5CTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ctl by Molmil](/molmil-images/mine/5ctl) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-24 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
|
|
5DX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dx4 by Molmil](/molmil-images/mine/5dx4) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-09-23 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
|
|
4R7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r7h by Molmil](/molmil-images/mine/4r7h) | Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397 | Descriptor: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor | Authors: | Zhang, Y, Zhang, K, Zhang, C. | Deposit date: | 2014-08-27 | Release date: | 2015-08-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8001 Å) | Cite: | Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor. N Engl J Med, 373, 2015
|
|
4XV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xv3 by Molmil](/molmil-images/mine/4xv3) | B-Raf Kinase V600E oncogenic mutant in complex with PLX7922 | Descriptor: | N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2015-01-26 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
|
|
4XV9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xv9 by Molmil](/molmil-images/mine/4xv9) | B-Raf Kinase domain in complex with PLX5568 | Descriptor: | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf | Authors: | zhang, Y, zhang, c, wang, w. | Deposit date: | 2015-01-26 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
|
|
4XV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xv2 by Molmil](/molmil-images/mine/4xv2) | |
8E4V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e4v by Molmil](/molmil-images/mine/8e4v) | Solution structure of the WH domain of MORF | Descriptor: | Isoform 3 of Histone acetyltransferase KAT6B | Authors: | Zhang, Y, Kutateladze, T.G. | Deposit date: | 2022-08-19 | Release date: | 2023-05-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | MORF and MOZ acetyltransferases target unmethylated CpG islands through the winged helix domain. Nat Commun, 14, 2023
|
|
4XV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xv1 by Molmil](/molmil-images/mine/4xv1) | B-Raf Kinase V600E oncogenic mutant in complex with PLX7904 | Descriptor: | N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2015-01-26 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
|
|
4R7I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r7i by Molmil](/molmil-images/mine/4r7i) | |
4RT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rt7 by Molmil](/molmil-images/mine/4rt7) | Crystal Structure of FLT3 with a small molecule inhibitor | Descriptor: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3 | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2014-11-13 | Release date: | 2015-04-22 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Characterizing and Overriding the Structural Mechanism of the Quizartinib-Resistant FLT3 "Gatekeeper" F691L Mutation with PLX3397. Cancer Discov, 5, 2015
|
|
8GUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gug by Molmil](/molmil-images/mine/8gug) | Structure of VPA0770 toxin bound to VPA0769 antitoxin in Vibrio parahaemolyticus | Descriptor: | DUF2384 domain-containing protein, RES domain-containing protein | Authors: | Song, X.J, Zhang, Y, Xu, Y.Y, Lin, Z. | Deposit date: | 2022-09-12 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural insights of the toxin-antitoxin system VPA0770-VPA0769 in Vibrio parahaemolyticus. Int.J.Biol.Macromol., 242, 2023
|
|
6E83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e83 by Molmil](/molmil-images/mine/6e83) | |
6E86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e86 by Molmil](/molmil-images/mine/6e86) | |
5WTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wta by Molmil](/molmil-images/mine/5wta) | Crystal Structure of Staphylococcus aureus SdrE apo form | Descriptor: | Serine-aspartate repeat-containing protein E | Authors: | Wu, M, Zhang, Y, Hang, T, Wang, C, Yang, Y, Zang, J, Zhang, M, Zhang, X. | Deposit date: | 2016-12-10 | Release date: | 2017-07-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Staphylococcus aureus SdrE captures complement factor H's C-terminus via a novel 'close, dock, lock and latch' mechanism for complement evasion Biochem. J., 474, 2017
|
|
5E18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e18 by Molmil](/molmil-images/mine/5e18) | |
5E17
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e17 by Molmil](/molmil-images/mine/5e17) | |
5WTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wtb by Molmil](/molmil-images/mine/5wtb) | Complex Structure of Staphylococcus aureus SdrE with human complement factor H | Descriptor: | Peptide from Complement factor H, Serine-aspartate repeat-containing protein E | Authors: | Wu, M, Zhang, Y, Hang, T, Wang, C, Yang, Y, Zang, J, Zhang, M, Zhang, X. | Deposit date: | 2016-12-10 | Release date: | 2017-07-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Staphylococcus aureus SdrE captures complement factor H's C-terminus via a novel 'close, dock, lock and latch' mechanism for complement evasion Biochem. J., 474, 2017
|
|
5D4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d4c by Molmil](/molmil-images/mine/5d4c) | |
2VI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vi5 by Molmil](/molmil-images/mine/2vi5) | LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO N-6-(ribitylamino)pyrimidine-2,4(1H,3H)-dione-5-yl-propionamide | Descriptor: | 1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, PHOSPHATE ION, ... | Authors: | Morgunova, E, Zhang, Y, Jin, G, Illarionov, B, Bacher, A, Fischer, M, Cushman, M, Ladenstein, R. | Deposit date: | 2007-11-27 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A New Series of N-[2,4-Dioxo-6-D-Ribitylamino-1,2, 3,4-Tetrahydropyrimidin-5-Yl]Oxalamic Acid Derivatives as Inhibitors of Lumazine Syntase and Riboflavin Synthase: Design, Synthesis, Biochemical Evaluation, Crystallography and Mechanistic Implications. J.Org.Chem., 73, 2008
|
|
5D4E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d4e by Molmil](/molmil-images/mine/5d4e) | |
5D4D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d4d by Molmil](/molmil-images/mine/5d4d) | |
4JND
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jnd by Molmil](/molmil-images/mine/4jnd) | Structure of a C.elegans sex determining protein | Descriptor: | Ca(2+)/calmodulin-dependent protein kinase phosphatase, MAGNESIUM ION | Authors: | Feng, Y, Zhang, Y, Ge, J, Yang, M. | Deposit date: | 2013-03-15 | Release date: | 2013-06-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | Structural insight into Caenorhabditis elegans sex-determining protein FEM-2. J.Biol.Chem., 288, 2013
|
|
4K7F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k7f by Molmil](/molmil-images/mine/4k7f) | Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201 | Descriptor: | Beta-2-microglobulin, Core protein, HLA class I histocompatibility antigen, ... | Authors: | Meng, S.D, Zhang, Y, Wu, Y, Qi, J.X. | Deposit date: | 2013-04-17 | Release date: | 2013-06-05 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The L60V variation in hepatitis B virus core protein elicits new epitope-specific cytotoxic T lymphocytes and enhances viral replication. J.Virol., 87, 2013
|
|
2QCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qcx by Molmil](/molmil-images/mine/2qcx) | Crystal structure of Bacillus subtilis TenA Y112F mutant complexed with formyl aminomethyl pyrimidine | Descriptor: | N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE, Transcriptional activator tenA | Authors: | Zhang, Y, Jenkins, A.L, Begley, T.P, Ealick, S.E. | Deposit date: | 2007-06-19 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutagenesis studies on TenA: A thiamin salvage enzyme from Bacillus subtilis Bioorg.Chem., 36, 2008
|
|
7Q83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q83 by Molmil](/molmil-images/mine/7q83) | |