6Y7J
| Structure of the BRD9 bromodomain and compound 15 | 分子名称: | 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone, ACETATE ION, Bromodomain-containing protein 9, ... | 著者 | Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M. | 登録日 | 2020-03-01 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure of the BRD9 bromodomain To Be Published
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6Y7K
| Structure of the BRD9 bromodomain and compound 27 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 9, SODIUM ION, ... | 著者 | Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M. | 登録日 | 2020-03-01 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure of the BRD9 bromodomain To Be Published
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6Z36
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ... | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2020-05-19 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 To Be Published
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3ZW5
| Crystal structure of the human Glyoxalase domain-containing protein 5 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYOXALASE DOMAIN-CONTAINING PROTEIN 5, ... | 著者 | Muniz, J.R.C, Kiyani, W, Froese, S, Vollmar, M, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Yue, W.W. | 登録日 | 2011-07-28 | 公開日 | 2011-08-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structure of the Human Glyoxalase Domain-Containing Protein 5 To be Published
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3ZI1
| Crystal structure of human glyoxalase domain-containing protein 4 (GLOD4) | 分子名称: | 1,2-ETHANEDIOL, GLYOXALASE DOMAIN-CONTAINING PROTEIN 4 | 著者 | Oberholzer, A, Kiyani, W, Shrestha, L, Vollmar, M, Krojer, T, Froese, D.S, Williams, E, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W. | 登録日 | 2012-12-30 | 公開日 | 2013-01-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of Human Glyoxalase Domain- Containing Protein 4 (Glod4) To be Published
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3ZWF
| Crystal structure of Human tRNase Z, short form (ELAC1). | 分子名称: | 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ... | 著者 | Allerston, C.K, Krojer, T, Berridge, G, Burgess-Brown, N, Chaikuad, A, Chalk, R, Elkins, J.M, Gileadi, C, Latwiel, S.V.A, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O. | 登録日 | 2011-07-29 | 公開日 | 2011-08-10 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure of Human Trnase Z, Short Form (Elac1). To be Published
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3ZKJ
| Crystal Structure of Ankyrin Repeat and Socs Box-Containing Protein 9 (Asb9) in Complex with Elonginb and Elonginc | 分子名称: | 1,2-ETHANEDIOL, ANKYRIN REPEAT AND SOCS BOX PROTEIN 9, CHLORIDE ION, ... | 著者 | Muniz, J.R.C, Guo, K, Zhang, Y, Ayinampudi, V, Savitsky, P, Keates, T, Filippakopoulos, P, Vollmar, M, Yue, W.W, Krojer, T, Ugochukwu, E, von Delft, F, Knapp, S, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2013-01-23 | 公開日 | 2013-01-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Molecular Architecture of the Ankyrin Socs Box Family of Cul5-Dependent E3 Ubiquitin Ligases J.Mol.Biol., 425, 2013
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3ZDQ
| STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (NUCLEOTIDE-FREE FORM) | 分子名称: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, MITOCHONDRIAL, CARDIOLIPIN, ... | 著者 | Pike, A.C.W, Shintre, C.A, Krojer, T, von Delft, F, Vollmar, M, Mukhopadhyay, S, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Carpenter, E.P. | 登録日 | 2012-11-30 | 公開日 | 2013-01-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZYW
| Crystal structure of the first glutaredoxin domain of human glutaredoxin 3 (GLRX3) | 分子名称: | 1,2-ETHANEDIOL, GLUTAREDOXIN-3 | 著者 | Vollmar, M, Johansson, C, Cocking, R, Krojer, T, Muniz, J.R.C, Kavanagh, K.L, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | 登録日 | 2011-08-29 | 公開日 | 2012-02-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Crystal Structure of the First Glutaredoxin Domain of Human Glutaredoxin 3 (Glrx3) To be Published
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7A21
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type I, ... | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2020-08-14 | 公開日 | 2020-09-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2153 To Be Published
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6ZU8
| Crystal structure of human Brachyury G177D variant in complex with Afatinib | 分子名称: | Brachyury protein, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide, ZINC ION | 著者 | Newman, J.A, Gavard, A.E, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2020-07-21 | 公開日 | 2020-08-05 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of human Brachyury G177D variant in complex with Afatinib To Be Published
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3ZOS
| Structure of the DDR1 kinase domain in complex with ponatinib | 分子名称: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | 著者 | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Bradley, A, Coutandin, D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2013-02-22 | 公開日 | 2013-05-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors J.Mol.Biol., 426, 2014
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3ZON
| Human TYK2 pseudokinase domain bound to a kinase inhibitor | 分子名称: | 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2 | 著者 | Elkins, J.M, Wang, J, Krojer, T, Savitsky, P, Chalk, R, Daga, N, Salah, E, Berridge, G, Picaud, S, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | 登録日 | 2013-02-22 | 公開日 | 2013-04-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Human Tyk2 Pseudokinase Domain Bound to a Kinase Inhibitor To be Published
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7AEG
| SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | 著者 | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | 登録日 | 2020-09-17 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
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7AEH
| SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | 分子名称: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | 著者 | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | 登録日 | 2020-09-17 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
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3ZYQ
| Crystal structure of the tandem VHS and FYVE domains of Hepatocyte growth factor-regulated tyrosine kinase substrate (HGS-Hrs) at 1.48 A resolution | 分子名称: | 1,2-ETHANEDIOL, HEPATOCYTE GROWTH FACTOR-REGULATED TYROSINE KINASE SUBSTRATE, SULFATE ION, ... | 著者 | Muniz, J.R.C, Ayinampudi, V, Shrestha, L, Krojer, T, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bullock, A. | 登録日 | 2011-08-24 | 公開日 | 2011-09-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Crystal Structure of the Tandem Vhs and Fyve Domains of Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) at 1.48 A Resolution To be Published
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6ZSL
| Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution | 分子名称: | PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ZINC ION | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Arrowsmith, C.H, von Delft, F, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2020-07-15 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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4A9Z
| CRYSTAL STRUCTURE OF HUMAN P63 TETRAMERIZATION DOMAIN | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, TUMOR PROTEIN 63 | 著者 | Muniz, J.R.C, Coutandin, D, Salah, E, Chaikuad, A, Vollmar, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, von Delft, F, Knapp, S. | 登録日 | 2011-11-30 | 公開日 | 2011-12-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Crystal Structure of Human P63 Tetramerization Domain To be Published
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4A27
| Crystal structure of human synaptic vesicle membrane protein VAT-1 homolog-like protein | 分子名称: | 1,2-ETHANEDIOL, SYNAPTIC VESICLE MEMBRANE PROTEIN VAT-1 HOMOLOG-LIKE | 著者 | Vollmar, M, Shafqat, N, Muniz, J.R.C, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Yue, W.W, Oppermann, U. | 登録日 | 2011-09-22 | 公開日 | 2011-10-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of Human Synaptic Vesicle Membrane Protein Vat-1 Homolog-Like Protein To be Published
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4AAP
| Crystal structure of JMJD5 domain of human Lysine-specific demethylase 8 (KDM8) in complex with N-oxalylglycine (NOG) | 分子名称: | LYSINE-SPECIFIC DEMETHYLASE 8, N-OXALYLGLYCINE, ZINC ION | 著者 | Vollmar, M, Johansson, C, Krojer, T, Canning, P, Allerston, C, Gadhave, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | 登録日 | 2011-12-05 | 公開日 | 2012-02-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure of Jmjd5 Domain of Human Lysine- Specific Demethylase 8 (Kdm8) in Complex with N- Oxalylglycine (Nog) To be Published
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7B6J
| Crystal structure of MurE from E.coli in complex with minifrag succinimide | 分子名称: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase, ... | 著者 | Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-07 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Crystal structure of MurE from E.coli To Be Published
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7B6G
| Crystal structure of MurE from E.coli in complex with Z1675346324 | 分子名称: | DIMETHYL SULFOXIDE, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase, trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol | 著者 | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-07 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.937 Å) | 主引用文献 | Crystal structure of MurE from E.coli To Be Published
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7B6Q
| Crystal structure of MurE from E.coli in complex with Z57299526 | 分子名称: | ISOPROPYL ALCOHOL, N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | 著者 | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-08 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Crystal structure of MurE from E.coli To Be Published
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7B68
| Crystal structure of MurE from E.coli in complex with Z57299526 | 分子名称: | 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide, DIMETHYL SULFOXIDE, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | 著者 | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | 登録日 | 2020-12-07 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Crystal structure of MurE from E.coli To Be Published
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7B6M
| Crystal structure of MurE from E.coli in complex with Z1198948504 | 分子名称: | 1,2-ETHANEDIOL, N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | 著者 | Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC), Structural Genomics Consortium for Research on Gene Expression (SGCGES) | 登録日 | 2020-12-07 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Crystal structure of MurE from E.coli To Be Published
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