6TXW
| V30G Transthyretin structure in complex with Tolcalpone | 分子名称: | Tolcapone, Transthyretin | 著者 | Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S. | 登録日 | 2020-01-14 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.153 Å) | 主引用文献 | Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis. Febs J., 288, 2021
|
|
6TXV
| A25T Transthyretin structure in complex with Tolcalpone | 分子名称: | Tolcapone, Transthyretin | 著者 | Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S. | 登録日 | 2020-01-14 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis. Febs J., 288, 2021
|
|
3OXK
| |
3QI3
| Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691 | 分子名称: | 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | 著者 | Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. | 登録日 | 2011-01-26 | 公開日 | 2011-04-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine. Plos One, 6, 2011
|
|
3OMF
| |
4YEM
| Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 0.9163A - new refinement | 分子名称: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | 著者 | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | 登録日 | 2015-02-24 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
|
|
8DAF
| Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | 分子名称: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | 著者 | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | 登録日 | 2022-06-13 | 公開日 | 2023-06-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators. J.Biol.Chem., 299, 2023
|
|
4YEK
| X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with thymidine | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | 著者 | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | 登録日 | 2015-02-24 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine. Acta Crystallogr.,Sect.F, 72, 2016
|
|
8D6K
| Sco GlgEI-V279S in complex with cyclohexyl carbasugar | 分子名称: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER | 著者 | Jayasinghe, T.J, Ronning, D.R. | 登録日 | 2022-06-06 | 公開日 | 2022-10-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Synthesis of C 7 /C 8 -cyclitols and C 7 N-aminocyclitols from maltose and X-ray crystal structure of Streptomyces coelicolor GlgEI V279S in a complex with an amylostatin GXG-like derivative. Front Chem, 10, 2022
|
|
6HIL
| |
6HIK
| |
7D2B
| Crystal structure of Ixodes scapularis glutaminyl cyclase with a Ni ion bound to the active site | 分子名称: | Glutaminyl-peptide cyclotransferase, NICKEL (II) ION | 著者 | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | 登録日 | 2020-09-16 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
|
|
7D1N
| Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cu ions bound to the active site | 分子名称: | BICARBONATE ION, COPPER (II) ION, Glutaminyl-peptide cyclotransferase | 著者 | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | 登録日 | 2020-09-15 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
|
|
7D2I
| Crystal structure of Ixodes scapularis glutaminyl cyclase with a Fe ion bound to the active site | 分子名称: | FE (III) ION, Glutaminyl-peptide cyclotransferase, SULFATE ION | 著者 | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | 登録日 | 2020-09-16 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
|
|
7D23
| Crystal structure of Ixodes scapularis glutaminyl cyclase with one K ion bound to the active site | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutaminyl-peptide cyclotransferase, POTASSIUM ION | 著者 | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | 登録日 | 2020-09-15 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
|
|
4YEO
| Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ... | 著者 | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | 登録日 | 2015-02-24 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | 主引用文献 | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
|
|
7D1Y
| Crystal structure of Ixodes scapularis glutaminyl cyclase with two Co ions bound to the active site | 分子名称: | COBALT (II) ION, Glutaminyl-peptide cyclotransferase | 著者 | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | 登録日 | 2020-09-15 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
|
|
7D1P
| Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cd ions bound to the active site | 分子名称: | BICARBONATE ION, CADMIUM ION, Glutaminyl-peptide cyclotransferase | 著者 | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | 登録日 | 2020-09-15 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
|
|
7D21
| Crystal structure of Ixodes scapularis glutaminyl cyclase with two Zn ions bound to the active site | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glutaminyl-peptide cyclotransferase, ZINC ION | 著者 | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | 登録日 | 2020-09-15 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
|
|
7D2J
| Crystal structure of Ixodes scapularis glutaminyl cyclase with a Cd ion bound to the active site | 分子名称: | BICARBONATE ION, CADMIUM ION, Glutaminyl-peptide cyclotransferase | 著者 | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | 登録日 | 2020-09-16 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
|
|
7D1H
| Crystal structure of Ixodes scapularis glutaminyl cyclase with D238A mutation | 分子名称: | Glutaminyl-peptide cyclotransferase, ZINC ION | 著者 | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | 登録日 | 2020-09-14 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
|
|
7D2D
| Crystal structure of Ixodes scapularis glutaminyl cyclase with a Mn ion bound to the active site | 分子名称: | Glutaminyl-peptide cyclotransferase, MANGANESE (II) ION | 著者 | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | 登録日 | 2020-09-16 | 公開日 | 2021-04-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
|
|
4YYY
| X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with uridine | 分子名称: | CITRIC ACID, TRIETHYLENE GLYCOL, Thymidine phosphorylase, ... | 著者 | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | 登録日 | 2015-03-24 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine. Acta Crystallogr.,Sect.F, 72, 2016
|
|
4YEN
| Room temperature X-ray diffraction studies of cisplatin binding to HEWL in DMSO media after 14 months of crystal storage - new refinement | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | 著者 | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | 登録日 | 2015-02-24 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
|
|
5Q0K
| Ligand binding to FARNESOID-X-RECEPTOR | 分子名称: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | 著者 | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-05-31 | 公開日 | 2017-07-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
|
|