6AJZ
| Joint nentron and X-ray structure of BRD4 in complex with colchicin | 分子名称: | Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, SODIUM ION | 著者 | Yokoyama, T, Ostermann, A, Schrader, T.E, 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 | NEUTRON DIFFRACTION (1.301 Å), X-RAY DIFFRACTION | 主引用文献 | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4. Febs J., 286, 2019
|
|
5ZN0
| Joint X-ray/neutron structure of protein kinase ck2 alpha subunit | 分子名称: | Casein kinase II subunit alpha, SULFATE ION | 著者 | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Ostermann, A, Schrader, T.E, Sunami, T, Kuroki, R, Adachi, M. | 登録日 | 2018-04-07 | 公開日 | 2018-11-21 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | 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
|
|
5A93
| 293K Joint X-ray Neutron with Cefotaxime: EXPLORING THE MECHANISM OF BETA-LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY | 分子名称: | BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ... | 著者 | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | 登録日 | 2015-07-17 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | NEUTRON DIFFRACTION (1.598 Å), X-RAY DIFFRACTION | 主引用文献 | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
|
|
5A91
| 15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | 分子名称: | Beta-lactamase Toho-1, SULFATE ION | 著者 | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | 登録日 | 2015-07-17 | 公開日 | 2015-12-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
|
|
5A92
| 15K X-ray structure with Cefotaxime: Exploring the Mechanism of beta- Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | 分子名称: | BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ... | 著者 | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | 登録日 | 2015-07-17 | 公開日 | 2015-12-16 | 最終更新日 | 2018-10-03 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
|
|
5CG5
| Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate | 分子名称: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION | 著者 | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | 登録日 | 2015-07-09 | 公開日 | 2015-10-14 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.402 Å), X-RAY DIFFRACTION | 主引用文献 | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase J.Med.Chem., 58, 2015
|
|
5A90
| 100K Neutron Ligand Free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | 分子名称: | BETA-LACTAMASE CTX-M-97 | 著者 | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | 登録日 | 2015-07-17 | 公開日 | 2015-12-16 | 最終更新日 | 2024-05-08 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å) | 主引用文献 | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
|
|
5CG6
| Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate | 分子名称: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | 著者 | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | 登録日 | 2015-07-09 | 公開日 | 2015-10-14 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase J.Med.Chem., 58, 2015
|
|
5MON
| Joint X-ray/neutron structure of cationic trypsin in complex with 2-aminopyridine | 分子名称: | 2-AMINOPYRIDINE, 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 | 2017-05-24 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (0.939 Å), X-RAY DIFFRACTION | 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
|
|
5MNY
| Neutron structure of cationic trypsin in complex with aniline | 分子名称: | CALCIUM ION, Cationic trypsin, phenylazanium | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, 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 | NEUTRON DIFFRACTION (1.43 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
|
|
5MNX
| Neutron structure of cationic trypsin in complex with 2-aminopyridine | 分子名称: | 2-AMINOPYRIDINE, 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 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | NEUTRON DIFFRACTION (1.42 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
|
|
5MOO
| Joint X-ray/neutron structure of cationic trypsin in complex with aniline | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | 登録日 | 2016-12-14 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.441 Å), X-RAY DIFFRACTION | 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
|
|
5MNZ
| Neutron structure of cationic trypsin in its apo form | 分子名称: | 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 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | NEUTRON DIFFRACTION (1.45 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
|
|
5MOS
| Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | 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 (0.96 Å), X-RAY DIFFRACTION | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
|
|
5MOQ
| Joint X-ray/neutron structure of cationic trypsin in complex with benzamidine | 分子名称: | BENZAMIDINE, 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 (0.93 Å), X-RAY DIFFRACTION | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
|
|
5MOP
| Joint X-ray/neutron structure of cationic trypsin in its apo form | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | 登録日 | 2016-12-14 | 公開日 | 2018-01-17 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (0.99 Å), X-RAY DIFFRACTION | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
|
|
5MO0
| Neutron structure of cationic trypsin in complex with benzamidine | 分子名称: | BENZAMIDINE, 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 (1.502 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
|
|
5MO2
| Neutron structure of cationic trypsin in complex with N-amidinopiperidine | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | 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 (1.5 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
|
|
5NFE
| Neutron structure of human transthyretin (TTR) T119M mutant at room temperature to 1.85A resolution | 分子名称: | Transthyretin | 著者 | Yee, A.W, Moulin, M, Blakeley, M.P, Ostermann, A, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | 登録日 | 2017-03-14 | 公開日 | 2019-01-02 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.853 Å), X-RAY DIFFRACTION | 主引用文献 | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
|
|
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
|
|
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
|
|