4D4M
| human PFKFB3 in complex with a pyrrolopyrimidone compound | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, ... | 著者 | Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J. | 登録日 | 2014-10-29 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods To be Published
|
|
4D4J
| human PFKFB3 in complex with a pyrrolopyrimidone compound | 分子名称: | 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | 著者 | Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J. | 登録日 | 2014-10-29 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods To be Published
|
|
2NZL
| Crystal structure of human hydroxyacid oxidase 1 | 分子名称: | FLAVIN MONONUCLEOTIDE, GLYOXYLIC ACID, Hydroxyacid oxidase 1 | 著者 | Ugochukwu, E, Kavanagh, K, Pilka, E, Berridge, G, Debreczeni, J.E, Papagrigoriou, E, Turnbull, A, Niesen, F, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2006-11-24 | 公開日 | 2006-12-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Crystal structure of human hydroxyacid oxidase 1 To be Published
|
|
2PPI
| Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin | 分子名称: | Gigaxonin | 著者 | Amos, A, Turnbull, A.P, Tickle, J, Keates, T, Bullock, A, Savitsky, P, Burgess-Brown, N, Debreczeni, J.E, Ugochukwu, E, Umeano, C, Pike, A.C.W, Papagrigoriou, E, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2007-04-30 | 公開日 | 2007-05-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin. To be Published
|
|
2ODB
| The crystal structure of human cdc42 in complex with the CRIB domain of human p21-activated kinase 6 (PAK6) | 分子名称: | CHLORIDE ION, Human Cell Division Cycle 42 (CDC42), MAGNESIUM ION, ... | 著者 | Ugochukwu, E, Yang, X, Elkins, J, Soundararajan, M, Pike, A.C.W, Eswaran, J, Burgess, N, Debreczeni, J.E, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Gileadi, O, von Delft, F, Knapp, S, Doyle, D, Structural Genomics Consortium (SGC) | 登録日 | 2006-12-22 | 公開日 | 2007-01-30 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The crystal structure of human cdc42 in complex with the CRIB domain of human p21-activated kinase 6 (PAK6) To be Published
|
|
2OME
| Crystal structure of human CTBP2 dehydrogenase complexed with NAD(H) | 分子名称: | C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Pilka, E.S, Guo, K, Rojkova, A, Debreczeni, J.E, Kavanagh, K.L, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2007-01-22 | 公開日 | 2007-02-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of human CTBP2 dehydrogenase complexed with NAD(H) To be Published
|
|
2CLS
| The crystal structure of the human RND1 GTPase in the active GTP bound state | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RHO-RELATED GTP-BINDING PROTEIN RHO6 | 著者 | Pike, A.C.W, Yang, X, Colebrook, S, Gileadi, O, Sobott, F, Bray, J, Wen Hwa, L, Marsden, B, Zhao, Y, Schoch, G, Elkins, J, Debreczeni, J.E, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D. | 登録日 | 2006-04-28 | 公開日 | 2006-05-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | The Crystal Structure of the Human Rnd1 Gtpase in the Active GTP Bound State To be Published
|
|
2C9Y
| Structure of human adenylate kinase 2 | 分子名称: | 1,2-ETHANEDIOL, ADENYLATE KINASE ISOENZYME 2, MITOCHONDRIAL, ... | 著者 | Bunkoczi, G, Filippakopoulos, P, Debreczeni, J.E, Turnbull, A, Papagrigoriou, E, Savitsky, P, Colebrook, S, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Knapp, S. | 登録日 | 2005-12-15 | 公開日 | 2006-01-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of Human Adenylate Kinase 2 To be Published
|
|
2FVL
| Crystal structure of human 3-alpha hydroxysteroid/dihydrodiol dehydrogenase (AKR1C4) complexed with NADP+ | 分子名称: | Aldo-keto reductase family 1, member C4, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Ugochukwu, E, Smee, C, Guo, K, Lukacik, P, Kavanagh, K, Debreczeni, J.E, von Delft, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2006-01-31 | 公開日 | 2006-02-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of human 3-alpha hydroxysteroid/dihydrodiol dehydrogenase (AKR1C4) complexed with NADP+ To be Published
|
|
2A3K
| Crystal Structure of the Human Protein Tyrosine Phosphatase, PTPN7 (HePTP, Hematopoietic Protein Tyrosine Phosphatase) | 分子名称: | PHOSPHATE ION, protein tyrosine phosphatase, non-receptor type 7, ... | 著者 | Barr, A, Turnbull, A.P, Das, S, Eswaran, J, Debreczeni, J.E, Longmann, E, Smee, C, Burgess, N, Gileadi, O, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2005-06-24 | 公開日 | 2005-07-19 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1. Protein Sci., 15, 2006
|
|
2IZT
| Structure of casein kinase gamma 3 in complex with inhibitor | 分子名称: | CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE | 著者 | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | 登録日 | 2006-07-26 | 公開日 | 2006-08-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inhibitor Binding by Casein Kinases To be Published
|
|
2IWI
| CRYSTAL STRUCTURE OF THE HUMAN PIM2 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1 | 分子名称: | RUTHENIUM-PYRIDOCARBAZOLE-1, SERINE/THREONINE-PROTEIN KINASE PIM-2 | 著者 | Russo, S, Debreczeni, J.E, Amos, A, Bullock, A.N, Fedorov, O, Niesen, F, Sobott, F, Turnbull, A, Pike, A.C.W, Ugochukwu, E, Papagrigoriou, E, Bunkoczi, G, Gorrec, F, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, von Delft, F, Knapp, S. | 登録日 | 2006-06-30 | 公開日 | 2006-08-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor. PLoS ONE, 4, 2009
|
|
2IZS
| Structure of casein kinase gamma 3 in complex with inhibitor | 分子名称: | CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | 登録日 | 2006-07-26 | 公開日 | 2006-08-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Inhibitor Binding by Casein Kinases To be Published
|
|
2IZR
| Structure of casein kinase gamma 3 in complex with inhibitor | 分子名称: | CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | 登録日 | 2006-07-26 | 公開日 | 2006-08-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Inhibitor Binding by Casein Kinases To be Published
|
|
2IZU
| Structure of casein kinase gamma 3 in complex with inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, CASEIN KINASE I ISOFORM GAMMA-3, ... | 著者 | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | 登録日 | 2006-07-26 | 公開日 | 2006-08-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Inhibitor Binding by Casein Kinases To be Published
|
|
5O2T
| Human KRAS in complex with darpin K27 | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ... | 著者 | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | 登録日 | 2017-05-22 | 公開日 | 2017-07-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange. Nat Commun, 8, 2017
|
|
6H46
| Human KRAS in complex with darpin K13 | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | 著者 | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | 登録日 | 2018-07-20 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe. Nat Commun, 10, 2019
|
|
6H47
| Human KRAS in complex with darpin K19 | 分子名称: | GTPase KRas, SULFATE ION, darpin K19 | 著者 | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | 登録日 | 2018-07-20 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe. Nat Commun, 10, 2019
|
|
8BSM
| Human GLS in complex with compound 18 | 分子名称: | 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ... | 著者 | Debreczeni, J.E. | 登録日 | 2022-11-25 | 公開日 | 2023-01-18 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.782 Å) | 主引用文献 | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62, 2019
|
|
8BSK
| Human GLS in complex with compound 3 | 分子名称: | Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ... | 著者 | Debreczeni, J.E. | 登録日 | 2022-11-25 | 公開日 | 2023-01-18 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62, 2019
|
|
8BSL
| Human GLS in complex with compound 12 | 分子名称: | Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide | 著者 | Debreczeni, J.E. | 登録日 | 2022-11-25 | 公開日 | 2023-01-18 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62, 2019
|
|
8BSN
| Human GLS in complex with compound 27 | 分子名称: | (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ... | 著者 | Debreczeni, J.E. | 登録日 | 2022-11-25 | 公開日 | 2023-01-18 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.494 Å) | 主引用文献 | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models. J Med Chem, 62, 2019
|
|
5MLA
| Crystal structure of human RAS in complex with darpin K55 | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ... | 著者 | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | 登録日 | 2016-12-06 | 公開日 | 2017-12-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Inhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS To Be Published
|
|
5MLB
| Crystal structure of human RAS in complex with darpin K27 | 分子名称: | DARPin K27, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | 登録日 | 2016-12-06 | 公開日 | 2017-12-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | INhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS To Be Published
|
|
5O2S
| Human KRAS in complex with darpin K27 | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | 登録日 | 2017-05-22 | 公開日 | 2017-07-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange. Nat Commun, 8, 2017
|
|