6UW6
 
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6UW9
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6VXN
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6VXM
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3ZRY
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7AY6
 | | Crystal structure of the PDE4D catalytic domain in complex with GEBR-41b | | 分子名称: | 1,2-ETHANEDIOL, 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone, MAGNESIUM ION, ... | | 著者 | Torretta, A, Abbate, S, Parisini, E. | | 登録日 | 2020-11-11 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
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6P9W
 | | Poliovirus (Type 1 Mahoney), receptor catalysed 135S particle map | | 分子名称: | VP1, VP2, VP3 | | 著者 | Hogle, J.M, Filman, D.J, Shah, P.N.M. | | 登録日 | 2019-06-10 | | 公開日 | 2020-06-10 | | 最終更新日 | 2020-10-21 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate.
Plos Pathog., 16, 2020
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6P9O
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6PSZ
 | | Poliovirus (Type 1 Mahoney), heat-catalysed 135S particle | | 分子名称: | VP1, VP2, VP3 | | 著者 | Hogle, J.M, Filman, D.J, Shah, P.N.M. | | 登録日 | 2019-07-14 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate.
Plos Pathog., 16, 2020
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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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5WHR
 | | Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate. | | 分子名称: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A. | | 登録日 | 2017-07-18 | | 公開日 | 2017-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.
J. Med. Chem., 60, 2017
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8FJZ
 | | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | | 分子名称: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | | 著者 | McTigue, M, Johnson, E, Cronin, C. | | 登録日 | 2022-12-20 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
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8FP3
 | | PKCeta kinase domain in complex with compound 11 | | 分子名称: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type | | 著者 | Johnson, E. | | 登録日 | 2023-01-03 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-04-26 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
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8FH4
 | | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile | | 分子名称: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | | 著者 | McTigue, M, Johnson, E, Cronin, C. | | 登録日 | 2022-12-13 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.827 Å) | | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
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