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4ZTM
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BU of 4ztm by Molmil
Irak4-inhibitor co-structure
分子名称: 5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one, Interleukin-1 receptor-associated kinase 4
著者Fischmann, T.O.
登録日2015-05-14
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4ZTL
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BU of 4ztl by Molmil
Irak4-inhibitor co-structure
分子名称: (1R,2S,3R,5R)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol, Interleukin-1 receptor-associated kinase 4
著者Fischmann, T.O.
登録日2015-05-14
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4ZTN
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BU of 4ztn by Molmil
Irak4-inhibitor co-structure
分子名称: 5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one, Interleukin-1 receptor-associated kinase 4
著者Fischmann, T.O.
登録日2015-05-14
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
7YYW
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BU of 7yyw by Molmil
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
7YZ5
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BU of 7yz5 by Molmil
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
7YZ2
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BU of 7yz2 by Molmil
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
7YYV
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BU of 7yyv by Molmil
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
7YZ1
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BU of 7yz1 by Molmil
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
7YYZ
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BU of 7yyz by Molmil
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
7YZ6
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BU of 7yz6 by Molmil
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
7YYX
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BU of 7yyx by Molmil
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
7YYY
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BU of 7yyy by Molmil
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
7YZ0
DownloadVisualize
BU of 7yz0 by Molmil
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
7YZ3
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BU of 7yz3 by Molmil
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
7YYQ
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BU of 7yyq by Molmil
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
6P4V
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BU of 6p4v by Molmil
1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2019-05-28
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6WL6
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BU of 6wl6 by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(2R)-1-AMINO-4-METHYLPENTAN-2-YL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
分子名称: 6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2020-04-18
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
8DA3
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BU of 8da3 by Molmil
Coevolved affibody-Z domain pair LL1.c1
分子名称: Affibody LL1.FILF, Immunoglobulin G-binding protein A, MALONATE ION, ...
著者Jude, K.M, Yang, A, Garcia, K.C.
登録日2022-06-13
公開日2023-07-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA9
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BU of 8da9 by Molmil
Coevolved affibody-Z domain pair LL2.c3
分子名称: Affibody LL2.FIIV, GLYCEROL, Immunoglobulin G-binding protein A, ...
著者Jude, K.M, Yang, A, Garcia, K.C.
登録日2022-06-13
公開日2023-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA5
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BU of 8da5 by Molmil
Coevolved affibody-Z domain pair LL1.c4
分子名称: GLYCEROL, Immunoglobulin G-binding protein A, affibody LL1.FIVM
著者Jude, K.M, Yang, A, Garcia, K.C.
登録日2022-06-13
公開日2023-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA4
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BU of 8da4 by Molmil
Coevolved affibody-Z domain pair LL1.c2
分子名称: Affibody LL1.FIVM, Immunoglobulin G-binding protein A, SULFATE ION, ...
著者Jude, K.M, Yang, A, Garcia, K.C.
登録日2022-06-13
公開日2023-07-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA8
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BU of 8da8 by Molmil
Coevolved affibody-Z domain pair LL2.c1
分子名称: Affibody LL2.FIIK, GLYCEROL, Immunoglobulin G-binding protein A
著者Jude, K.M, Yang, A, Garcia, K.C.
登録日2022-06-13
公開日2023-07-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA6
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BU of 8da6 by Molmil
Coevolved affibody-Z domain pair LL1.c5
分子名称: Affibody LL1.FIIM, Immunoglobulin G-binding protein A
著者Jude, K.M, Yang, A, Garcia, K.C.
登録日2022-06-13
公開日2023-07-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DA7
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BU of 8da7 by Molmil
Coevolved affibody-Z domain pair LL1.c6
分子名称: Immunoglobulin G-binding protein A, MALONATE ION, affibody LL1.FIFV
著者Jude, K.M, Yang, A, Garcia, K.C.
登録日2022-06-13
公開日2023-07-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
8DAC
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BU of 8dac by Molmil
Coevolved affibody-Z domain pair LL2.c22
分子名称: Affibody LL2.FILV, GLYCEROL, Immunoglobulin G-binding protein A
著者Jude, K.M, Yang, A, Garcia, K.C.
登録日2022-06-13
公開日2023-07-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023

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