4I7S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7s by Molmil](/molmil-images/mine/4i7s) | |
6RPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rpn by Molmil](/molmil-images/mine/6rpn) | Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308. | Descriptor: | (3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, Beta-lactamase VIM-2, ... | Authors: | Parkova, A, Lucic, A, Brem, J, McDonough, M.A, Langley, G.W, Schofield, C.J. | Deposit date: | 2019-05-14 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.409 Å) | Cite: | Broad Spectrum beta-Lactamase Inhibition by a Thioether Substituted Bicyclic Boronate. Acs Infect Dis., 6, 2020
|
|
6FNF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fnf by Molmil](/molmil-images/mine/6fnf) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with NVP-BHG712 | Descriptor: | 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.556 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
|
|
6FNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fnk by Molmil](/molmil-images/mine/6fnk) | Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712 | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-B receptor 4 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.049 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
|
|
5IER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ier by Molmil](/molmil-images/mine/5ier) | |
6FMF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fmf by Molmil](/molmil-images/mine/6fmf) | Neuropilin-1 b1 domain in complex with EG01377; 2.8 Angstrom structure | Descriptor: | (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1, trifluoroacetic acid | Authors: | Yelland, T, Djordjevic, S, Selwood, D, Zachary, I, Frankel, P. | Deposit date: | 2018-01-31 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.811 Å) | Cite: | Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells. J. Med. Chem., 61, 2018
|
|
6G96
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g96 by Molmil](/molmil-images/mine/6g96) | Crystal structure of TacT3 (tRNA acetylating toxin) from Salmonella | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, BICINE, ... | Authors: | Grabe, G.J, Rycroft, J.A, Gollan, B, Hall, A, Cheverton, A.M, Larrouy-Maumus, G, Hare, S.A, Helaine, S. | Deposit date: | 2018-04-10 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4766078 Å) | Cite: | Activity of acetyltransferase toxins involved in Salmonella persister formation during macrophage infection. Nat Commun, 9, 2018
|
|
6TZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tzj by Molmil](/molmil-images/mine/6tzj) | ADC-7 in complex with boronic acid transition state inhibitor ME_096 | Descriptor: | Beta-lactamase, GLYCINE, [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
|
|
1Q72
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1q72 by Molmil](/molmil-images/mine/1q72) | Anti-Cocaine Antibody M82G2 Complexed with Cocaine | Descriptor: | COCAINE, Fab M82G2, Heavy chain, ... | Authors: | Pozharski, E, Moulin, A, Hewagama, A, Shanafelt, A.B, Petsko, G.A, Ringe, D. | Deposit date: | 2003-08-15 | Release date: | 2003-08-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2. J.Mol.Biol., 349, 2005
|
|
6FV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fv2 by Molmil](/molmil-images/mine/6fv2) | |
6G2G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g2g by Molmil](/molmil-images/mine/6g2g) | Fe-S assembly Cfd1 | Descriptor: | Cytosolic Fe-S cluster assembly factor CFD1, IRON/SULFUR CLUSTER, SULFATE ION | Authors: | Jeoung, J.H, Dobbek, H. | Deposit date: | 2018-03-23 | Release date: | 2019-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Function and crystal structure of the dimeric P-loop ATPase CFD1 coordinating an exposed [4Fe-4S] cluster for transfer to apoproteins. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5KRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5krp by Molmil](/molmil-images/mine/5krp) | Frutapin, a lectin from Artocarpus incisa: Cloning, Expressing and Structural Analysis. | Descriptor: | Frutapin, GLYCEROL | Authors: | de Sousa, F.D, Coker, A.R, Guan, Y, Guo, J, de Oliveira Monteiro-Moreira, A.C, de Azevedo Moreira, R. | Deposit date: | 2016-07-07 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Frutapin, a lectin fromArtocarpus incisa(breadfruit): cloning, expression and molecular insights. Biosci. Rep., 37, 2017
|
|
6SRB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6srb by Molmil](/molmil-images/mine/6srb) | Crystal structure of glutathione transferase Omega 3C from Trametes versicolor | Descriptor: | GLUTATHIONE, Uncharacterized protein | Authors: | Schwartz, M, Favier, F, Didierjean, C. | Deposit date: | 2019-09-05 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Diversity of Omega Glutathione Transferases in mushroom-forming fungi revealed by phylogenetic, transcriptomic, biochemical and structural approaches. Fungal Genet Biol., 148, 2021
|
|
6RG4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rg4 by Molmil](/molmil-images/mine/6rg4) | Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzyl-4-methylpiperazin-1-yl)benzenesulfonamide | Descriptor: | 4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Ferraroni, M, Angeli, A, Supuran, C. | Deposit date: | 2019-04-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors. Bioorg.Chem., 91, 2019
|
|
6GN6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gn6 by Molmil](/molmil-images/mine/6gn6) | Alpha-L-fucosidase isoenzyme 1 from Paenibacillus thiaminolyticus | Descriptor: | Alpha-L-fucosidase, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ... | Authors: | Kovalova, T, Koval, T, Lipovova, P, Dohnalek, J. | Deposit date: | 2018-05-30 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Active site complementation and hexameric arrangement in the GH family 29; a structure-function study of alpha-l-fucosidase isoenzyme 1 from Paenibacillus thiaminolyticus. Glycobiology, 29, 2019
|
|
6RJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rj1 by Molmil](/molmil-images/mine/6rj1) | |
6GG4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gg4 by Molmil](/molmil-images/mine/6gg4) | Crystal structure of M2 PYK in complex with Phenyalanine. | Descriptor: | PHENYLALANINE, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | McNae, I.W, Yuan, M, Walkinshaw, M.D. | Deposit date: | 2018-05-02 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem. J., 475, 2018
|
|
6GJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gja by Molmil](/molmil-images/mine/6gja) | PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - H229A MUTANT | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-05-16 | Release date: | 2019-11-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants. Plant Commun., 3, 2022
|
|
6TZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tzi by Molmil](/molmil-images/mine/6tzi) | ADC-7 in complex with boronic acid transition state inhibitor PFC_001 | Descriptor: | Beta-lactamase, phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.744 Å) | Cite: | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
|
|
6TZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tzf by Molmil](/molmil-images/mine/6tzf) | ADC-7 in complex with boronic acid transition state inhibitor S17079 | Descriptor: | 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid, Beta-lactamase | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
|
|
6GQ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gq4 by Molmil](/molmil-images/mine/6gq4) | Neisseria gonorrhoeae Adhesin Complex Protein | Descriptor: | Adhesin, SODIUM ION | Authors: | Orr, C.M, Tews, I. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of the RecombinantNeisseria gonorrhoeaeAdhesin Complex Protein (rNg-ACP) and Generation of Murine Antibodies with Bactericidal Activity against Gonococci. mSphere, 3, 2018
|
|
6UNV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6unv by Molmil](/molmil-images/mine/6unv) | |
5KL0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kl0 by Molmil](/molmil-images/mine/5kl0) | Crystal Structure of Phosphoglucomutase from Xanthomonas citri citri complexed with Glucose-1,6-biphosphate | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, Phosphoglucomutase | Authors: | Goto, L.S, Pereira, H.M, Novo Mansur, M.T.M. | Deposit date: | 2016-06-23 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.853 Å) | Cite: | Structural and functional characterization of the phosphoglucomutase from Xanthomonas citri subsp. citri. Biochim.Biophys.Acta, 1864, 2016
|
|
6RHJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rhj by Molmil](/molmil-images/mine/6rhj) | Crystal structure of human carbonic anhydrase isozyme II with 4-(4-benzyl-1,4-diazepane-1-carbonyl)benzenesulfonamide | Descriptor: | 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Ferraroni, M, Angeli, A, Supuran, C.T. | Deposit date: | 2019-04-21 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors. Bioorg.Chem., 91, 2019
|
|
6GOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gou by Molmil](/molmil-images/mine/6gou) | Development of Alkyl Glycerone Phosphate Synthase Inhibitors: Complex with Inhibitor 2I | Descriptor: | (3~{S})-3-[2,6-bis(fluoranyl)phenyl]-~{N}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide, Alkyldihydroxyacetonephosphate synthase, peroxisomal, ... | Authors: | Mattevi, A, Piano, V. | Deposit date: | 2018-06-04 | Release date: | 2019-01-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells. Eur J Med Chem, 163, 2018
|
|