4A9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a9o by Molmil](/molmil-images/mine/4a9o) | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5 ethyl-3-methyl-4-phenyl-1, 2-oxazole | Descriptor: | 1,2-ETHANEDIOL, 5-ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE, BROMODOMAIN CONTAINING 2, ... | Authors: | Chung, C.W, Bamborough, P. | Deposit date: | 2011-11-26 | Release date: | 2012-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides. J.Med.Chem., 55, 2012
|
|
4AKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4akn by Molmil](/molmil-images/mine/4akn) | N-Terminal Bromodomain of Human BRD2 With tbutyl-phenyl-amino- dimethyl-oxazolyl-quinoline-carboxylic acid | 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 2, ... | Authors: | Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O. | Deposit date: | 2012-02-26 | Release date: | 2012-07-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A). Bioorg.Med.Chem.Lett., 22, 2012
|
|
4A9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a9h by Molmil](/molmil-images/mine/4a9h) | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one | Descriptor: | (2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE, 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 2, ... | Authors: | Chung, C.W, Bamborough, P. | Deposit date: | 2011-11-26 | Release date: | 2012-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery. J.Med.Chem., 55, 2012
|
|
4A9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a9i by Molmil](/molmil-images/mine/4a9i) | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one | Descriptor: | 1,2-ETHANEDIOL, 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE, BROMODOMAIN CONTAINING 2, ... | Authors: | Chung, C.W, Bamborough, P. | Deposit date: | 2011-11-26 | Release date: | 2012-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery. J.Med.Chem., 55, 2012
|
|
4A9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a9f by Molmil](/molmil-images/mine/4a9f) | |
4ALH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4alh by Molmil](/molmil-images/mine/4alh) | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3,5 dimethyl-4-phenyl-1,2- oxazole | Descriptor: | 1,2-ETHANEDIOL, 3,5 DIMETHYL-4-PHENYL-1,2-OXAZOLE, BROMODOMAIN CONTAINING 2, ... | Authors: | Chung, C.W, Bamborough, P. | Deposit date: | 2012-03-03 | Release date: | 2012-04-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides. J.Med.Chem., 55, 2012
|
|
4CL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cl9 by Molmil](/molmil-images/mine/4cl9) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET295 | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | Authors: | Chung, C, Atkinson, S. | Deposit date: | 2014-01-13 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes. Medchemcomm, 5, 2014
|
|
4CLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4clb by Molmil](/molmil-images/mine/4clb) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-295 | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | Authors: | Chung, C, Atkinson, S. | Deposit date: | 2014-01-13 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes. Medchemcomm, 5, 2014
|
|
4C67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c67 by Molmil](/molmil-images/mine/4c67) | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | Descriptor: | 1,2-ETHANEDIOL, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
|
|
5ACY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5acy by Molmil](/molmil-images/mine/5acy) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-(2R,4S)-2-methyl-4-(phenylamino)-6-4-(piperidin-1-ylmethyl)phenyl-1,2,3,4- tetrahydroquinolin-1-yl-ethan-1-one | Descriptor: | 1,2-ETHANEDIOL, 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C. | Deposit date: | 2015-08-18 | Release date: | 2015-10-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Autism-Like Syndrome is Induced by Pharmacological Suppression of Bet Proteins in Young Mice. J.Exp.Med., 212, 2015
|
|
4C66
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c66 by Molmil](/molmil-images/mine/4c66) | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | Descriptor: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
|
|
4A9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a9k by Molmil](/molmil-images/mine/4a9k) | BROMODOMAIN OF HUMAN CREBBP WITH N-(4-hydroxyphenyl)acetamide | Descriptor: | 1,2-ETHANEDIOL, CREB-BINDING PROTEIN, N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL), ... | Authors: | Chung, C.W, Bamborough, P. | Deposit date: | 2011-11-26 | Release date: | 2012-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery. J.Med.Chem., 55, 2012
|
|
4BW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bw4 by Molmil](/molmil-images/mine/4bw4) | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
|
|
4CFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cfk by Molmil](/molmil-images/mine/4cfk) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY294002 | Descriptor: | 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, BRD4 PROTEIN, ... | Authors: | Chung, C, Dittmann, A, Drewes, G. | Deposit date: | 2013-11-18 | Release date: | 2014-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains. Acs Chem.Biol., 9, 2014
|
|
4A9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a9l by Molmil](/molmil-images/mine/4a9l) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-DIMETHYL-6-(MORPHOLINE- 4-SULFONYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-2-ONE | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one, BROMODOMAIN-CONTAINING PROTEIN 4, ... | Authors: | Chung, C.W, Bamborough, P. | Deposit date: | 2011-11-26 | Release date: | 2012-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery. J.Med.Chem., 55, 2012
|
|
4CFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cfl by Molmil](/molmil-images/mine/4cfl) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY303511 | Descriptor: | 1,2-ETHANEDIOL, 8-phenyl-2-piperazin-1-yl-chromen-4-one, BRD4 PROTEIN, ... | Authors: | Chung, C, Dittmann, A, Drewes, G. | Deposit date: | 2013-11-18 | Release date: | 2014-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains. Acs Chem.Biol., 9, 2014
|
|
4BJX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bjx by Molmil](/molmil-images/mine/4bjx) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK1324726A (I-BET726) | Descriptor: | 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C. | Deposit date: | 2013-04-20 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Bet Inhibition Silences Expression of Mycn and Bcl2 and Induces Cytotoxicity in Neuroblastoma Tumor Models. Plos One, 8, 2013
|
|
4BW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bw1 by Molmil](/molmil-images/mine/4bw1) | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
|
|
4BW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bw3 by Molmil](/molmil-images/mine/4bw3) | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
|
|
4BW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bw2 by Molmil](/molmil-images/mine/4bw2) | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
|
|
2LN8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ln8 by Molmil](/molmil-images/mine/2ln8) | The solution structure of theromacin | Descriptor: | Theromacin | Authors: | Jung, S, Soennichsen, F.D, Hung, C.-W, Tholey, A, Boidin-Wichlacz, C, Hausgen, W, Gelhaus, C, Desel, C, Podschun, R, Watzig, V, Tasiemski, A, Leippe, M, Groetzinger, J. | Deposit date: | 2011-12-20 | Release date: | 2012-03-14 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Macin family of antimicrobial proteins combines antimicrobial and nerve repair activities. J.Biol.Chem., 287, 2012
|
|
1UWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uwf by Molmil](/molmil-images/mine/1uwf) | 1.7 A resolution structure of the receptor binding domain of the FimH adhesin from uropathogenic E. coli | Descriptor: | FIMH PROTEIN, GLYCEROL, butyl alpha-D-mannopyranoside | Authors: | Bouckaert, J, Berglund, J, Genst, E.D, Cools, L, Hung, C.-S, Wuhrer, M, Zavialov, A, Langermann, S, Hultgren, S, Wyns, L, Oscarson, S, Knight, S.D, De Greve, H. | Deposit date: | 2004-02-05 | Release date: | 2005-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Receptor Binding Studies Disclose a Novel Class of High-Affinity Inhibitors of the Escherichia Coli Fimh Adhesin. Mol.Microbiol., 55, 2005
|
|
2E2L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e2l by Molmil](/molmil-images/mine/2e2l) | |
2DYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dyv by Molmil](/molmil-images/mine/2dyv) | |
2DYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dyu by Molmil](/molmil-images/mine/2dyu) | |