1L39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l39 by Molmil](/molmil-images/mine/1l39) | |
1L46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l46 by Molmil](/molmil-images/mine/1l46) | |
1L42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l42 by Molmil](/molmil-images/mine/1l42) | |
1L54
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l54 by Molmil](/molmil-images/mine/1l54) | |
1EQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1eqt by Molmil](/molmil-images/mine/1eqt) | MET-RANTES | Descriptor: | SULFATE ION, T-CELL SPECIFIC RANTES PROTEIN | Authors: | Hoover, D.M, Shaw, J, Gryczynski, Z, Proudfoot, A.E.I, Wells, T. | Deposit date: | 2000-04-06 | Release date: | 2000-04-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of MET-RANTES: Comparison with Native RANTES and AOP-RANTES PROTEIN PEPT.LETT., 7, 2000
|
|
6TWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6twa by Molmil](/molmil-images/mine/6twa) | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state | Descriptor: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | Authors: | Pippel, J, Strater, N. | Deposit date: | 2020-01-12 | Release date: | 2020-02-19 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
|
|
6TW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tw0 by Molmil](/molmil-images/mine/6tw0) | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12690 (an AOPCP derivative, compound 10 in publication) in the closed state | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | Authors: | Pippel, J, Strater, N. | Deposit date: | 2020-01-10 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
|
|
6TWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6twf by Molmil](/molmil-images/mine/6twf) | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12604 (an AOPCP derivative, compound 21 in publication) in the closed state | Descriptor: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | Authors: | Pippel, J, Strater, N. | Deposit date: | 2020-01-13 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
|
|
6TVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tvx by Molmil](/molmil-images/mine/6tvx) | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12676 (an AOPCP derivative, compound 9 in paper) in the closed state | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | Authors: | Pippel, J, Strater, N. | Deposit date: | 2020-01-10 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
|
|
4AOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4aop by Molmil](/molmil-images/mine/4aop) | |
2AOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aop by Molmil](/molmil-images/mine/2aop) | SULFITE REDUCTASE: REDUCED WITH CRII EDTA, SIROHEME FEII, [4FE-4S] +1, PHOSPHATE BOUND | Descriptor: | IRON/SULFUR CLUSTER, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Crane, B.R, Getzoff, E.D. | Deposit date: | 1997-07-09 | Release date: | 1998-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange. Biochemistry, 36, 1997
|
|
3AOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3aop by Molmil](/molmil-images/mine/3aop) | SULFITE REDUCTASE HEMOPROTEIN PHOTOREDUCED WITH PROFLAVINE EDTA, SIROHEME FEII,[4FE-4S] +1, PHOSPHATE BOUND | Descriptor: | IRON/SULFUR CLUSTER, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Crane, B.R, Getzoff, E.D. | Deposit date: | 1997-07-09 | Release date: | 1998-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange. Biochemistry, 36, 1997
|
|
7AOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aop by Molmil](/molmil-images/mine/7aop) | Structure of NUDT15 in complex with inhibitor TH8321 | Descriptor: | 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | Deposit date: | 2020-10-14 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir. Cell Chem Biol, 28, 2021
|
|
5AOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aop by Molmil](/molmil-images/mine/5aop) | SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1 | Descriptor: | IRON/SULFUR CLUSTER, POTASSIUM ION, SIROHEME, ... | Authors: | Crane, B.R, Getzoff, E.D. | Deposit date: | 1997-07-10 | Release date: | 1998-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange. Biochemistry, 36, 1997
|
|
8AOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aop by Molmil](/molmil-images/mine/8aop) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 14r | Descriptor: | (3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Maiwald, S, Heim, C, Hartmann, M.D. | Deposit date: | 2022-08-08 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines. Eur.J.Med.Chem., 246, 2023
|
|
1AOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aop by Molmil](/molmil-images/mine/1aop) | |
6AOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6aop by Molmil](/molmil-images/mine/6aop) | |
1H4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1h4o by Molmil](/molmil-images/mine/1h4o) | Monoclinic form of human peroxiredoxin 5 | Descriptor: | BENZOIC ACID, PEROXIREDOXIN 5 | Authors: | Declercq, J.P, Evrard, C. | Deposit date: | 2001-05-11 | Release date: | 2001-10-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Human Peroxiredoxin 5, a Novel Type of Mammalian Peroxiredoxin at 1.5 A Resolution J.Mol.Biol., 311, 2001
|
|
4G38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g38 by Molmil](/molmil-images/mine/4g38) | |
4G39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g39 by Molmil](/molmil-images/mine/4g39) | |
7QDA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qda by Molmil](/molmil-images/mine/7qda) | Crystal structure of CalpL | Descriptor: | CalpL, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Schneberger, N, Hagelueken, G. | Deposit date: | 2021-11-26 | Release date: | 2022-11-16 | Last modified: | 2023-02-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antiviral signalling by a cyclic nucleotide activated CRISPR protease. Nature, 614, 2023
|
|
4D73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d73 by Molmil](/molmil-images/mine/4d73) | X-ray structure of a peroxiredoxin | Descriptor: | 1-CYS PEROXIREDOXIN | Authors: | Staudacher, V, Djuika, C.F, Koduka, J, Schlossarek, S, Kopp, J, Buechler, M, Lanzer, M, Deponte, M. | Deposit date: | 2014-11-19 | Release date: | 2015-05-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Plasmodium Falciparum Antioxidant Protein Reveals a Novel Mechanism for Balancing Turnover and Inactivation of Peroxiredoxins Free Radic.Biol.Med., 85, 2015
|
|
4X5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x5s by Molmil](/molmil-images/mine/4x5s) | The crystal structure of an alpha carbonic anhydrase from the extremophilic bacterium Sulfurihydrogenibium azorense. | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase (Carbonate dehydratase), ... | Authors: | De Simone, G, Alterio, V, Di Fiore, A. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense. Bioorg.Med.Chem.Lett., 25, 2015
|
|
5LZM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lzm by Molmil](/molmil-images/mine/5lzm) | COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | Authors: | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | Deposit date: | 1991-01-25 | Release date: | 1992-07-15 | Last modified: | 2021-06-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths. Proteins, 10, 1991
|
|
8BNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bns by Molmil](/molmil-images/mine/8bns) | |