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
|
|
4C3Q
| Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K | 分子名称: | BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1 | 著者 | Coates, L, Tomanicek, S.J, Schrader, T, Weiss, K.L, Ng, J.D, Ostermann, A. | 登録日 | 2013-08-26 | 公開日 | 2014-07-09 | 最終更新日 | 2017-03-22 | 実験手法 | NEUTRON DIFFRACTION (2.2 Å) | 主引用文献 | Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits J.Appl.Crystallogr., 47, 2014
|
|
4BD1
| Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) | 分子名称: | BENZO[B]THIOPHENE-2-BORONIC ACID, TOHO-1 BETA-LACTAMASE | 著者 | Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L. | 登録日 | 2012-10-04 | 公開日 | 2013-01-16 | 最終更新日 | 2017-03-22 | 実験手法 | NEUTRON DIFFRACTION (2.002 Å) | 主引用文献 | Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction. J.Biol.Chem., 288, 2013
|
|
4BD0
| X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) | 分子名称: | BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1, SULFATE ION | 著者 | Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L. | 登録日 | 2012-10-04 | 公開日 | 2013-01-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.207 Å) | 主引用文献 | Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction. J.Biol.Chem., 288, 2013
|
|
6EXY
| Neutron crystal structure of perdeuterated galectin-3C in complex with glycerol | 分子名称: | GLYCEROL, Galectin-3 | 著者 | Manzoni, F, Schrader, T.E, Ostermann, A, Oksanen, E, Logan, D.T. | 登録日 | 2017-11-10 | 公開日 | 2018-09-12 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.1 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
|
|
2BLI
| L29W Mb deoxy | 分子名称: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Nienhaus, K, Ostermann, A, Nienhaus, G.U, Parak, F.G, Schmidt, M. | 登録日 | 2005-03-04 | 公開日 | 2005-04-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W Biochemistry, 44, 2005
|
|
2BLH
| Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W | 分子名称: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Nienhaus, K, Ostermann, A, Nienhaus, G.U, Parak, F.G, Schmidt, M. | 登録日 | 2005-03-04 | 公開日 | 2005-04-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W Biochemistry, 44, 2005
|
|
2BLJ
| Structure of L29W MbCO | 分子名称: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Nienhaus, K, Ostermann, A, Nienhaus, G.U, Parak, F.G, Schmidt, M. | 登録日 | 2005-03-04 | 公開日 | 2005-04-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W Biochemistry, 44, 2005
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
4Y0J
| |
4S2G
| Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 5.8 | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Kovalevsky, A, Wan, Q, Langan, P. | 登録日 | 2015-01-20 | 公開日 | 2015-09-23 | 最終更新日 | 2019-12-25 | 実験手法 | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4S2F
| Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 4.4 | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Kovalevsky, A, Wan, Q, Langan, P. | 登録日 | 2015-01-20 | 公開日 | 2015-09-23 | 最終更新日 | 2019-12-25 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4S2H
| Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 8.5 | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Kovalevsky, A, Wan, Q, Langan, P. | 登録日 | 2015-01-20 | 公開日 | 2015-09-23 | 最終更新日 | 2019-12-25 | 実験手法 | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4S2D
| Joint X-ray/neutron structure of Trichoderma reesei xylanase II in complex with MES at pH 5.7 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Kovalevsky, A.Y, Wan, Q, Langan, P. | 登録日 | 2015-01-20 | 公開日 | 2015-09-23 | 最終更新日 | 2019-12-25 | 実験手法 | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
7YK9
| Neutron Structure of PcyA I86D 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 | 著者 | Unno, M, Igarashi, K. | 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 (1.9 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
|
|