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3IGC
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BU of 3igc by Molmil
Smallpox virus topoisomerase-DNA transition state
分子名称: 5'-D(*AP*TP*TP*CP*C)-3', 5'-D(*CP*GP*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*GP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', ...
著者Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D.
登録日2009-07-27
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights from the Structure of a Smallpox Virus Topoisomerase-DNA Transition State Mimic.
Structure, 18, 2010
6VRG
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BU of 6vrg by Molmil
Structure of HIV-1 integrase with native amino-terminal sequence
分子名称: Integrase, PHOSPHATE ION, POTASSIUM ION, ...
著者Eilers, G, Gupta, K, Allen, A, Zhou, J, Hwang, Y, Cory, M, Bushman, F.D, Van Duyne, G.D.
登録日2020-02-07
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Influence of the amino-terminal sequence on the structure and function of HIV integrase.
Retrovirology, 17, 2020
2H7F
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BU of 2h7f by Molmil
Structure of variola topoisomerase covalently bound to DNA
分子名称: 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', DNA topoisomerase 1
著者Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D.
登録日2006-06-02
公開日2006-08-15
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for specificity in the poxvirus topoisomerase.
Mol.Cell, 23, 2006
2H7G
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BU of 2h7g by Molmil
Structure of variola topoisomerase non-covalently bound to DNA
分子名称: 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*TP*A)-3', DNA topoisomerase 1
著者Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D.
登録日2006-06-02
公開日2006-08-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for specificity in the poxvirus topoisomerase.
Mol.Cell, 23, 2006
5HOT
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BU of 5hot by Molmil
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
1HYV
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BU of 1hyv by Molmil
HIV INTEGRASE CORE DOMAIN COMPLEXED WITH TETRAPHENYL ARSONIUM
分子名称: CHLORIDE ION, INTEGRASE, SULFATE ION, ...
著者Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S.
登録日2001-01-22
公開日2001-04-04
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
1HYZ
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BU of 1hyz by Molmil
HIV INTEGRASE CORE DOMAIN COMPLEXED WITH A DERIVATIVE OF TETRAPHENYL ARSONIUM.
分子名称: (3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM, CHLORIDE ION, INTEGRASE, ...
著者Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S.
登録日2001-01-22
公開日2001-04-04
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
1B9F
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BU of 1b9f by Molmil
MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY
分子名称: CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION
著者Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S.
登録日1999-02-11
公開日1999-07-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity.
Biochemistry, 38, 1999
1B92
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BU of 1b92 by Molmil
MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY
分子名称: CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION
著者Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S.
登録日1999-02-19
公開日1999-07-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity.
Biochemistry, 38, 1999
1B9D
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BU of 1b9d by Molmil
MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY
分子名称: CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION
著者Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S.
登録日1999-02-11
公開日1999-07-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity.
Biochemistry, 38, 1999
1C0M
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BU of 1c0m by Molmil
CRYSTAL STRUCTURE OF RSV TWO-DOMAIN INTEGRASE
分子名称: PROTEIN (INTEGRASE)
著者Yang, Z.-N, Mueser, T.C, Bushman, F.D, Hyde, C.C.
登録日1999-07-16
公開日2000-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Crystal structure of an active two-domain derivative of Rous sarcoma virus integrase.
J.Mol.Biol., 296, 2000
1C1A
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BU of 1c1a by Molmil
CRYSTAL STRUCTURE OF RSV TWO-DOMAIN INTEGRASE
分子名称: RSV INTEGRASE
著者Yang, Z.-N, Mueser, T.C, Bushman, F.D, Hyde, C.C.
登録日1999-07-21
公開日2000-03-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of an active two-domain derivative of Rous sarcoma virus integrase.
J.Mol.Biol., 296, 2000
8CT7
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BU of 8ct7 by Molmil
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
8CTA
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BU of 8cta by Molmil
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
4OJR
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BU of 4ojr by Molmil
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
5E6F
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BU of 5e6f by Molmil
Canarypox virus resolvase
分子名称: CNPV261 Holliday junction resolvase protein, D(-)-TARTARIC ACID, MAGNESIUM ION
著者Li, H, Hwang, Y, Perry, K, Bushman, F.D, Van Duyne, G.D.
登録日2015-10-09
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Metal Binding Properties of a Poxvirus Resolvase.
J.Biol.Chem., 291, 2016
2M9U
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BU of 2m9u by Molmil
Solution NMR structure of the C-terminal domain (CTD) of Moloney murine leukemia virus integrase, Northeast Structural Genomics Target OR41A
分子名称: Integrase p46
著者Aiyer, S, Rossi, P, Schneider, W.M, Chander, A, Roth, M.J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-19
公開日2013-12-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Altering murine leukemia virus integration through disruption of the integrase and BET protein family interaction.
Nucleic Acids Res., 42, 2014
5HRR
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BU of 5hrr by Molmil
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
5HRP
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BU of 5hrp by Molmil
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
5HRS
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BU of 5hrs by Molmil
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
5HRN
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BU of 5hrn by Molmil
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
8CT5
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BU of 8ct5 by Molmil
Catalytic Core Domain of HIV-1 Integrase (F185K)
分子名称: Integrase, SULFATE ION
著者Gupta, K, Van Duyne, G.D, Eilers, G.
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 (1.97 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
4O0J
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BU of 4o0j by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid
分子名称: (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2013-12-13
公開日2014-07-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
4O5B
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BU of 4o5b by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
分子名称: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2013-12-19
公開日2014-07-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
4O55
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BU of 4o55 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
分子名称: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2013-12-19
公開日2014-07-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014

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