5AR1
| Crystal structure of Cdc11 from Saccharomyces cerevisiae | 分子名称: | CELL DIVISION CONTROL PROTEIN 11 | 著者 | Brausemann, A, Gerhardt, S, Schott, A.K, Einsle, O, Grosse-Berkenbusch, A, Johnsson, N, Gronemeyer, T. | 登録日 | 2015-09-23 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Crystal Structure of Cdc11, a Septin Subunit from Saccharomyces Cerevisiae. J.Struct.Biol., 193, 2016
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5D7O
| Crystal structure of Sirt2-ADPR at an improved resolution | 分子名称: | NAD-dependent protein deacetylase sirtuin-2, TRIETHYLENE GLYCOL, ZINC ION, ... | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | 登録日 | 2015-08-14 | 公開日 | 2015-12-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking. Acta Crystallogr.,Sect.F, 71, 2015
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5D7N
| Crystal structure of human Sirt3 at an improved resolution | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ... | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | 登録日 | 2015-08-14 | 公開日 | 2015-12-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking. Acta Crystallogr.,Sect.F, 71, 2015
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5D7P
| Crystal structure of human Sirt2 in complex with ADPR and EX-243 | 分子名称: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | 登録日 | 2015-08-14 | 公開日 | 2015-12-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking. Acta Crystallogr.,Sect.F, 71, 2015
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5D7Q
| Crystal structure of human Sirt2 in complex with ADPR and CHIC35 | 分子名称: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | 登録日 | 2015-08-14 | 公開日 | 2015-12-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking. Acta Crystallogr.,Sect.F, 71, 2015
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5DY4
| Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+ | 分子名称: | N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | 登録日 | 2015-09-24 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study. J.Med.Chem., 59, 2016
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5DY5
| Crystal structure of human Sirt2 in complex with a SirReal probe fragment | 分子名称: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | 登録日 | 2015-09-24 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-Based Development of an Affinity Probe for Sirtuin 2. Angew.Chem.Int.Ed.Engl., 55, 2016
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4JP4
| Mmp13 in complex with a reverse hydroxamate Zn-binder | 分子名称: | CALCIUM ION, Collagenase 3, N-[(2S)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-N-hydroxyformamide, ... | 著者 | Gerhardt, S, Hargreaves, D. | 登録日 | 2013-03-19 | 公開日 | 2014-03-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Hydantoin based inhibitors of MMP13--discovery of AZD6605. Bioorg.Med.Chem.Lett., 23, 2013
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4JPA
| Mmp13 in complex with a piperazine hydantoin ligand | 分子名称: | 3-[({2-[4-({[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile, CALCIUM ION, Collagenase 3, ... | 著者 | Gerhardt, S, Hargreaves, D. | 登録日 | 2013-03-19 | 公開日 | 2014-03-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Hydantoin based inhibitors of MMP13--discovery of AZD6605. Bioorg.Med.Chem.Lett., 23, 2013
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3HWN
| CATHEPSIN L with AZ13010160 | 分子名称: | Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide | 著者 | Kenny, P, Morley, A. | 登録日 | 2009-06-18 | 公開日 | 2009-09-15 | 最終更新日 | 2021-10-13 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Design of selective Cathepsin inhibitors Bioorg.Med.Chem.Lett., 19, 2009
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6R7P
| Crystal structure of oxidized Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M | 分子名称: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Wohlwend, D, Gnandt, E, Friedrich, T. | 登録日 | 2019-03-29 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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5NRW
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5NU3
| Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM-CBP | 分子名称: | (R,R)-2,3-BUTANEDIOL, CREB-binding protein, SULFATE ION, ... | 著者 | Huegle, M, Wohlwend, D. | 登録日 | 2017-04-28 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew. Chem. Int. Ed. Engl., 56, 2017
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5NU5
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5LLF
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5LPJ
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5LPK
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5LPL
| Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c | 分子名称: | CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide | 著者 | Wohlwend, D, Huegle, M. | 登録日 | 2016-08-13 | 公開日 | 2017-08-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew. Chem. Int. Ed. Engl., 56, 2017
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5LLB
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5LL0
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4LYI
| Crystal Structure of apo-BRD4(1) | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ... | 著者 | Wohlwend, D. | 登録日 | 2013-07-31 | 公開日 | 2014-01-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.3 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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5D3J
| First bromodomain of BRD4 bound to inhibitor XD33 | 分子名称: | 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-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 (1.7 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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5D3R
| First bromodomain of BRD4 bound to inhibitor XD42 | 分子名称: | 4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-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 (2.2 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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