4O5B
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4OJR
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![BU of 4ojr by Molmil](/molmil-images/mine/4ojr) | Crystal Structure of the HIV-1 Integrase catalytic domain with GSK1264 | 分子名称: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, CACODYLATE ION, HIV-1 Integrase, ... | 著者 | Gupta, K, Brady, T, Dyer, B, Hwang, Y, Male, F, Nolte, R.T, Wang, L, Velthuisen, E, Jeffrey, J, Van Duyne, G, Bushman, F.D. | 登録日 | 2014-01-21 | 公開日 | 2014-06-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Allosteric Inhibition of Human Immunodeficiency Virus Integrase: LATE BLOCK DURING VIRAL REPLICATION AND ABNORMAL MULTIMERIZATION INVOLVING SPECIFIC PROTEIN DOMAINS. J.Biol.Chem., 289, 2014
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4OVL
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4PA1
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![BU of 4pa1 by Molmil](/molmil-images/mine/4pa1) | |
4TSX
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4Y1C
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4Y1D
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4ZTF
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![BU of 4ztf by Molmil](/molmil-images/mine/4ztf) | Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | 分子名称: | (1R,2R,5S)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), ... | 著者 | Klein, D.J, Patel, S. | 登録日 | 2015-05-14 | 公開日 | 2015-10-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors. J.Med.Chem., 58, 2015
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4ZTJ
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![BU of 4ztj by Molmil](/molmil-images/mine/4ztj) | Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | 分子名称: | (1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | 著者 | Klein, D.J, Patel, S. | 登録日 | 2015-05-14 | 公開日 | 2015-10-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors. J.Med.Chem., 58, 2015
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5CZ1
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5CZ2
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![BU of 5cz2 by Molmil](/molmil-images/mine/5cz2) | Crystal structure of a two-domain fragment of MMTV integrase | 分子名称: | MAGNESIUM ION, Pol polyprotein, ZINC ION | 著者 | Cook, N, Ballandras-Colas, A, Engelman, A, Cherepanov, P. | 登録日 | 2015-07-31 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function. Nature, 530, 2016
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5EJK
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![BU of 5ejk by Molmil](/molmil-images/mine/5ejk) | Crystal structure of the Rous sarcoma virus intasome | 分子名称: | DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*TP*AP*CP*TP*C)-3'), DNA (5'-D(*AP*GP*TP*GP*TP*CP*TP*T)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*CP*TP*C)-3'), ... | 著者 | Yin, Z, Shi, K, Banerjee, S, Aihara, H. | 登録日 | 2015-11-02 | 公開日 | 2016-02-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Crystal structure of the Rous sarcoma virus intasome. Nature, 530, 2016
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5EU7
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![BU of 5eu7 by Molmil](/molmil-images/mine/5eu7) | Crystal structure of HIV-1 integrase catalytic core in complex with Fab | 分子名称: | FAB Heavy Chain, FAB light chain, Integrase | 著者 | Galilee, M, Griner, S.L, Stroud, R.M, Alian, A. | 登録日 | 2015-11-18 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | The Preserved HTH-Docking Cleft of HIV-1 Integrase Is Functionally Critical. Structure, 24, 2016
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5FRM
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![BU of 5frm by Molmil](/molmil-images/mine/5frm) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ384 (compound 4a) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', ... | 著者 | Maskell, D.P, Pye, V.E, Cherepanov, P. | 登録日 | 2015-12-18 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
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5FRN
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![BU of 5frn by Molmil](/molmil-images/mine/5frn) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ419 (compound 4c) | 分子名称: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | 著者 | Maskell, D.P, Pye, V.E, Cherepanov, P. | 登録日 | 2015-12-18 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
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5FRO
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![BU of 5fro by Molmil](/molmil-images/mine/5fro) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ446 (compound 4f) | 分子名称: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | 著者 | Maskell, D.P, Pye, V.E, Cherepanov, P. | 登録日 | 2015-12-18 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
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5HOT
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![BU of 5hot by Molmil](/molmil-images/mine/5hot) | Structural Basis for Inhibitor-Induced Aggregation of HIV-1 Integrase | 分子名称: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, Integrase | 著者 | Gupta, K, Turkki, V, Sherrill-Mix, S, Hwang, Y, Eilers, G, Taylor, L, McDanal, C, Wang, P, Temelkoff, D, Nolte, R, Velthuisen, E, Jeffrey, J, Van Duyne, G.D, Bushman, F.D. | 登録日 | 2016-01-19 | 公開日 | 2016-12-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | 主引用文献 | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase. PLoS Biol., 14, 2016
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5HRN
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![BU of 5hrn by Molmil](/molmil-images/mine/5hrn) | HIV Integrase Catalytic Domain containing F185K mutation complexed with GSK0002 | 分子名称: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | 著者 | Nolte, R.T. | 登録日 | 2016-01-23 | 公開日 | 2016-12-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase. PLoS Biol., 14, 2016
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5HRP
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![BU of 5hrp by Molmil](/molmil-images/mine/5hrp) | HIV Integrase Catalytic Domain containing F185K + A124T mutations complexed with GSK0002 | 分子名称: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | 著者 | Nolte, R.T. | 登録日 | 2016-01-24 | 公開日 | 2016-12-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase. PLoS Biol., 14, 2016
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5HRR
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![BU of 5hrr by Molmil](/molmil-images/mine/5hrr) | HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002 | 分子名称: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | 著者 | Nolte, R.T. | 登録日 | 2016-01-24 | 公開日 | 2016-12-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase. PLoS Biol., 14, 2016
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5HRS
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![BU of 5hrs by Molmil](/molmil-images/mine/5hrs) | HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with GSK0002 | 分子名称: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | 著者 | Nolte, R.T. | 登録日 | 2016-01-24 | 公開日 | 2016-12-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase. PLoS Biol., 14, 2016
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5JL4
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5KGW
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![BU of 5kgw by Molmil](/molmil-images/mine/5kgw) | HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | 分子名称: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | 著者 | Feng, L, Kobe, M, Kvaratskhelia, M. | 登録日 | 2016-06-13 | 公開日 | 2016-10-19 | 最終更新日 | 2018-03-07 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Indole-based allosteric inhibitors of HIV-1 integrase. Bioorg.Med.Chem.Lett., 26, 2016
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5KGX
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![BU of 5kgx by Molmil](/molmil-images/mine/5kgx) | HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | 分子名称: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | 著者 | Feng, L, Kobe, M, Kvaratskhelia, M. | 登録日 | 2016-06-13 | 公開日 | 2016-10-19 | 最終更新日 | 2018-03-07 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Indole-based allosteric inhibitors of HIV-1 integrase. Bioorg.Med.Chem.Lett., 26, 2016
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5KRS
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![BU of 5krs by Molmil](/molmil-images/mine/5krs) | HIV-1 Integrase Catalytic Core Domain in Complex with an Allosteric Inhibitor, 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid | 分子名称: | 3-pyrrol-1-ylthiophene-2-carboxylic acid, DIMETHYL SULFOXIDE, Integrase | 著者 | Patel, D, Bauman, J.D, Arnold, E. | 登録日 | 2016-07-07 | 公開日 | 2016-09-28 | 最終更新日 | 2022-03-23 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain. J.Biol.Chem., 291, 2016
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