6G2S
| Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside | 分子名称: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin | 著者 | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | 登録日 | 2018-03-23 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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6G2R
| Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | 著者 | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | 登録日 | 2018-03-23 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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6QQN
| Tubulin-TH588 complex | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Patterson, J.C, Joughin, B.A, Prota, A.E, Muehlethaler, T, Jonas, O.H, Whitman, M.A, Varmeh, S, Chen, S, Balk, S.P, Steinmetz, M.O, Lauffenburger, D.A, Yaffe, M.B. | 登録日 | 2019-02-18 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | VISAGE Reveals a Targetable Mitotic Spindle Vulnerability in Cancer Cells. Cell Syst, 9, 2019
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6QTN
| Tubulin-cyclostreptin complex | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Balaguer, F.d.A, Muehlethaler, T, Estevez-Gallego, J, Calvo, E, Gimenez-Abian, J.F, Risinger, A.L, Sorensen, E.J, Vanderwal, C.D, Altmann, K.-H, Mooberry, S.L, Steinmetz, M.O, Oliva, M.A, Prota, A.E, Diaz, J.F. | 登録日 | 2019-02-25 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of the Cyclostreptin-Tubulin Adduct: Implications for Tubulin Activation by Taxane-Site Ligands. Int J Mol Sci, 20, 2019
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6SES
| Tubulin-B2 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Guo, B, Rodriguez-Gabin, A, Prota, A.E, Muehlethaler, T, Zhang, N, Ye, K, Steinmetz, M.O, Band Horwitz, S, Smith III, A.B, McDaid, H.M. | 登録日 | 2019-07-30 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Refinement of the Tubulin Ligand (+)-Discodermolide to Attenuate Chemotherapy-Mediated Senescence. Mol.Pharmacol., 98, 2020
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8BDG
| Tubulin-taxane-2b complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | 登録日 | 2022-10-19 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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8BDF
| Tubulin-taxane-2a complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | 登録日 | 2022-10-19 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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8BDE
| Tubulin-baccatin III complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | 登録日 | 2022-10-19 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | 主引用文献 | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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7Z2P
| Tubulin-nocodazole complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Prota, A.E, Muehlethaler, T, Cavalli, A, Steinmetz, M.O. | 登録日 | 2022-02-28 | 公開日 | 2022-08-31 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Novel fragment-derived colchicine-site binders as microtubule-destabilizing agents. Eur.J.Med.Chem., 241, 2022
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7YYW
| Molecular snapshots of drug release from tubulin: 10 nanoseconds after photoactivation. | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ5
| Molecular snapshots of drug release from tubulin: 100 milliseconds (steady state) | 分子名称: | CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ2
| Molecular snapshots of drug release from tubulin: 10 milliseconds after photoactivation. | 分子名称: | Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YYV
| Molecular snapshots of drug release from tubulin: 1 nanosecond after photoactivation. | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YYZ
| Molecular snapshots of drug release from tubulin: 10 microseconds after photoactivation. | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ1
| Molecular snapshots of drug release from tubulin: 1 millisecond after photoactivation. | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ6
| Molecular snapshots of drug release from tubulin: Dark (steady state) | 分子名称: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YYX
| Molecular snapshots of drug release from tubulin: 100 nanoseconds after photoactivation. | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ0
| Molecular snapshots of drug release from tubulin: 100 microseconds after photoactivation. | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YZ3
| Molecular snapshots of drug release from tubulin: Apo state | 分子名称: | CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YYQ
| Molecular snapshots of drug release from tubulin: Dark state | 分子名称: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YYY
| Molecular snapshots of drug release from tubulin: 1 microsecond after photoactivation | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Weinert, T, Standfuss, J. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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5MUC
| Crystal structure of the FimH lectin domain in complex with 1,5-Anhydromannitol | 分子名称: | 1-deoxy-alpha-D-mannopyranose, Protein FimH | 著者 | Jakob, R.P, Rabbani, S, Ernst, B, Maier, T. | 登録日 | 2017-01-13 | 公開日 | 2018-02-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | KinITC-One Method Supports both Thermodynamic and Kinetic SARs as Exemplified on FimH Antagonists. Chemistry, 24, 2018
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5L4V
| Crystal structure of FimH lectin domain in complex with 3-Deoxy-Heptylmannoside | 分子名称: | Protein FimH, heptyl 3-deoxy-alpha-D-mannopyranoside | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, T. | 登録日 | 2016-05-26 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible To Be Published
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5L4W
| Crystal structure of FimH lectin domain in complex with 3-Fluoro-Heptylmannoside | 分子名称: | Protein FimH, heptyl 3-fluoro-alpha-D-mannopyranoside | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | 登録日 | 2016-05-26 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible To Be Published
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5L4X
| Crystal structure of FimH lectin domain in complex with 4-Deoxy-Heptylmannoside | 分子名称: | Protein FimH, heptyl 4-deoxy-4-deoxy-alpha-D-mannopyranoside | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | 登録日 | 2016-05-26 | 公開日 | 2017-06-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible To Be Published
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