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4NRE
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BU of 4nre by Molmil
The structure of human 15-lipoxygenase-2 with a substrate mimic
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Arachidonate 15-lipoxygenase B, CALCIUM ION, ...
Authors:Kobe, M.J, Neau, D.B, Mitchell, C.E, Bartlett, S.G, Newcomer, M.E.
Deposit date:2013-11-26
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:The structure of human 15-lipoxygenase-2 with a substrate mimic.
J.Biol.Chem., 289, 2014
4HR7
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BU of 4hr7 by Molmil
Crystal Structure of Biotin Carboxyl Carrier Protein-Biotin Carboxylase Complex from E.coli
Descriptor: 1,2-ETHANEDIOL, Biotin carboxyl carrier protein of acetyl-CoA carboxylase, Biotin carboxylase, ...
Authors:Broussard, T.C, Kobe, M.J, Pakhomova, S, Neau, D.B, Price, A.E, Champion, T.S, Waldrop, G.L.
Deposit date:2012-10-26
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:The three-dimensional structure of the biotin carboxylase-biotin carboxyl carrier protein complex of E. coli acetyl-CoA carboxylase.
Structure, 21, 2013
6EB2
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BU of 6eb2 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid
Descriptor: (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid, Integrase
Authors:Lindenberger, J.J, Kobe, M, Kvaratskhelia, M.
Deposit date:2018-08-03
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
5JL4
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BU of 5jl4 by Molmil
Inhibitor resistant mutant catalytic core domain of HIV-1 Integrase
Descriptor: Integrase, SULFATE ION
Authors:Feng, L, Kobe, M, Kvaratskhelia, M.
Deposit date:2016-04-26
Release date:2017-10-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:Resistance to pyridine-based inhibitor KF116 reveals an unexpected role of integrase in HIV-1 Gag-Pol polyprotein proteolytic processing.
J. Biol. Chem., 292, 2017
5KGW
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BU of 5kgw by Molmil
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
Descriptor: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION
Authors:Feng, L, Kobe, M, Kvaratskhelia, M.
Deposit date:2016-06-13
Release date:2016-10-19
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
5KGX
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BU of 5kgx by Molmil
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
Descriptor: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION
Authors:Feng, L, Kobe, M, Kvaratskhelia, M.
Deposit date:2016-06-13
Release date:2016-10-19
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
6EB1
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BU of 6eb1 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid
Descriptor: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid, Integrase
Authors:Lindenberger, J.J, Kobe, M, Kvaratskhelia, M.
Deposit date:2018-08-03
Release date:2019-03-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019

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