6S9I
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6S8O
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![BU of 6s8o by Molmil](/molmil-images/mine/6s8o) | Human Brr2 Helicase Region M641C/A1582C | 分子名称: | U5 small nuclear ribonucleoprotein 200 kDa helicase | 著者 | Vester, K, Santos, K.F, Wahl, M.C. | 登録日 | 2019-07-10 | 公開日 | 2020-01-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.172 Å) | 主引用文献 | The inactive C-terminal cassette of the dual-cassette RNA helicase BRR2 both stimulates and inhibits the activity of the N-terminal helicase unit. J.Biol.Chem., 295, 2020
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8BCH
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8BC9
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![BU of 8bc9 by Molmil](/molmil-images/mine/8bc9) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 24 | 分子名称: | 1,2-ETHANEDIOL, N-hydroxybenzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ... | 著者 | Vester, K, Loll, B, Wahl, M.C. | 登録日 | 2022-10-15 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. Acta Crystallogr D Struct Biol, 79, 2023
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8BCC
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![BU of 8bcc by Molmil](/molmil-images/mine/8bcc) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 39 | 分子名称: | 1,2-ETHANEDIOL, 3-oxidanylbenzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ... | 著者 | Vester, K, Loll, B, Wahl, M.C. | 登録日 | 2022-10-15 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. Acta Crystallogr D Struct Biol, 79, 2023
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8BCB
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![BU of 8bcb by Molmil](/molmil-images/mine/8bcb) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 34 | 分子名称: | 1,2-ETHANEDIOL, Pre-mRNA-processing-splicing factor 8, SULFANILAMIDE, ... | 著者 | Vester, K, Loll, B, Wahl, M.C. | 登録日 | 2022-10-15 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. Acta Crystallogr D Struct Biol, 79, 2023
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8BCA
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![BU of 8bca by Molmil](/molmil-images/mine/8bca) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 26 | 分子名称: | 1,2-ETHANEDIOL, 3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide, GLYCEROL, ... | 著者 | Vester, K, Loll, B, Wahl, M.C. | 登録日 | 2022-10-15 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. Acta Crystallogr D Struct Biol, 79, 2023
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8BCE
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![BU of 8bce by Molmil](/molmil-images/mine/8bce) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 76 | 分子名称: | 1,2-ETHANEDIOL, N-methoxybenzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ... | 著者 | Vester, K, Loll, B, Wahl, M.C. | 登録日 | 2022-10-15 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. Acta Crystallogr D Struct Biol, 79, 2023
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8BCG
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![BU of 8bcg by Molmil](/molmil-images/mine/8bcg) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 86 | 分子名称: | 1,2-ETHANEDIOL, 4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ... | 著者 | Vester, K, Loll, B, Wahl, M.C. | 登録日 | 2022-10-15 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. Acta Crystallogr D Struct Biol, 79, 2023
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8BCF
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![BU of 8bcf by Molmil](/molmil-images/mine/8bcf) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 78 | 分子名称: | 1,2-ETHANEDIOL, Pre-mRNA-processing-splicing factor 8, U5 small nuclear ribonucleoprotein 200 kDa helicase, ... | 著者 | Vester, K, Loll, B, Wahl, M.C. | 登録日 | 2022-10-15 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. Acta Crystallogr D Struct Biol, 79, 2023
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8BC8
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![BU of 8bc8 by Molmil](/molmil-images/mine/8bc8) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 18 | 分子名称: | 1,2-ETHANEDIOL, 3-azanyl-4-oxidanyl-benzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ... | 著者 | Vester, K, Loll, B, Wahl, M.C. | 登録日 | 2022-10-15 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. Acta Crystallogr D Struct Biol, 79, 2023
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8BCD
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6S8Q
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7BDK
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![BU of 7bdk by Molmil](/molmil-images/mine/7bdk) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8, ... | 著者 | Vester, K, Santos, K.F, Absmeier, E, Wahl, M.C. | 登録日 | 2020-12-21 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2. J.Biol.Chem., 297, 2021
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7BDL
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![BU of 7bdl by Molmil](/molmil-images/mine/7bdl) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and mant-ADP | 分子名称: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8, U5 small nuclear ribonucleoprotein 200 kDa helicase, ... | 著者 | Vester, K, Santos, K.F, Absmeier, E, Wahl, M.C. | 登録日 | 2020-12-21 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2. J.Biol.Chem., 297, 2021
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7BDJ
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![BU of 7bdj by Molmil](/molmil-images/mine/7bdj) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and mant-ATPgammaS | 分子名称: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8, U5 small nuclear ribonucleoprotein 200 kDa helicase, ... | 著者 | Vester, K, Santos, K.F, Absmeier, E, Wahl, M.C. | 登録日 | 2020-12-21 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2. J.Biol.Chem., 297, 2021
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7BDI
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![BU of 7bdi by Molmil](/molmil-images/mine/7bdi) | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and ATPgammaS | 分子名称: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Pre-mRNA-processing-splicing factor 8, ... | 著者 | Vester, K, Santos, K.F, Absmeier, E, Wahl, M.C. | 登録日 | 2020-12-21 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2. J.Biol.Chem., 297, 2021
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8Q71
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![BU of 8q71 by Molmil](/molmil-images/mine/8q71) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67 | 分子名称: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P. | 登録日 | 2023-08-15 | 公開日 | 2023-12-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.322 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability. J.Med.Chem., 66, 2023
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8B56
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![BU of 8b56 by Molmil](/molmil-images/mine/8b56) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9 | 分子名称: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ... | 著者 | Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P. | 登録日 | 2022-09-21 | 公開日 | 2023-08-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.823 Å) | 主引用文献 | Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors. J.Med.Chem., 65, 2022
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8ACL
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![BU of 8acl by Molmil](/molmil-images/mine/8acl) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 | 分子名称: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | 登録日 | 2022-07-05 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. J.Med.Chem., 65, 2022
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8ACD
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![BU of 8acd by Molmil](/molmil-images/mine/8acd) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | 分子名称: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | 登録日 | 2022-07-05 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. J.Med.Chem., 65, 2022
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8RJY
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![BU of 8rjy by Molmil](/molmil-images/mine/8rjy) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3899 (compound 58 in publication) | 分子名称: | 3C-like proteinase nsp5, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide | 著者 | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | 登録日 | 2023-12-22 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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8RJV
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![BU of 8rjv by Molmil](/molmil-images/mine/8rjv) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication) | 分子名称: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5 | 著者 | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | 登録日 | 2023-12-21 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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8RJZ
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![BU of 8rjz by Molmil](/molmil-images/mine/8rjz) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication) | 分子名称: | (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ... | 著者 | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | 登録日 | 2023-12-22 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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7X6K
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![BU of 7x6k by Molmil](/molmil-images/mine/7x6k) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3w | 分子名称: | 1H-indole-2-carbaldehyde, 3C-like proteinase | 著者 | Su, H, Nie, T, Xie, H, Li, Z.W, Li, M.J, Xu, Y. | 登録日 | 2022-03-07 | 公開日 | 2022-07-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination. J.Med.Chem., 65, 2022
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