7UE1
 
 | | HIV-1 Integrase Catalytic Core Domain Mutant (KGD) in Complex with Inhibitor GRL-142 | | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Integrase, SULFATE ION | | 著者 | Aoki, M, Aoki-Ogata, H, Bulut, H, Hayashi, H, Davis, D, Hasegawa, K, Yarchoan, R, Ghosh, A.K, Pau, A.K, Mitsuya, H. | | 登録日 | 2022-03-21 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | GRL-142 binds to and impairs HIV-1 integrase nuclear localization signal and potently suppresses highly INSTI-resistant HIV-1 variants.
Sci Adv, 9, 2023
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7UOQ
 | | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID | | 分子名称: | (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, Integrase, SULFATE ION | | 著者 | Lewis, H.A, Muckelbauer, J.K. | | 登録日 | 2022-04-13 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8867 Å) | | 主引用文献 | Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7USF
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7UT1
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7WCE
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid | | 分子名称: | (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, GLYCEROL, Integrase catalytic, ... | | 著者 | Taoda, Y, Sekiguchi, Y. | | 登録日 | 2021-12-20 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of tricyclic HIV-1 integrase-LEDGF/p75 allosteric inhibitors by intramolecular direct arylation reaction.
Bioorg.Med.Chem.Lett., 64, 2022
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7Z0H
 | | Structure of yeast RNA Polymerase III-Ty1 integrase complex at 2.6 A (focus subunit AC40). | | 分子名称: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | | 著者 | Nguyen, P.Q, Huecas, S, Plaza-Pegueroles, A, Fernandez-Tornero, C. | | 登録日 | 2022-02-22 | | 公開日 | 2023-04-05 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structural basis of Ty1 integrase tethering to RNA polymerase III for targeted retrotransposon integration.
Nat Commun, 14, 2023
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7Z1Z
 | | MVV strand transfer complex (STC) intasome in complex with LEDGF/p75 at 3.5 A resolution | | 分子名称: | DNA (37-MER), DNA (5'-D(*GP*CP*TP*GP*CP*GP*AP*GP*AP*TP*CP*CP*GP*CP*TP*CP*CP*GP*GP*TP*G)-3'), DNA (5'-D(P*TP*TP*GP*AP*TP*TP*AP*GP*GP*GP*TP*G)-3'), ... | | 著者 | Pye, V.E, Ballandras-Colas, A, Cherepanov, P. | | 登録日 | 2022-02-25 | | 公開日 | 2022-05-11 | | 最終更新日 | 2022-12-21 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Multivalent interactions essential for lentiviral integrase function.
Nat Commun, 13, 2022
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7Z2Z
 | | Structure of yeast RNA Polymerase III-DNA-Ty1 integrase complex (Pol III-DNA-IN1) at 3.1 A | | 分子名称: | (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | 著者 | Nguyen, P.Q, Fernandez-Tornero, C. | | 登録日 | 2022-03-01 | | 公開日 | 2023-04-05 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | Structural basis of Ty1 integrase tethering to RNA polymerase III for targeted retrotransposon integration.
Nat Commun, 14, 2023
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7Z30
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7Z31
 | | Structure of yeast RNA Polymerase III-Ty1 integrase complex at 2.7 A (focus subunit C11, no C11 C-terminal Zn-ribbon in the funnel pore). | | 分子名称: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | | 著者 | Nguyen, P.Q, Huecas, S, Plaza-Pegueroles, A, Fernandez-Tornero, C. | | 登録日 | 2022-03-01 | | 公開日 | 2023-04-05 | | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | | 主引用文献 | Structural basis of Ty1 integrase tethering to RNA polymerase III for targeted retrotransposon integration.
Nat Commun, 14, 2023
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7ZPP
 | | Cryo-EM structure of the MVV CSC intasome at 4.5A resolution | | 分子名称: | Integrase, vDNA, non-transferred strand, ... | | 著者 | Ballandras-Colas, A, Maskell, D, Pye, V.E, Locke, J, Swuec, S, Kotecha, A, Costa, A, Cherepanov, P. | | 登録日 | 2022-04-28 | | 公開日 | 2022-05-11 | | 最終更新日 | 2022-10-12 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | A supramolecular assembly mediates lentiviral DNA integration
Science, 355, 2017
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8A1P
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D | | 分子名称: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | 登録日 | 2022-06-01 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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8A1Q
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir) | | 分子名称: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ... | | 著者 | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | 登録日 | 2022-06-01 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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8B4H
 | | IstA transposase cleaved donor complex | | 分子名称: | DNA (55-MER) / right IS21 transposon end (insertion sequence IS5376), DNA (57-MER) / right IS21 transposon end (insertion sequence IS5376), MAGNESIUM ION, ... | | 著者 | Spinola-Amilibia, M, de la Gandara, A, Araujo-Bazan, L, Berger, J.M, Arias-Palomo, E. | | 登録日 | 2022-09-20 | | 公開日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | | 主引用文献 | IS21 family transposase cleaved donor complex traps two right-handed superhelical crossings.
Nat Commun, 14, 2023
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8BUV
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor LEDGIN 3 | | 分子名称: | (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 1,2-ETHANEDIOL, Integrase, ... | | 著者 | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | 登録日 | 2022-11-30 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor LEDGIN 3
To Be Published
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8BV2
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8CBR
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BDM-2 | | 分子名称: | (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | | 登録日 | 2023-01-25 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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8CBS
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871 | | 分子名称: | (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | | 登録日 | 2023-01-25 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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8CBT
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872 | | 分子名称: | (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | | 登録日 | 2023-01-25 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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8CBU
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884 | | 分子名称: | (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | | 登録日 | 2023-01-25 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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8CBV
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916 | | 分子名称: | (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P. | | 登録日 | 2023-01-25 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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8CT5
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8CT7
 | | Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436 | | 分子名称: | (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase, ... | | 著者 | Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D. | | 登録日 | 2022-05-13 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
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8CTA
 | | Minimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains | | 分子名称: | (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase | | 著者 | Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D. | | 登録日 | 2022-05-13 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
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8D3S
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