5D24
| First bromodomain of BRD4 bound to inhibitor XD26 | 分子名称: | 1,2-ETHANEDIOL, 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Wohlwend, D, Huegle, M, Gerhardt, S. | 登録日 | 2015-08-05 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D3H
| First bromodomain of BRD4 bound to inhibitor XD29 | 分子名称: | Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide | 著者 | Wohlwend, D, Huegle, M, Weitzel, G. | 登録日 | 2015-08-06 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D3N
| First bromodomain of BRD4 bound to inhibitor XD40 | 分子名称: | 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Wohlwend, D, Huegle, M. | 登録日 | 2015-08-06 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D3T
| First bromodomain of BRD4 bound to inhibitor XD47 | 分子名称: | 1,2-ETHANEDIOL, 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... | 著者 | Wohlwend, D, Huegle, M. | 登録日 | 2015-08-06 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D3L
| First bromodomain of BRD4 bound to inhibitor XD35 | 分子名称: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Wohlwend, D, Huegle, M. | 登録日 | 2015-08-06 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D3P
| First bromodomain of BRD4 bound to inhibitor XD41 | 分子名称: | 1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide, Bromodomain-containing protein 4, NICKEL (II) ION | 著者 | Wohlwend, D, Huegle, M. | 登録日 | 2015-08-06 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D26
| First bromodomain of BRD4 bound to inhibitor XD28 | 分子名称: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | 著者 | Wohlwend, D, Huegle, M. | 登録日 | 2015-08-05 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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4DVH
| Crystal structure of Trypanosoma cruzi mitochondrial iron superoxide dismutase | 分子名称: | FE (III) ION, Superoxide dismutase | 著者 | Larrieux, N, Buschiazzo, A. | 登録日 | 2012-02-23 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Structural and Molecular Basis of the Peroxynitrite-mediated Nitration and Inactivation of Trypanosoma cruzi Iron-Superoxide Dismutases (Fe-SODs) A and B: DISPARATE SUSCEPTIBILITIES DUE TO THE REPAIR OF TYR35 RADICAL BY CYS83 IN Fe-SODB THROUGH INTRAMOLECULAR ELECTRON TRANSFER. J.Biol.Chem., 289, 2014
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4LYS
| Crystal Structure of BRD4(1) bound to Colchiceine | 分子名称: | Bromodomain-containing protein 4, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, SODIUM ION | 著者 | Wohlwend, D, Gerhardt, S, Einsle, O. | 登録日 | 2013-07-31 | 公開日 | 2014-01-15 | 最終更新日 | 2014-01-29 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4LYW
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6QZD
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6QZA
| HLA-DR1 with GMF Influenza PB1 Peptide | 分子名称: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ... | 著者 | Greenshields-Watson, A, Rizkallah, P.J. | 登録日 | 2019-03-11 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features. Cell Rep, 32, 2020
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6R0E
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6QZC
| HLA-DR1 with the QAR Peptide | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Greenshields-Watson, A, Rizkallah, P.J. | 登録日 | 2019-03-11 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features. Cell Rep, 32, 2020
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7M7V
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5K4Z
| M. thermoresistible IMPDH in complex with IMP and Compound 6 | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide | 著者 | Pacitto, A, Ascher, D.B, Blundell, T.L. | 登録日 | 2016-05-22 | 公開日 | 2016-10-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis. ACS Infect Dis, 3, 2017
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7R5B
| Crystal structure of BRD4(1) in complex with the inhibitor MPM2 | 分子名称: | (R,R)-2,3-BUTANEDIOL, 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one, Bromodomain-containing protein 4, ... | 著者 | Huegle, M. | 登録日 | 2022-02-10 | 公開日 | 2023-02-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | A novel pan-selective bromodomain inhibitor for epigenetic drug design Eur.J.Med.Chem., 249, 2023
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5K4X
| M. thermoresistible IMPDH in complex with IMP and Compound 1 | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide | 著者 | Pacitto, A, Ascher, D.B, Blundell, T.L. | 登録日 | 2016-05-22 | 公開日 | 2016-10-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis. ACS Infect Dis, 3, 2017
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8CAV
| Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CuvA, MAGNESIUM ION, ... | 著者 | Sigurdsson, A, Martins, B.M, Duettmann, S.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemannter, M, Knittel, C.H, Schnegotyzki, R, Schmid, B, Kosol, S, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | 登録日 | 2023-01-24 | 公開日 | 2023-06-14 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL. Angew.Chem.Int.Ed.Engl., 62, 2023
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8CAR
| Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | 分子名称: | NITRATE ION, PHOSPHATE ION, Serine/threonine protein kinase | 著者 | Martins, B.M, Sigurdsson, A, Duettmann, A.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemander, M, Knittel, C.H, Schegotzki, R, Schmid, B, Kosol, S, Pommerening, L, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | 登録日 | 2023-01-24 | 公開日 | 2023-06-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL. Angew.Chem.Int.Ed.Engl., 62, 2023
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7B1T
| Crystal structure of BRD4(1) in complex with the inhibitor MPM6 | 分子名称: | 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE | 著者 | Huegle, M. | 登録日 | 2020-11-25 | 公開日 | 2022-06-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | A novel pan-selective bromodomain inhibitor for epigenetic drug design. Eur.J.Med.Chem., 249, 2023
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6INL
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6ST5
| crystal structure of LicM2 | 分子名称: | GLYCEROL, LicM2, MAGNESIUM ION, ... | 著者 | Gonsior, M, Mainz, A, Hugelland, M, Kuthning, A, Tietzmann, M, Dobbek, H, Martins, B.M, Sussmuth, R. | 登録日 | 2019-09-10 | 公開日 | 2022-08-10 | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | 主引用文献 | crystal structure of LicM2 To Be Published
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4LZS
| Crystal Structure of BRD4(1) bound to inhibitor XD46 | 分子名称: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | 登録日 | 2013-08-01 | 公開日 | 2014-01-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4LZR
| Crystal Structure of BRD4(1) bound to Colchicine | 分子名称: | Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide | 著者 | Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M. | 登録日 | 2013-08-01 | 公開日 | 2014-01-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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