5TRL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5trl by Molmil](/molmil-images/mine/5trl) | |
5KL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kl7 by Molmil](/molmil-images/mine/5kl7) | Wilms Tumor Protein (WT1) ZnF2-4Q369R in complex with carboxylated DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | Authors: | Hashimoto, H, Cheng, X. | Deposit date: | 2016-06-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.579 Å) | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications. Nucleic Acids Res., 44, 2016
|
|
8K5J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k5j by Molmil](/molmil-images/mine/8k5j) | The structure of SenA in complex with N,N,N-trimethyl-histidine | Descriptor: | FE (III) ION, GLYCEROL, N,N,N-trimethyl-histidine, ... | Authors: | Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-07-21 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis. Int.J.Biol.Macromol., 256, 2023
|
|
8K5I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k5i by Molmil](/molmil-images/mine/8k5i) | The structure of SenA in complex with N,N,N-trimethyl-histidine and thioglucose | Descriptor: | 1-thio-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | Authors: | Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-07-21 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis. Int.J.Biol.Macromol., 256, 2023
|
|
8K5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k5k by Molmil](/molmil-images/mine/8k5k) | The structure of SenA | Descriptor: | FE (III) ION, GLYCEROL, selenoneine synthase SenA | Authors: | Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-07-21 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis. Int.J.Biol.Macromol., 256, 2023
|
|
5GM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gm4 by Molmil](/molmil-images/mine/5gm4) | Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellotetrose | Descriptor: | Endoglucanase-1, SULFATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-07-12 | Release date: | 2017-05-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50 Biochem. Biophys. Res. Commun., 478, 2016
|
|
5GM3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gm3 by Molmil](/molmil-images/mine/5gm3) | Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 | Descriptor: | CACODYLATE ION, Endoglucanase-1, ZINC ION | Authors: | Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-07-12 | Release date: | 2017-05-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50 Biochem. Biophys. Res. Commun., 478, 2016
|
|
5GM5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gm5 by Molmil](/molmil-images/mine/5gm5) | Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellobiose | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoglucanase-1, SULFATE ION, ... | Authors: | Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-07-12 | Release date: | 2017-05-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50 Biochem. Biophys. Res. Commun., 478, 2016
|
|
4R28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r28 by Molmil](/molmil-images/mine/4r28) | |
4XZ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xz7 by Molmil](/molmil-images/mine/4xz7) | Crystal structure of a TGase | Descriptor: | Putative uncharacterized protein | Authors: | Yu, J, Ge, J, Yang, M. | Deposit date: | 2015-02-04 | Release date: | 2015-06-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Functional and Structural Characterization of the Antiphagocytic Properties of a Novel Transglutaminase from Streptococcus suis J.Biol.Chem., 290, 2015
|
|
5GQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gqq by Molmil](/molmil-images/mine/5gqq) | Structure of ALG-2/HEBP2 Complex | Descriptor: | CALCIUM ION, CHLORIDE ION, Heme-binding protein 2, ... | Authors: | Liu, X, Ma, J, Zhang, H, Feng, Y. | Deposit date: | 2016-08-08 | Release date: | 2016-11-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Functional Study of Apoptosis-linked Gene-2Heme-binding Protein 2 Interactions in HIV-1 Production. J. Biol. Chem., 291, 2016
|
|
5ZE6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ze6 by Molmil](/molmil-images/mine/5ze6) | CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981 | Descriptor: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2018-02-26 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
|
|
5XWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xwz by Molmil](/molmil-images/mine/5xwz) | Crystal structure of a lactonase from Cladophialophora bantiana | Descriptor: | GLYCEROL, MALONATE ION, SODIUM ION, ... | Authors: | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-06-30 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Characterization and crystal structure of a novel zearalenone hydrolase from Cladophialophora bantiana Acta Crystallogr F Struct Biol Commun, 73, 2017
|
|
7YHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yhd by Molmil](/molmil-images/mine/7yhd) | Crystal structure of VIM-2 MBL in complex with 3-(4-(4-(2-aminoethoxy)phenyl)-1H-1,2,3-triazol-1-yl)phthalic acid | Descriptor: | 3-[4-[4-(2-azanylethoxy)phenyl]-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2022-07-13 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 257, 2023
|
|
7YHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yhb by Molmil](/molmil-images/mine/7yhb) | Crystal structure of VIM-2 MBL in complex with (2-(4-phenyl-1H-1,2,3-triazol-1-yl)benzyl)phosphonic acid | Descriptor: | Beta-lactamase class B VIM-2, ZINC ION, [2-(4-phenyl-1,2,3-triazol-1-yl)phenyl]methylphosphonic acid | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2022-07-13 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 257, 2023
|
|
7YH9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yh9 by Molmil](/molmil-images/mine/7yh9) | Crystal structure of IMP-1 MBL in complex with 3-(4-benzyl-1H-1,2,3-triazol-1-yl)phthalic acid | Descriptor: | 3-[4-(phenylmethyl)-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B IMP-1, ZINC ION | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2022-07-13 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 257, 2023
|
|
7YHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yhc by Molmil](/molmil-images/mine/7yhc) | Crystal structure of VIM-2 MBL in complex with 3-(4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl)phthalic acid | Descriptor: | 3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2022-07-13 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 257, 2023
|
|
7YHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yha by Molmil](/molmil-images/mine/7yha) | Crystal structure of IMP-1 MBL in complex with (3-(4-(p-tolyl)-1H-1,2,3-triazol-1-yl)benzyl)phosphonic acid | Descriptor: | Beta-lactamase class B IMP-1, ZINC ION, [3-[4-(4-methylphenyl)-1,2,3-triazol-1-yl]phenyl]methylphosphonic acid | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2022-07-13 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.135 Å) | Cite: | Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 257, 2023
|
|
4M9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m9e by Molmil](/molmil-images/mine/4m9e) | Structure of Klf4 zinc finger DNA binding domain in complex with methylated DNA | Descriptor: | ACETATE ION, DNA (5'-D(*GP*AP*GP*GP*(5CM)P*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*(5CM)P*GP*CP*CP*TP*C)-3'), ... | Authors: | Liu, Y, Olanrewaju, Y.O, Blumenthal, R.M, Zhang, X, Cheng, X. | Deposit date: | 2013-08-14 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Structural basis for Klf4 recognition of methylated DNA. Nucleic Acids Res., 42, 2014
|
|
8F9A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f9a by Molmil](/molmil-images/mine/8f9a) | Compound 11 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
|
|
8F97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f97 by Molmil](/molmil-images/mine/8f97) | Compound 5 bound to procaspase-6 | Descriptor: | 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ... | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
|
|
8F99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f99 by Molmil](/molmil-images/mine/8f99) | Compound 10 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
|
|
8F9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f9b by Molmil](/molmil-images/mine/8f9b) | Compound 19 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
|
|
8F9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f9c by Molmil](/molmil-images/mine/8f9c) | Compound 20 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
|
|
8F9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f9d by Molmil](/molmil-images/mine/8f9d) | Compound 21 bound to procaspase-6 | Descriptor: | 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
|
|