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4JLH
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BU of 4jlh by Molmil
HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, HIV-1 Integrase catalytic core domain, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2013-03-12
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
4GW6
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BU of 4gw6 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein
著者Feng, L, Kvaratskhelia, M.
登録日2012-08-31
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
4GVM
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BU of 4gvm by Molmil
HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein
著者Feng, L, Kvaratskhelia, M.
登録日2012-08-30
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
4WHJ
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BU of 4whj by Molmil
Myxovirus Resistance Protein 2 (MxB)
分子名称: Interferon-induced GTP-binding protein Mx2
著者Xiong, Y, Fribourgh, J.L, Nguyen, H.C.
登録日2014-09-22
公開日2014-10-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Insight into HIV-1 Restriction by MxB.
Cell Host Microbe, 16, 2014
3HPG
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BU of 3hpg by Molmil
Visna virus integrase (residues 1-219) in complex with LEDGF IBD: examples of open integrase dimer-dimer interfaces
分子名称: Integrase, PC4 and SFRS1-interacting protein, ZINC ION
著者Hare, S, Labeja, A, Cherepanov, P.
登録日2009-06-04
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structural basis for functional tetramerization of lentiviral integrase
Plos Pathog., 5, 2009
2ITG
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BU of 2itg by Molmil
CATALYTIC DOMAIN OF HIV-1 INTEGRASE: ORDERED ACTIVE SITE IN THE F185H CONSTRUCT
分子名称: HUMAN IMMUNODEFICIENCY VIRUS-1 INTEGRASE
著者Bujacz, G, Alexandratos, J, Wlodawer, A, Zhou-Liu, Q, Clement-Mella, C.
登録日1996-09-13
公開日1997-03-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The catalytic domain of human immunodeficiency virus integrase: ordered active site in the F185H mutant.
FEBS Lett., 398, 1996
6MEV
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BU of 6mev by Molmil
Structure of JMJD6 bound to Mono-Methyl Arginine.
分子名称: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ...
著者Lee, S, Zhang, G.
登録日2018-09-07
公開日2019-09-18
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
3HPH
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BU of 3hph by Molmil
Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD
分子名称: GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ...
著者Hare, S, Wang, J, Cherepanov, P.
登録日2009-06-04
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural basis for functional tetramerization of lentiviral integrase
Plos Pathog., 5, 2009
4C0O
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BU of 4c0o by Molmil
Transportin 3 in complex with phosphorylated ASF/SF2
分子名称: POTASSIUM ION, SERINE/ARGININE-RICH SPLICING FACTOR 1, TRANSPORTIN-3
著者Maertens, G.N, Cook, N.J, Cherepanov, P.
登録日2013-08-06
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.557 Å)
主引用文献Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
4C0Q
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BU of 4c0q by Molmil
Transportin 3 in complex with Ran(Q69L)GTP
分子名称: GTP-BINDING NUCLEAR PROTEIN RAN, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Maertens, G, Hare, S, Cherepanov, P.
登録日2013-08-06
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
4C0P
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BU of 4c0p by Molmil
Unliganded Transportin 3
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TRANSPORTIN-3
著者Maertens, G.N, Cook, N.J, Hare, S, Cherepanov, P.
登録日2013-08-06
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
4DMN
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BU of 4dmn by Molmil
HIV-1 Integrase Catalytical Core Domain
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, ARSENIC, HIV-1 Integrase, ...
著者Feng, L, Kvaratskhelia, M.
登録日2012-02-08
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Multimode, cooperative mechanism of action of allosteric HIV-1 integrase inhibitors.
J.Biol.Chem., 287, 2012
3L2Q
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BU of 3l2q by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in apo form
分子名称: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', GLYCEROL, ...
著者Hare, S, Gupta, S.S, Cherepanov, P.
登録日2009-12-15
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3L2V
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BU of 3l2v by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with manganese and MK0518 (Raltegravir)
分子名称: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ...
著者Hare, S, Gupta, S.S, Cherepanov, P.
登録日2009-12-15
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3L2W
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BU of 3l2w by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with manganese and GS9137 (Elvitegravir)
分子名称: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ...
著者Hare, S, Gupta, S.S, Cherepanov, P.
登録日2009-12-15
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3MHP
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BU of 3mhp by Molmil
FNR-recruitment to the thylakoid
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, leaf isozyme, ...
著者Groll, M, Alte, F, Soll, J, Boelter, B.
登録日2010-04-08
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Ferredoxin:NADPH oxidoreductase is recruited to thylakoids by binding to a polyproline type II helix in a pH-dependent manner.
Proc.Natl.Acad.Sci.USA, 107, 2010
3L2R
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BU of 3l2r by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium
分子名称: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ...
著者Hare, S, Gupta, S.S, Cherepanov, P.
登録日2009-12-15
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3L2U
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BU of 3l2u by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and GS9137 (Elvitegravir)
分子名称: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ...
著者Hare, S, Gupta, S.S, Cherepanov, P.
登録日2009-12-15
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
2OMV
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BU of 2omv by Molmil
Crystal structure of InlA S192N Y369S/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OMY
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BU of 2omy by Molmil
Crystal structure of InlA S192N/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OMW
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BU of 2omw by Molmil
Crystal structure of InlA S192N Y369S/mEC1 complex
分子名称: CHLORIDE ION, Epithelial-cadherin, Internalin-A
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
3OY9
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BU of 3oy9 by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with manganese at 2.55 resolution
分子名称: AMMONIUM ION, 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Hare, S, Cherepanov, P.
登録日2010-09-23
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Retroviral intasome assembly and inhibition of DNA strand transfer.
Nature, 464, 2010
3F9K
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Two domain fragment of HIV-2 integrase in complex with LEDGF IBD
分子名称: Integrase, MAGNESIUM ION, PC4 and SFRS1-interacting protein, ...
著者Hare, S, Cherepanov, P.
登録日2008-11-14
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A novel co-crystal structure affords the design of gain-of-function lentiviral integrase mutants in the presence of modified PSIP1/LEDGF/p75
Plos Pathog., 5, 2009
6RSU
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TBK1 in complex with Inhibitor compound 35
分子名称: 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1
著者Panne, D, Hillig, R.C, Rengachari, S.
登録日2019-05-22
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
6RSR
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TBK1 in complex with compound 2
分子名称: Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide
著者Panne, D, Hillig, R.C, Rengachari, S.
登録日2019-05-22
公開日2020-01-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020

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