3COS
| Crystal structure of human class II alcohol dehydrogenase (ADH4) in complex with NAD and Zn | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, Alcohol dehydrogenase 4, ... | 著者 | Kavanagh, K.L, Shafqat, N, Yue, W, von Delft, F, Bishop, S, Roos, A, Murray, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2008-03-29 | 公開日 | 2008-04-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of human class II alcohol dehydrogenase (ADH4) in complex with NAD and Zn. To be Published
|
|
3CP6
| Crystal structure of human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor | 分子名称: | (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthetase, MAGNESIUM ION | 著者 | Pilka, E.S, Dunford, J.E, Guo, K, Pike, A.C.W, von Delft, F, Barnett, B.L, Ebetino, F.H, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Russell, R.G.G, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2008-03-31 | 公開日 | 2008-04-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor. To be Published
|
|
3CY3
| Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V | 分子名称: | (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile, 1,2-ETHANEDIOL, Pimtide peptide, ... | 著者 | Filippakopoulos, P, Bullock, A, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2008-04-25 | 公開日 | 2008-07-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V. To be Published
|
|
6TMP
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.076 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
|
|
6TN0
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
|
|
6TN4
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, Heat shock protein HSP 90-alpha | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.274 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
|
|
6TMZ
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
|
|
6TN2
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, ... | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.768 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
|
|
6TN5
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | CHLORIDE ION, Heat shock protein HSP 90-alpha, ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.165 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
|
|
6TN8
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564 | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, ... | 著者 | Williams, E.P, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2019-12-06 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564 To Be Published
|
|
3ISQ
| Crystal structure of human 4-Hydroxyphenylpyruvate dioxygenase | 分子名称: | 1,2-ETHANEDIOL, 4-hydroxyphenylpyruvate dioxygenase, CHLORIDE ION, ... | 著者 | Pilka, E.S, Shafqat, N, Cocking, R, Bray, J.E, Krojer, T, Pike, A.C.W, von Delft, F, Yue, W.W, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC) | 登録日 | 2009-08-27 | 公開日 | 2009-09-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal structure of human 4-Hydroxyphenylpyruvate dioxygenase to be published
|
|
4Y03
| Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid | 分子名称: | 2-HYDROXYBENZOIC ACID, CITRIC ACID, Protein polybromo-1 | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2015-02-05 | 公開日 | 2015-05-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid To Be Published
|
|
3II7
| Crystal structure of the kelch domain of human KLHL7 | 分子名称: | 1,2-ETHANEDIOL, Kelch-like protein 7 | 著者 | Chaikuad, A, Thangaratnarajah, C, Cooper, C.D.O, Ugochukwu, E, Muniz, J.R.C, Krojer, T, Sethi, R, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2009-07-31 | 公開日 | 2009-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Structural basis for Cul3 protein assembly with the BTB-Kelch family of E3 ubiquitin ligases. J.Biol.Chem., 288, 2013
|
|
4XWX
| Crystal structure of the PTB domain of SHC | 分子名称: | 1,2-ETHANEDIOL, SHC-transforming protein 1, SODIUM ION | 著者 | Chaikuad, A, Tallant, C, Krojer, T, Dixon-Clarke, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2015-01-29 | 公開日 | 2015-02-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Crystal structure of the PTB domain of SHC To Be Published
|
|
3KHF
| The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated serine/threonine-protein kinase 3 | 著者 | Roos, A, Elkins, J, Savitsky, P, Wang, J, Ugochukwu, E, Murray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2009-10-30 | 公開日 | 2009-12-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3) To be Published
|
|
3K2J
| Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) | 分子名称: | CHLORIDE ION, Protein polybromo-1, SULFATE ION | 著者 | Filippakopoulos, P, Picaud, S, Keates, T, Chaikuad, A, Pike, A.C.W, Krojer, T, Sethi, R, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2009-09-30 | 公開日 | 2009-10-13 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) To be Published
|
|
3KVO
| Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2) | 分子名称: | Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Ugochukwu, E, Bhatia, C, Huang, J, Pilka, E, Muniz, J.R.C, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Verdin, E.M, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC) | 登録日 | 2009-11-30 | 公開日 | 2010-03-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2) To be Published
|
|
6T8N
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | 著者 | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2019-10-24 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 To Be Published
|
|
6TMQ
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
|
|
3L50
| The crystal structure of human Glia Maturation Factor, Gamma (GMFG) | 分子名称: | CHLORIDE ION, Glia maturation factor gamma | 著者 | Ugochukwu, E, Pilka, E, Krysztofinska, E, Hapka, E, Krojer, T, Muniz, J, Vollmar, M, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2009-12-21 | 公開日 | 2010-02-02 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The crystal structure of human Glia Maturation Factor, Gamma (GMFG) To be Published
|
|
3HMI
| The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | 分子名称: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Tyrosine-protein kinase ABL2 | 著者 | Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2009-05-29 | 公開日 | 2009-07-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE To be Published
|
|
3I3N
| Crystal structure of the BTB-BACK domains of human KLHL11 | 分子名称: | CHLORIDE ION, Kelch-like protein 11, THIOCYANATE ION | 著者 | Murray, J.W, Cooper, C.D.O, Krojer, T, Mahajan, P, Salah, E, Keates, T, Savitsky, P, Pike, A.C.W, Roos, A, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2009-06-30 | 公開日 | 2009-08-04 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of the BTB-BACK domains of human KLHL11 To be Published
|
|
3L5K
| The crystal structure of human Haloacid Dehalogenase-like Hydrolase Domain containing 1A (HDHD1A) | 分子名称: | CHLORIDE ION, GLYCEROL, Haloacid dehalogenase-like hydrolase domain-containing protein 1A, ... | 著者 | Ugochukwu, E, Guo, K, Picaud, S, Muniz, J, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Yue, W.W, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2009-12-22 | 公開日 | 2010-03-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The crystal structure of human Haloacid Dehalogenase-like Hydrolase Domain containing 1A (HDHD1A) To be Published
|
|
5A1L
| Crystal structure of JmjC domain of human histone demethylase UTY with S21056a | 分子名称: | 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol, FE (II) ION, ... | 著者 | Srikannathasan, V, Gileadi, C, Johansson, C, Krojer, T, Tumber, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | 登録日 | 2015-05-01 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty with S21056A To be Published
|
|
3KVW
| Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand | 分子名称: | (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 著者 | Filippakopoulos, P, Myrianthopoulos, V, Kritsanida, M, Magiatis, P, Skaltsounis, A.L, Soundararajan, M, Krojer, T, Gileadi, O, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2009-11-30 | 公開日 | 2010-01-05 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand To be Published
|
|