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3VQB
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BU of 3vqb by Molmil
HIV-1 IN core domain in complex with 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
Descriptor: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-21
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3VQ8
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BU of 3vq8 by Molmil
HIV-1 IN core domain in complex with (3R)-3,4-dihydro-2H-chromen-3-ylmethanol
Descriptor: (3R)-3,4-dihydro-2H-chromen-3-ylmethanol, CADMIUM ION, CHLORIDE ION, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-20
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3VQ7
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BU of 3vq7 by Molmil
HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline
Descriptor: 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-20
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3VQA
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BU of 3vqa by Molmil
HIV-1 IN core domain in complex with 1-benzothiophen-6-amine 1,1-dioxide
Descriptor: 1-benzothiophen-6-amine 1,1-dioxide, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-20
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3AO1
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BU of 3ao1 by Molmil
Fragment-based approach to the design of ligands targeting a novel site in HIV-1 integrase
Descriptor: 1,3-benzodioxol-5-ol, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Parker, M.W, Chalmers, D.K, Scanlon, M.J.
Deposit date:2010-09-17
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
3AO3
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BU of 3ao3 by Molmil
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
Descriptor: 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, CADMIUM ION, CHLORIDE ION, ...
Authors:Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J.
Deposit date:2010-09-20
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
3AO2
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BU of 3ao2 by Molmil
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine, ...
Authors:Wielens, J, Chalmers, D.K, Headey, S.J, Parker, M.W, Scanlon, M.J.
Deposit date:2010-09-20
Release date:2011-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
3AO5
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BU of 3ao5 by Molmil
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
Descriptor: 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine, CADMIUM ION, CHLORIDE ION, ...
Authors:Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J.
Deposit date:2010-09-21
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
3AO4
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BU of 3ao4 by Molmil
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
Descriptor: 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine, CADMIUM ION, CHLORIDE ION, ...
Authors:Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J.
Deposit date:2010-09-20
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
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