5R4P
| PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with NM450-1 | 分子名称: | (5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ... | 著者 | Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R. | 登録日 | 2020-02-27 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5R4Q
| PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with NM466-1 | 分子名称: | (3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ... | 著者 | Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R. | 登録日 | 2020-02-27 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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6Y6O
| Structure of mature activin A with small molecule 42 | 分子名称: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | 著者 | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | 登録日 | 2020-02-26 | 公開日 | 2021-02-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion Chem Sci, 11, 2020
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6Y6N
| Structure of mature activin A with small molecule 2 | 分子名称: | (3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | 著者 | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | 登録日 | 2020-02-26 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion Chem Sci, 11, 2020
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5NFU
| The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LHSpTA peptide | 分子名称: | Ac-LEU-HIS-SER-(TPO)-ALA, Serine/threonine-protein kinase PLK1 | 著者 | Kunciw, D.L, Rossmann, M, De Fusco, C, Spring, D.R, Hyvonen, M. | 登録日 | 2017-03-16 | 公開日 | 2018-05-16 | 最終更新日 | 2023-03-08 | 実験手法 | X-RAY DIFFRACTION (1.809 Å) | 主引用文献 | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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5NJE
| The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene. | 分子名称: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | 著者 | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | 登録日 | 2017-03-28 | 公開日 | 2018-05-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.978 Å) | 主引用文献 | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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5NN1
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5NMM
| The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene. | 分子名称: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | 著者 | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | 登録日 | 2017-04-06 | 公開日 | 2018-02-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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5K9S
| Importin-alpha in complex with HNF1-beta peptide | 分子名称: | HNF1 beta A splice variant 2, Importin subunit alpha-1 | 著者 | Wiedmann, M.M, Aibara, S, Spring, D.R, Stewart, M, Brenton, J. | 登録日 | 2016-06-01 | 公開日 | 2016-11-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Importin-alpha in complex with HNF1-beta peptide To Be Published
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5AFG
| Structure of the Stapled Peptide Bound to Mdm2 | 分子名称: | 1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE, E3 UBIQUITIN-PROTEIN LIGASE MDM2, STAPLED PEPTIDE | 著者 | Lau, Y.H, Wu, Y, Rossmann, M, de Andrade, P, Tan, Y.S, McKenzie, G.J, Venkitaraman, A.R, Hyvonen, M, Spring, D.R. | 登録日 | 2015-01-22 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Double Strain-Promoted Macrocyclization for the Rapid Selection of Cell-Active Stapled Peptides. Angew.Chem.Int.Ed.Engl., 54, 2015
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5NEI
| The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107 | 分子名称: | 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1 | 著者 | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | 登録日 | 2017-03-10 | 公開日 | 2018-02-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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5NN2
| The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490 | 分子名称: | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid, Serine/threonine-protein kinase PLK1 | 著者 | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | 登録日 | 2017-04-07 | 公開日 | 2018-02-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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5R4T
| PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with SK-430 | 分子名称: | (5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ... | 著者 | Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R. | 登録日 | 2020-02-27 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5R4U
| PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-43 | 分子名称: | (5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ... | 著者 | Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R. | 登録日 | 2020-02-27 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5R4R
| PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-42 | 分子名称: | (5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ... | 著者 | Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R. | 登録日 | 2020-02-27 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5R4S
| PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-45 | 分子名称: | (4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ... | 著者 | Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R. | 登録日 | 2020-02-27 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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6H22
| Crystal structure of Mdm2 bound to a stapled peptide | 分子名称: | 12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium, E3 ubiquitin-protein ligase Mdm2, Stapled peptide | 著者 | Wang, X, Sharma, K, Spring, D.R, Hyvonen, M. | 登録日 | 2018-07-12 | 公開日 | 2019-07-31 | 最終更新日 | 2019-09-11 | 実験手法 | X-RAY DIFFRACTION (2.006 Å) | 主引用文献 | Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry. Org.Biomol.Chem., 17, 2019
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5DRD
| Aurora A Kinase in Complex with ATP in Space Group P6122 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-15 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DT3
| Aurora A Kinase in Complex with ATP in Space Group P6122 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-17 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DNR
| Aurora A Kinase in complex with ATP in space group P41212 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | 登録日 | 2015-09-10 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DR6
| Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-15 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.534 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DOS
| Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-11 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DR9
| Aurora A Kinase in Complex with AA29 and JNJ-7706621 in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-15 | 公開日 | 2016-07-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DPV
| Aurora A Kinase in Complex with AA35 and JNJ-7706621 in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-14 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.285 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DT0
| Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122 | 分子名称: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-17 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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