1O6E
| Epstein-Barr virus protease | 分子名称: | CAPSID PROTEIN P40, PHOSPHORYLISOPROPANE | 著者 | Buisson, M, Hernandez, J, Lascoux, D, Schoehn, G, Forest, E, Arlaud, G, Seigneurin, J, Ruigrok, R.W.H, Burmeister, W.P. | 登録日 | 2002-09-13 | 公開日 | 2002-11-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Crystal Structure of the Epstein-Barr Virus Protease Shows Rearrangement of the Processed C Terminus J.Mol.Biol., 324, 2002
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2W4B
| Epstein-Barr virus alkaline nuclease D203S mutant | 分子名称: | ALKALINE EXONUCLEASE | 著者 | Buisson, M, Geoui, T, Flot, D, Tarbouriech, N, Burmeister, W.P. | 登録日 | 2008-11-24 | 公開日 | 2009-06-30 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | A Bridge Crosses the Active Site Canyon of the Epstein-Barr Virus Nuclease with DNase and Rnase Activity. J.Mol.Biol., 391, 2009
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2W45
| Epstein-Barr virus alkaline nuclease | 分子名称: | ALKALINE EXONUCLEASE | 著者 | Buisson, M, Geoui, T, Flot, D, Tarbouriech, N, Burmeister, W.P. | 登録日 | 2008-11-21 | 公開日 | 2009-06-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A Bridge Crosses the Active Site Canyon of the Epstein-Barr Virus Nuclease with DNase and Rnase Activity. J.Mol.Biol., 391, 2009
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3D15
| Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314] | 分子名称: | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea, serine/threonine kinase 6 | 著者 | Elling, R.A, Bui, M, Allen, D.A, Oslob, J.D, Romanowski, M.J. | 登録日 | 2008-05-04 | 公開日 | 2009-05-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of a potent and selective aurora kinase inhibitor. Bioorg.Med.Chem.Lett., 18, 2008
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2WE3
| EBV dUTPase inactive mutant deleted of motif V | 分子名称: | DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Freeman, L, Buisson, M, Tarbouriech, N, Burmeister, W.P. | 登録日 | 2009-03-27 | 公開日 | 2009-07-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Flexible Motif V of Epstein-Barr Virus Deoxyuridine 5'-Triphosphate Pyrophosphatase is Essential for Catalysis. J.Biol.Chem., 284, 2009
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2WE2
| EBV dUTPase double mutant Gly78Asp-Asp131Ser with dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION | 著者 | Freeman, L, Buisson, M, Tarbouriech, N, Burmeister, W.P. | 登録日 | 2009-03-27 | 公開日 | 2009-07-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The Flexible Motif V of Epstein-Barr Virus Deoxyuridine 5'-Triphosphate Pyrophosphatase is Essential for Catalysis. J.Biol.Chem., 284, 2009
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2WE1
| EBV dUTPase mutant Asp131Asn with bound dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION | 著者 | Freeman, L, Buisson, M, Tarbouriech, N, Burmeister, W.P. | 登録日 | 2009-03-27 | 公開日 | 2009-07-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Flexible Motif V of Epstein-Barr Virus Deoxyuridine 5'-Triphosphate Pyrophosphatase is Essential for Catalysis. J.Biol.Chem., 284, 2009
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2WE0
| EBV dUTPase mutant Cys4Ser | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, MALATE LIKE INTERMEDIATE, ... | 著者 | Freeman, L, Buisson, M, Tarbouriech, N, Burmeister, W.P. | 登録日 | 2009-03-27 | 公開日 | 2009-07-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | The Flexible Motif V of Epstein-Barr Virus Deoxyuridine 5'-Triphosphate Pyrophosphatase is Essential for Catalysis. J.Biol.Chem., 284, 2009
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4PB6
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2J8X
| Epstein-Barr virus uracil-DNA glycosylase in complex with Ugi from PBS-2 | 分子名称: | URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR, UREA | 著者 | Geoui, T, Buisson, M, Tarbouriech, N, Burmeister, W.P. | 登録日 | 2006-10-31 | 公開日 | 2006-12-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | New Insights on the Role of the Gamma-Herpesvirus Uracil-DNA Glycosylase Leucine Loop Revealed by the Structure of the Epstein-Barr Virus Enzyme in Complex with an Inhibitor Protein. J.Mol.Biol., 366, 2007
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2BT1
| Epstein Barr Virus dUTPase in complex with a,b-imino dUTP | 分子名称: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, MAGNESIUM ION | 著者 | Tarbouriech, N, Buisson, M, Seigneurin, J.-M, Cusack, S, Burmeister, W.P. | 登録日 | 2005-05-24 | 公開日 | 2005-09-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The Monomeric Dutpase from Epstein-Barr Virus Mimics Trimeric Dutpases Structure, 13, 2005
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2BSY
| Epstein Barr Virus dUTPase | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION | 著者 | Tarbouriech, N, Buisson, M, Seigneurin, J.-M, Cusack, S, Burmeister, W.P. | 登録日 | 2005-05-24 | 公開日 | 2005-09-15 | 最終更新日 | 2023-03-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The Monomeric Dutpase from Epstein-Barr Virus Mimics Trimeric Dutpases Structure, 13, 2005
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5KAE
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7N4S
| Bruton's tyrosine kinase in complex with compound 65 | 分子名称: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-06-04 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7N4R
| Bruton's tyrosine kinase in complex with compound 21 | 分子名称: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-06-04 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7N4Q
| Bruton's tyrosine kinase in complex with compound 45 | 分子名称: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-06-04 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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3D14
| Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea | 分子名称: | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 | 著者 | Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J. | 登録日 | 2008-05-04 | 公開日 | 2008-08-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of a potent and selective aurora kinase inhibitor. Bioorg.Med.Chem.Lett., 18, 2008
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6NZM
| Brutons tyrosine kinase in complex with compound 50. | 分子名称: | 1,2-ETHANEDIOL, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, Tyrosine-protein kinase BTK | 著者 | Marcotte, D.J. | 登録日 | 2019-02-14 | 公開日 | 2019-06-12 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens. Bioorg.Med.Chem., 27, 2019
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6VN2
| USP7 IN COMPLEX WITH LIGAND COMPOUND 18 | 分子名称: | 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6VN4
| USP7 IN COMPLEX WITH LIGAND COMPOUND 1 | 分子名称: | 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6VN5
| USP7 IN COMPLEX WITH LIGAND COMPOUND 7 | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2020-06-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6VN3
| USP7 IN COMPLEX WITH LIGAND COMPOUND 23 | 分子名称: | 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6VN6
| USP7 IN COMPLEX WITH LIGAND COMPOUND 14 | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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3DBE
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3DBD
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