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4BW4
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BU of 4bw4 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Descriptor: 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
Deposit date:2013-06-29
Release date:2013-09-11
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
4BW1
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BU of 4bw1 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Descriptor: 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
Deposit date:2013-06-29
Release date:2013-09-11
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
4BW3
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BU of 4bw3 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Descriptor: 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
Deposit date:2013-06-29
Release date:2013-09-11
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
4BW2
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BU of 4bw2 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Descriptor: 1,2-ETHANEDIOL, 4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
Deposit date:2013-06-29
Release date:2013-09-11
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
6DML
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BU of 6dml by Molmil
A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4
Descriptor: 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, Bromodomain-containing protein 4
Authors:Hudson, B.M, van Zundert, G, Keedy, D, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
Deposit date:2018-06-05
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
5LYY
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BU of 5lyy by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
Descriptor: 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione, Platelet-activating factor acetylhydrolase
Authors:Woolford, A, Day, P.
Deposit date:2016-09-29
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
5LZ9
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BU of 5lz9 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
Descriptor: 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ...
Authors:Woolford, A, Day, P.
Deposit date:2016-09-29
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
5LZ5
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BU of 5lz5 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
Descriptor: 2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
Authors:Woolford, A.J.A, Day, P.J.
Deposit date:2016-09-29
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
5LZ4
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BU of 5lz4 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
Descriptor: 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
Authors:Woolford, A, Day, P.
Deposit date:2016-09-29
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
5LZ8
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BU of 5lz8 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
Descriptor: 5-[2-[(4~{S})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
Authors:Woolford, A, Day, P.
Deposit date:2016-09-29
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
5LZ2
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BU of 5lz2 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
Descriptor: 3-cyano-~{N}-cyclopropyl-benzenesulfonamide, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ...
Authors:Woolford, A, Day, P.
Deposit date:2016-09-29
Release date:2016-12-21
Last modified:2022-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
5LZ7
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BU of 5lz7 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
Descriptor: 2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
Authors:Woolford, A, Day, P.
Deposit date:2016-09-29
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016

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