3ZSO
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![BU of 3zso by Molmil](/molmil-images/mine/3zso) | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based design | 分子名称: | 5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, INTEGRASE, ... | 著者 | Peat, T.S, Newman, J, Rhodes, D.I, Deadman, J.J, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L. | 登録日 | 2011-06-30 | 公開日 | 2012-07-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
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3NF7
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![BU of 3nf7 by Molmil](/molmil-images/mine/3nf7) | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | 分子名称: | 1,2-ETHANEDIOL, 5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | 著者 | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | 登録日 | 2010-06-09 | 公開日 | 2011-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NF9
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![BU of 3nf9 by Molmil](/molmil-images/mine/3nf9) | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | 分子名称: | 1,2-ETHANEDIOL, 5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | 著者 | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | 登録日 | 2010-06-10 | 公開日 | 2011-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NF6
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![BU of 3nf6 by Molmil](/molmil-images/mine/3nf6) | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | 分子名称: | 1,2-ETHANEDIOL, 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | 著者 | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | 登録日 | 2010-06-09 | 公開日 | 2011-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NF8
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![BU of 3nf8 by Molmil](/molmil-images/mine/3nf8) | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | 分子名称: | 6-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ... | 著者 | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | 登録日 | 2010-06-09 | 公開日 | 2011-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NFA
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![BU of 3nfa by Molmil](/molmil-images/mine/3nfa) | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | 分子名称: | 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ... | 著者 | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | 登録日 | 2010-06-10 | 公開日 | 2011-04-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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5EH7
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![BU of 5eh7 by Molmil](/molmil-images/mine/5eh7) | human carbonic anhydrase II in complex with ligand | 分子名称: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole, Carbonic anhydrase 2, FORMIC ACID, ... | 著者 | Ren, B. | 登録日 | 2015-10-28 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.425 Å) | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5EH5
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![BU of 5eh5 by Molmil](/molmil-images/mine/5eh5) | human carbonic anhydrase II in complex with ligand | 分子名称: | 1.7.6 4-methylpyrimidine-2-sulfonamide, Carbonic anhydrase 2, FORMIC ACID, ... | 著者 | Ren, B. | 登録日 | 2015-10-28 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.207 Å) | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5EHV
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![BU of 5ehv by Molmil](/molmil-images/mine/5ehv) | human carbonic anhydrase II in complex with ligand | 分子名称: | (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... | 著者 | Ren, B. | 登録日 | 2015-10-29 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.208 Å) | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5EHW
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![BU of 5ehw by Molmil](/molmil-images/mine/5ehw) | human carbonic anhydrase II in complex with ligand | 分子名称: | (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... | 著者 | Ren, B. | 登録日 | 2015-10-29 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.392 Å) | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5EH8
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![BU of 5eh8 by Molmil](/molmil-images/mine/5eh8) | human carbonic anhydrase II in complex with ligand | 分子名称: | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... | 著者 | Ren, B. | 登録日 | 2015-10-28 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.381 Å) | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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3ZCM
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![BU of 3zcm by Molmil](/molmil-images/mine/3zcm) | |
6WI7
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![BU of 6wi7 by Molmil](/molmil-images/mine/6wi7) | RING1B-BMI1 fusion in closed conformation | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1 chimera, ... | 著者 | Cho, H.J, Cierpicki, T. | 登録日 | 2020-04-08 | 公開日 | 2021-04-14 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | 主引用文献 | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
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6WI8
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![BU of 6wi8 by Molmil](/molmil-images/mine/6wi8) | |
7ND1
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![BU of 7nd1 by Molmil](/molmil-images/mine/7nd1) | First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain | 分子名称: | 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ... | 著者 | Cierpicki, T, Lund, G, Jaremko, L. | 登録日 | 2021-01-29 | 公開日 | 2021-06-16 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
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