2VEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vec by Molmil](/molmil-images/mine/2vec) | The crystal structure of the protein YhaK from Escherichia coli | Descriptor: | CHLORIDE ION, PIRIN-LIKE PROTEIN YHAK | Authors: | Gurmu, D, Lu, J, Johnson, K.A, Nordlund, P, Holmgren, A, Erlandsen, H. | Deposit date: | 2007-10-18 | Release date: | 2008-07-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Crystal Structure of the Protein Yhak from Escherichia Coli Reveals a New Subclass of Redox Sensitive Enterobacterial Bicupins. Proteins, 74, 2008
|
|
3AG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ag5 by Molmil](/molmil-images/mine/3ag5) | Crystal Structure of Pantothenate Synthetase from Staphylococcus aureus | Descriptor: | Pantothenate synthetase | Authors: | Satoh, A, Konishi, S, Tamura, H, Stickland, H.G, Whitney, H.M, Smith, A.G, Matsumura, H, Inoue, T. | Deposit date: | 2010-03-19 | Release date: | 2010-07-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Substrate-induced closing of the active site revealed by the crystal structure of pantothenate synthetase from Staphylococcus aureus. Biochemistry, 49, 2010
|
|
4YM3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ym3 by Molmil](/molmil-images/mine/4ym3) | |
4YM0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ym0 by Molmil](/molmil-images/mine/4ym0) | |
4YM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ym1 by Molmil](/molmil-images/mine/4ym1) | |
4YM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ym2 by Molmil](/molmil-images/mine/4ym2) | |
7Z0P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z0p by Molmil](/molmil-images/mine/7z0p) | SARS-COV2 Main Protease in complex with inhibitor MG-131 | Descriptor: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-02-23 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
|
|
3TB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tb0 by Molmil](/molmil-images/mine/3tb0) | |
1MLW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mlw by Molmil](/molmil-images/mine/1mlw) | Crystal structure of human tryptophan hydroxylase with bound 7,8-dihydro-L-biopterin cofactor and Fe(III) | Descriptor: | 7,8-DIHYDROBIOPTERIN, FE (III) ION, Tryptophan 5-monooxygenase | Authors: | Wang, L, Erlandsen, H, Haavik, J, Knappskog, P.M, Stevens, R.C. | Deposit date: | 2002-08-31 | Release date: | 2002-12-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Three-dimensional structure of human tryptophan hydroxylase and its implications for the biosynthesis of the neurotransmitters serotonin and melatonin Biochemistry, 41, 2002
|
|
4YLZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ylz by Molmil](/molmil-images/mine/4ylz) | |
4DJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4djb by Molmil](/molmil-images/mine/4djb) | A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors | Descriptor: | E4-ORF3 | Authors: | Ou, H.D, Kwiatkowski, W, Deerinck, T.J, Noske, A, Blain, K.Y, Land, H.S, Soria, C, Powers, C.J, May, A.P, Shu, X, Tsien, R.Y, Fitzpatrick, J.A.J, Long, J.A, Ellisman, M.H, Choe, S, O'Shea, C.C. | Deposit date: | 2012-02-01 | Release date: | 2012-10-31 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.053 Å) | Cite: | A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors. Cell(Cambridge,Mass.), 151, 2012
|
|
5DUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5duv by Molmil](/molmil-images/mine/5duv) | Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with lactose | Descriptor: | ACETATE ION, CALCIUM ION, Galectin-4, ... | Authors: | Bum-Erdene, K, Blanchard, H. | Deposit date: | 2015-09-21 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterisation of human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol, lactose, 3'-sulfo-lactose, and 2'-fucosyllactose. Sci Rep, 6, 2016
|
|
5E8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e8a by Molmil](/molmil-images/mine/5e8a) | Crystal structure of Human galectin-3 CRD in complex with 4-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor | Descriptor: | 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | Authors: | Collins, P.M, Blanchard, H. | Deposit date: | 2015-10-13 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition. Chembiochem, 17, 2016
|
|
5E89
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e89 by Molmil](/molmil-images/mine/5e89) | Crystal structure of Human galectin-3 CRD in complex with 3-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | Authors: | Collins, P.M, Blanchard, H. | Deposit date: | 2015-10-13 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition. Chembiochem, 17, 2016
|
|
5DUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5duw by Molmil](/molmil-images/mine/5duw) | |
6F83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f83 by Molmil](/molmil-images/mine/6f83) | Crystal Structure of Human Galectin-1 in Complex With Thienyl-1,2, 3-triazolyl Thiodigalactoside Inhibitor | Descriptor: | 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside, Galectin-1 | Authors: | Collins, P.M, Blanchard, H. | Deposit date: | 2017-12-12 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aromatic heterocycle galectin-1 interactions for selective single-digit nM affinity ligands To be published
|
|
5DUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dux by Molmil](/molmil-images/mine/5dux) | Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with 2'-fucosyllactose | Descriptor: | FORMIC ACID, GLYCEROL, Galectin-4, ... | Authors: | Bum-Erdene, K, Blanchard, H. | Deposit date: | 2015-09-21 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural characterisation of human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol, lactose, 3'-sulfo-lactose, and 2'-fucosyllactose. Sci Rep, 6, 2016
|
|
5DUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5duu by Molmil](/molmil-images/mine/5duu) | |
5E88
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e88 by Molmil](/molmil-images/mine/5e88) | Crystal structure of Human galectin-3 CRD in complex with thienyl-1,2,3-triazolyl thiodigalactoside inhibitor | Descriptor: | 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | Authors: | Collins, P.M, Blanchard, H. | Deposit date: | 2015-10-13 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition. Chembiochem, 17, 2016
|
|
3AG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ag6 by Molmil](/molmil-images/mine/3ag6) | Crystal Structure of Pantothenate Synthetase from Staphylococcus aureus in complex with pantoyl adenylate | Descriptor: | ACETIC ACID, PANTOYL ADENYLATE, Pantothenate synthetase, ... | Authors: | Satoh, A, Konishi, S, Tamura, H, Stickland, H.G, Whitney, H.M, Smith, A.G, Matsumura, H, Inoue, T. | Deposit date: | 2010-03-19 | Release date: | 2010-07-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substrate-induced closing of the active site revealed by the crystal structure of pantothenate synthetase from Staphylococcus aureus. Biochemistry, 49, 2010
|
|
2W17
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w17 by Molmil](/molmil-images/mine/2w17) | CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b | Descriptor: | ACETATE ION, CELL DIVISION PROTEIN KINASE 2, N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine | Authors: | Jones, C.D, Andrews, D.M, Barker, A.J, Blades, K, Daunt, P, East, S, Geh, C, Graham, M.A, Johnson, K.M, Loddick, S.A, McFarland, H.M, McGregor, A, Moss, L, Rudge, D.A, Simpson, P.B, Swain, M.L, Tam, K.Y, Tucker, J.A, Walker, M, Brassington, C, Haye, H, McCall, E. | Deposit date: | 2008-10-15 | Release date: | 2008-11-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Discovery of Azd5597, a Potent Imidazole Pyrimidine Amide Cdk Inhibitor Suitable for Intravenous Dosing. Bioorg.Med.Chem.Lett., 18, 2008
|
|
5CAZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5caz by Molmil](/molmil-images/mine/5caz) | Crystallographic structure of apo human rotavirus K8 VP8* | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Outer capsid protein VP4, ... | Authors: | Yu, X, Blanchard, H. | Deposit date: | 2015-06-30 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Substantial Receptor-induced Structural Rearrangement of Rotavirus VP8*: Potential Implications for Cross-Species Infection. Chembiochem, 16, 2015
|
|
5CB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cb7 by Molmil](/molmil-images/mine/5cb7) | |
5CA6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ca6 by Molmil](/molmil-images/mine/5ca6) | |
4JC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jc1 by Molmil](/molmil-images/mine/4jc1) | |