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3LPU
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BU of 3lpu by Molmil
HIV integrase
Descriptor: (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ...
Authors:Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z.
Deposit date:2010-02-06
Release date:2010-05-12
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
3LPT
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BU of 3lpt by Molmil
HIV integrase
Descriptor: (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ...
Authors:Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z.
Deposit date:2010-02-05
Release date:2010-05-12
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
8Q68
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BU of 8q68 by Molmil
Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143
Descriptor: Transcriptional enhancer factor TEF-1, ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide
Authors:Ciesielski, F, Spieser, S.A.H, Marchand, A, Gwaltney, S.L.
Deposit date:2023-08-11
Release date:2023-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models.
Mol.Cancer Ther., 23, 2024
5OUG
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BU of 5oug by Molmil
Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline and allosteric binder fragment 4.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide, Alpha-Lobeline, ...
Authors:Delbart, F, Gruss, F, Ulens, C.
Deposit date:2017-08-23
Release date:2017-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein.
J. Biol. Chem., 293, 2018
5OUI
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BU of 5oui by Molmil
Humanized alpha-AChBP (acetylcholine binding protein) in complex with allosteric binder fragment CU2017
Descriptor: (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Delbart, F, Gruss, F, Ulens, C.
Deposit date:2017-08-23
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein.
J. Biol. Chem., 293, 2018
5OUH
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BU of 5ouh by Molmil
Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, Alpha-Lobeline, ...
Authors:Delbart, F, Gruss, F, Ulens, C.
Deposit date:2017-08-23
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein.
J. Biol. Chem., 293, 2018

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