6DMJ
| A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain | 分子名称: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4 | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | 登録日 | 2018-06-05 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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6DMH
| A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant | 分子名称: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | 登録日 | 2018-06-05 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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6DMK
| A multiconformer ligand model of an isoxazolyl-benzimidazole ligand bound to the bromodomain of human CREBBP | 分子名称: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, CREB-binding protein, ... | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | 登録日 | 2018-06-05 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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6DMI
| A multiconformer ligand model of 5T5 bound to BACE-1 | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | 登録日 | 2018-06-05 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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6DML
| A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4 | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, Bromodomain-containing protein 4 | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | 登録日 | 2018-06-05 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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5TOG
| Room temperature structure of ubiquitin variant u7ub25.2540 | 分子名称: | Polyubiquitin-B, SULFATE ION | 著者 | Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S. | 登録日 | 2016-10-17 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin. Structure, 25, 2017
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5TOF
| Room temperature structure of ubiquitin variant u7ub25 | 分子名称: | Polyubiquitin-B, SULFATE ION | 著者 | Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S. | 登録日 | 2016-10-17 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin. Structure, 25, 2017
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5TQN
| Lipoxygenase-1 (soybean) L546A mutant at 293K | 分子名称: | FE (II) ION, Seed linoleate 13S-lipoxygenase-1 | 著者 | Poss, E.M, Fraser, J.S, Gee, C. | 登録日 | 2016-10-24 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network. J.Am.Chem.Soc., 141, 2019
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5TQO
| Lipoxygenase-1 (soybean) L546A/L754A mutant at 300K | 分子名称: | FE (III) ION, Seed linoleate 13S-lipoxygenase-1 | 著者 | Poss, E.M, Fraser, J.S, Gee, C. | 登録日 | 2016-10-24 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network. J.Am.Chem.Soc., 141, 2019
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5V5E
| Room temperature (280K) crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with allosteric inhibitor (compound 733) | 分子名称: | 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid, ORF 17 | 著者 | Thompson, M.C, Acker, T.M, Fraser, J.S, Craik, C.S. | 登録日 | 2017-03-14 | 公開日 | 2017-04-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | Allosteric Inhibitors, Crystallography, and Comparative Analysis Reveal Network of Coordinated Movement across Human Herpesvirus Proteases. J. Am. Chem. Soc., 139, 2017
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5TQP
| LIPOXYGENASE-1 (SOYBEAN) I553G MUTANT AT 300K | 分子名称: | FE (III) ION, Seed linoleate 13S-lipoxygenase-1 | 著者 | Poss, E.M, Fraser, J.S. | 登録日 | 2016-10-24 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling. ACS Cent Sci, 3, 2017
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5TR0
| Lipoxygenase-1 (soybean) L754A mutant at 293K | 分子名称: | FE (II) ION, Seed linoleate 13S-lipoxygenase-1 | 著者 | Poss, E.M, Fraser, J.S. | 登録日 | 2016-10-24 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network. J.Am.Chem.Soc., 141, 2019
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5V5D
| Room temperature (280K) crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with allosteric inhibitor (compound 250) | 分子名称: | 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid, ORF 17 | 著者 | Thompson, M.C, Acker, T.M, Fraser, J.S, Craik, C.S. | 登録日 | 2017-03-14 | 公開日 | 2017-04-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | 主引用文献 | Allosteric Inhibitors, Crystallography, and Comparative Analysis Reveal Network of Coordinated Movement across Human Herpesvirus Proteases. J. Am. Chem. Soc., 139, 2017
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5UM1
| XFEL structure of influenza A M2 wild type TM domain at intermediate pH in the lipidic cubic phase at room temperature | 分子名称: | CALCIUM ION, CHLORIDE ION, Matrix protein 2 | 著者 | Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F. | 登録日 | 2017-01-25 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | 主引用文献 | XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TTC
| XFEL structure of influenza A M2 wild type TM domain at high pH in the lipidic cubic phase at room temperature | 分子名称: | CALCIUM ION, CHLORIDE ION, Matrix protein 2 | 著者 | Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F. | 登録日 | 2016-11-02 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5KV7
| Human cyclophilin A at 278K, Data set 9 | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | 登録日 | 2016-07-13 | 公開日 | 2016-08-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KW7
| T. danielli thaumatin at 278K, Data set 4 | 分子名称: | L(+)-TARTARIC ACID, Thaumatin-1 | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S. | 登録日 | 2016-07-15 | 公開日 | 2016-08-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KXK
| Hen Egg White Lysozyme at 100K, Data set 1 | 分子名称: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | 登録日 | 2016-07-20 | 公開日 | 2016-09-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.198 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KXP
| Hen Egg White Lysozyme at 278K, Data set 2 | 分子名称: | Lysozyme C, SODIUM ION | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | 登録日 | 2016-07-20 | 公開日 | 2016-09-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KUL
| Human cyclophilin A at 100K, Data set 1 | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | 登録日 | 2016-07-13 | 公開日 | 2016-09-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KXY
| Hen Egg White Lysozyme at 278K, Data set 8 | 分子名称: | Lysozyme C, SODIUM ION | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | 登録日 | 2016-07-20 | 公開日 | 2016-09-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KUU
| Human cyclophilin A at 100K, Data set 7 | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | 登録日 | 2016-07-13 | 公開日 | 2016-08-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KV2
| Human cyclophilin A at 278K, Data set 4 | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | 登録日 | 2016-07-13 | 公開日 | 2016-08-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KUS
| Human cyclophilin A at 100K, Data set 6 | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | 登録日 | 2016-07-13 | 公開日 | 2016-08-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KV1
| Human cyclophilin A at 278K, Data set 3 | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | 登録日 | 2016-07-13 | 公開日 | 2016-08-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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