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6LMI
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BU of 6lmi by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid
Descriptor: (2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase catalytic, ...
Authors:Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T.
Deposit date:2019-12-25
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
6LMQ
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BU of 6lmq by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid
Descriptor: (2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase catalytic, SULFATE ION, ...
Authors:Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T.
Deposit date:2019-12-26
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
1HNS
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BU of 1hns by Molmil
H-NS (DNA-BINDING DOMAIN)
Descriptor: H-NS
Authors:Shindo, H, Iwaki, T, Ieda, R, Kurumizaka, H, Ueguchi, C, Mizuno, T, Morikawa, S, Nakamura, H, Kuboniwa, H.
Deposit date:1995-04-06
Release date:1995-07-10
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the DNA binding domain of a nucleoid-associated protein, H-NS, from Escherichia coli.
FEBS Lett., 360, 1995
1HNR
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BU of 1hnr by Molmil
H-NS (DNA-BINDING DOMAIN)
Descriptor: H-NS
Authors:Shindo, H, Iwaki, T, Ieda, R, Kurumizaka, H, Ueguchi, C, Mizuno, T, Morikawa, S, Nakamura, H, Kuboniwa, H.
Deposit date:1995-04-06
Release date:1995-07-10
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the DNA binding domain of a nucleoid-associated protein, H-NS, from Escherichia coli.
FEBS Lett., 360, 1995
7D83
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BU of 7d83 by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid
Descriptor: (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION
Authors:Sugiyama, S, Sekiguchi, Y.
Deposit date:2020-10-07
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond.
Bioorg.Med.Chem.Lett., 33, 2020

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