5ZII
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6FFT
| Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue) | 分子名称: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | 著者 | Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | 登録日 | 2018-01-09 | 公開日 | 2019-01-02 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | 主引用文献 | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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6FJJ
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6FJI
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6GCY
| Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex) | 分子名称: | Carbonic anhydrase 2, ZINC ION, [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside | 著者 | Fisher, S.Z, Koruza, K. | 登録日 | 2018-04-20 | 公開日 | 2019-02-06 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.3 Å), X-RAY DIFFRACTION | 主引用文献 | Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative. J. Struct. Biol., 205, 2019
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5MNA
| Cationic trypsin in complex with aniline (deuterated sample at 295 K) | 分子名称: | ANILINE, 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 (1.441 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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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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5MNC
| Cationic trypsin in complex with aniline (deuterated sample at 100 K) | 分子名称: | ANILINE, 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 (0.916 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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5MNG
| Cationic trypsin in complex with benzamidine (deuterated sample at 100 K) | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2016-12-13 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.86 Å) | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNH
| Cationic trypsin in complex with benzamidine (deuterated sample at 295 K) | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2016-12-13 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNO
| Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K) | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2016-12-13 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNF
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5MNQ
| Cationic trypsin in complex with a derivative of N-amidinopiperidine | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | 著者 | Schiebel, J, Ngo, K, Heine, A, Klebe, G. | 登録日 | 2016-12-13 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.337 Å) | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5MNE
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5MNN
| Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 K) | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2016-12-13 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.859 Å) | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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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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5NFW
| Neutron structure of human transthyretin (TTR) S52P mutant at room temperature to 1.8A resolution (quasi-Laue) | 分子名称: | Transthyretin | 著者 | Yee, A.W, Moulin, M, Blakeley, M.P, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | 登録日 | 2017-03-16 | 公開日 | 2019-01-02 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | 主引用文献 | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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5MO1
| Neutron structure of cationic trypsin in complex with benzylamine | 分子名称: | (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | 登録日 | 2016-12-13 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | NEUTRON DIFFRACTION (1.491 Å) | 主引用文献 | Neutron structure of cationic trypsin in complex with benzylamine to be published
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5MOR
| Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine | 分子名称: | (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin, ... | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | 登録日 | 2016-12-14 | 公開日 | 2018-02-28 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION | 主引用文献 | Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine to be published
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