1CXQ
| ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN FROM AMMONIUM SULFATE | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE, GLYCEROL | 著者 | Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A. | 登録日 | 1999-08-30 | 公開日 | 1999-09-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant. Biochemistry, 38, 1999
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1CZB
| ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN FROM HEPES | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE | 著者 | Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A. | 登録日 | 1999-09-01 | 公開日 | 1999-09-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant. Biochemistry, 38, 1999
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1CZ9
| ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN (D64N) FROM CITRATE | 分子名称: | AVIAN SARCOMA VIRUS INTEGRASE, CITRIC ACID, SULFATE ION | 著者 | Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A. | 登録日 | 1999-09-01 | 公開日 | 1999-09-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant. Biochemistry, 38, 1999
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1CXU
| 1.42A RESOLUTION ASV INTEGRASE CORE DOMAIN FROM CITRATE | 分子名称: | CITRIC ACID, GLYCEROL, PROTEIN (AVIAN SARCOMA VIRUS INTEGRASE) | 著者 | Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Wlodawer, A. | 登録日 | 1999-08-30 | 公開日 | 1999-09-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant. Biochemistry, 38, 1999
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3VQ5
| HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE | 分子名称: | CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ4
| Fragments bound to HIV-1 integrase | 分子名称: | (5-phenyl-1,2-oxazol-3-yl)methanol, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ6
| HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol | 分子名称: | (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQE
| HIV-1 IN core domain in complex with [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol | 分子名称: | CADMIUM ION, CHLORIDE ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQC
| HIV-1 IN core domain in complex with (5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)METHANOL | 分子名称: | (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQD
| HIV-1 IN core domain in complex with 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid | 分子名称: | 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQQ
| HIV-1 integrase core domain in complex with 2,1,3-benzothiadiazol-4-amine | 分子名称: | 2,1,3-benzothiadiazol-4-amine, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-29 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ9
| HIV-1 IN core domain in complex with 6-fluoro-1,3-benzothiazol-2-amine | 分子名称: | 6-fluoro-1,3-benzothiazol-2-amine, POL polyprotein | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQP
| HIV-1 IN core domain in complex with 2,3-dihydro-1,4-benzodioxin-5-ylmethanol | 分子名称: | 2,3-dihydro-1,4-benzodioxin-5-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-29 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQB
| HIV-1 IN core domain in complex with 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid | 分子名称: | 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-21 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ8
| HIV-1 IN core domain in complex with (3R)-3,4-dihydro-2H-chromen-3-ylmethanol | 分子名称: | (3R)-3,4-dihydro-2H-chromen-3-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQ7
| HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline | 分子名称: | 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQA
| HIV-1 IN core domain in complex with 1-benzothiophen-6-amine 1,1-dioxide | 分子名称: | 1-benzothiophen-6-amine 1,1-dioxide, CADMIUM ION, POL polyprotein, ... | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | 登録日 | 2012-03-20 | 公開日 | 2013-01-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3WNH
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3WNF
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3WNG
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3WNE
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3ZSW
| Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | 分子名称: | (R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium, ACETIC ACID, CHLORIDE ION, ... | 著者 | Peat, T.S, Newman, J, Rhodes, D.I, 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, Deadman, J.J. | 登録日 | 2011-07-01 | 公開日 | 2012-07-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 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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3ZT2
| Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | 分子名称: | 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETATE ION, INTEGRASE, ... | 著者 | Peat, T.S, Newman, J, Rhodes, D.I, 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, Deadman, J.J. | 登録日 | 2011-07-01 | 公開日 | 2012-07-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 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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3ZSY
| Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | 分子名称: | (R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM, ACETATE ION, INTEGRASE, ... | 著者 | Peat, T.S, Newman, J, Rhodes, D.I, 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, Deadman, J.J. | 登録日 | 2011-07-01 | 公開日 | 2012-07-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 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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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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