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | 主引用文献 | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
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5ZN1
| X-ray structure of protein kinase ck2 alpha subunit in D2O | 分子名称: | Casein kinase II subunit alpha, SULFATE ION | 著者 | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | 登録日 | 2018-04-07 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
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5ZN5
| X-ray structure of protein kinase ck2 alpha subunit H148A mutant | 分子名称: | Casein kinase II subunit alpha, SULFATE ION | 著者 | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | 登録日 | 2018-04-07 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
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5ZN2
| X-ray structure of protein kinase ck2 alpha subunit H148A mutant | 分子名称: | Casein kinase II subunit alpha, SULFATE ION | 著者 | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | 登録日 | 2018-04-07 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
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5ZN3
| X-ray structure of protein kinase ck2 alpha subunit H148S mutant | 分子名称: | Casein kinase II subunit alpha, SULFATE ION | 著者 | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | 登録日 | 2018-04-07 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography. J. Mol. Biol., 430, 2018
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6AJV
| Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3) | 分子名称: | 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | 著者 | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | 登録日 | 2018-08-28 | 公開日 | 2019-06-12 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
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5MN1
| Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 100 K) | 分子名称: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2016-12-12 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.79 Å) | 主引用文献 | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
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5MNB
| Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K) | 分子名称: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2016-12-13 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.939 Å) | 主引用文献 | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
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