3UBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ubb by Molmil](/molmil-images/mine/3ubb) | |
8W01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w01 by Molmil](/molmil-images/mine/8w01) | |
8W04
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w04 by Molmil](/molmil-images/mine/8w04) | |
6K4V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k4v by Molmil](/molmil-images/mine/6k4v) | The solution structure of the smart chimeric peptide G6 | Descriptor: | smart chimeric peptide G6 | Authors: | Wang, J.H, Liu, X.H. | Deposit date: | 2019-05-27 | Release date: | 2019-06-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli. Commun Biol, 3, 2020
|
|
4R6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r6u by Molmil](/molmil-images/mine/4r6u) | IL-18 receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-18, Interleukin-18 receptor 1 | Authors: | Wei, H, Wang, X. | Deposit date: | 2014-08-26 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for the specific recognition of IL-18 by its alpha receptor. Febs Lett., 588, 2014
|
|
6K4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k4w by Molmil](/molmil-images/mine/6k4w) | smart chimeric peptide SCP-A6 | Descriptor: | SCP-A6 | Authors: | Wang, J.H, Liu, X.H. | Deposit date: | 2019-05-27 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli. Commun Biol, 3, 2020
|
|
3WX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wx8 by Molmil](/molmil-images/mine/3wx8) | |
4AGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ago by Molmil](/molmil-images/mine/4ago) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5174 | Descriptor: | CELLULAR TUMOR ANTIGEN P53, TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE, ZINC ION | Authors: | Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M. | Deposit date: | 2012-01-30 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
|
|
3KK1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kk1 by Molmil](/molmil-images/mine/3kk1) | |
3KK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kk3 by Molmil](/molmil-images/mine/3kk3) | HIV-1 reverse transcriptase-DNA complex with GS-9148 terminated primer | Descriptor: | 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*C*(URT))-3', 5'-D(*AP*TP*GP*GP*TP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | Authors: | Lansdon, E.B. | Deposit date: | 2009-11-04 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex. J.Mol.Biol., 397, 2010
|
|
3L3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l3m by Molmil](/molmil-images/mine/3l3m) | PARP complexed with A927929 | Descriptor: | 2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide, Poly [ADP-ribose] polymerase 1 | Authors: | Park, C.H. | Deposit date: | 2009-12-17 | Release date: | 2010-06-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor. J.Med.Chem., 53, 2010
|
|
3KZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kze by Molmil](/molmil-images/mine/3kze) | |
8E5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e5f by Molmil](/molmil-images/mine/8e5f) | Cryo-EM of P. calidifontis cytochrome filament | Descriptor: | HEME C, c-type cytochrome | Authors: | Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H. | Deposit date: | 2022-08-22 | Release date: | 2023-05-10 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes. Cell, 186, 2023
|
|
8E5G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e5g by Molmil](/molmil-images/mine/8e5g) | Cryo-EM of A. veneficus cytochrome filament | Descriptor: | HEME C, c-type cytochrome | Authors: | Wang, F, Baquero, D.P, Krupovic, M, Egelman, E.H. | Deposit date: | 2022-08-22 | Release date: | 2023-05-10 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes. Cell, 186, 2023
|
|
8DSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dsv by Molmil](/molmil-images/mine/8dsv) | The structure of NicA2 in complex with N-methylmyosmine | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent oxidoreductase, ... | Authors: | Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A. | Deposit date: | 2022-07-22 | Release date: | 2023-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme. Nat.Chem.Biol., 19, 2023
|
|
8DQ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dq8 by Molmil](/molmil-images/mine/8dq8) | The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S in complex with N-methylmyosmine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, Amine oxidase, ... | Authors: | Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A. | Deposit date: | 2022-07-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme. Nat.Chem.Biol., 19, 2023
|
|
8DQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dq7 by Molmil](/molmil-images/mine/8dq7) | |
7VKH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vkh by Molmil](/molmil-images/mine/7vkh) | |
5Y0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y0i by Molmil](/molmil-images/mine/5y0i) | Solution structure of arenicin-3 derivative N1 | Descriptor: | NZ17074(N1) | Authors: | Liu, X.H, Wang, J.H. | Deposit date: | 2017-07-17 | Release date: | 2017-07-26 | Method: | SOLUTION NMR | Cite: | Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis Sci Rep, 7, 2017
|
|
6N3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n3l by Molmil](/molmil-images/mine/6n3l) | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | Descriptor: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | Deposit date: | 2018-11-15 | Release date: | 2019-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett., 10, 2019
|
|
2HMF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hmf by Molmil](/molmil-images/mine/2hmf) | |
8F22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f22 by Molmil](/molmil-images/mine/8f22) | |
6N7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n7b by Molmil](/molmil-images/mine/6n7b) | Structure of the human JAK1 kinase domain with compound 38 | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6N79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n79 by Molmil](/molmil-images/mine/6n79) | Structure of the human JAK1 kinase domain with compound 20 | Descriptor: | GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6N3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n3n by Molmil](/molmil-images/mine/6n3n) | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | Descriptor: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | Deposit date: | 2018-11-15 | Release date: | 2019-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett., 10, 2019
|
|