5ALA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ala by Molmil](/molmil-images/mine/5ala) | Structure of Leishmania major peroxidase D211R mutant (low res) | Descriptor: | ASCORBATE PEROXIDASE, CALCIUM ION, POTASSIUM ION, ... | Authors: | Chreifi, G, Hollingsworth, S.A, Li, H, Tripathi, S, Arce, A.P, Magana-Garcia, H.I, Poulos, T.L. | Deposit date: | 2015-03-07 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Enzymatic Mechanism of Leishmania major Peroxidase and the Critical Role of Specific Ionic Interactions. Biochemistry, 54, 2015
|
|
5AJP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ajp by Molmil](/molmil-images/mine/5ajp) | Crystal structure of the active form of GalNAc-T2 in complex with UDP and the glycopeptide MUC5AC-13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MANGANESE (II) ION, MUCIN, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
|
|
5V72
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v72 by Molmil](/molmil-images/mine/5v72) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with citrate | Descriptor: | CHLORIDE ION, CITRIC ACID, GLYCEROL, ... | Authors: | Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Matelska, D, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-03-17 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
|
|
2WEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wey by Molmil](/molmil-images/mine/2wey) | Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | Authors: | Andersen, O.A, Schonfeld, D.L, Toogood-Johnson, I, Felicetti, B, Albrecht, C, Fryatt, T, Whittaker, M, Hallett, D, Barker, J. | Deposit date: | 2009-04-02 | Release date: | 2009-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure. Acta Crystallogr.,Sect.D, 65, 2009
|
|
2W6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w6u by Molmil](/molmil-images/mine/2w6u) | Structures of P. aeruginosa FpvA bound to heterologous pyoverdines: FpvA-Pvd(G173)-Fe complex | Descriptor: | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, FE (III) ION, ... | Authors: | Greenwald, J, Nader, M, Celia, H, Gruffaz, C, Meyer, J.-M, Schalk, I.J, Pattus, F. | Deposit date: | 2008-12-19 | Release date: | 2009-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Fpva Bound to Non-Cognate Pyoverdines: Molecular Basis of Siderophore Recognition by an Iron Transporter. Mol.Microbiol., 72, 2009
|
|
6E9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e9p by Molmil](/molmil-images/mine/6e9p) | Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD0059 bound | Descriptor: | (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-08-01 | Release date: | 2018-08-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.569 Å) | Cite: | Crystal structure of tryptophan synthase from M. tuberculosis - closed form with BRD6309 bound To be Published
|
|
5UOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uog by Molmil](/molmil-images/mine/5uog) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in apo form | Descriptor: | NADPH-dependent glyoxylate/hydroxypyruvate reductase, SULFATE ION | Authors: | Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-01-31 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
|
|
1K44
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k44 by Molmil](/molmil-images/mine/1k44) | |
2W6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w6t by Molmil](/molmil-images/mine/2w6t) | Structures of P. aeruginosa FpvA bound to heterologous pyoverdines: FpvA-Pvd(DSM50106)-Fe complex | Descriptor: | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, FE (III) ION, ... | Authors: | Greenwald, J, Nader, M, Celia, H, Gruffaz, C, Meyer, J.-M, Schalk, I.J, Pattus, F. | Deposit date: | 2008-12-19 | Release date: | 2009-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Fpva Bound to Non-Cognate Pyoverdines: Molecular Basis of Siderophore Recognition by an Iron Transporter. Mol.Microbiol., 72, 2009
|
|
8GF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gf3 by Molmil](/molmil-images/mine/8gf3) | Crystallographic structure from BlMan5_7 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GH5 Mannanase, ... | Authors: | Briganti, L, Araujo, E.A, Polikarpov, I. | Deposit date: | 2023-03-07 | Release date: | 2024-04-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Unravelling biochemical and structural features of Bacillus licheniformis GH5 mannanase using site-directed mutagenesis and high-resolution protein crystallography studies. Int.J.Biol.Macromol., 274, 2024
|
|
5T1Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t1q by Molmil](/molmil-images/mine/5t1q) | 2.15 Angstrom Crystal Structure of N-acetylmuramoyl-L-alanine Amidase from Staphylococcus aureus. | Descriptor: | N-acetylmuramoyl-L-alanine amidase domain-containing protein SAOUHSC_02979, SODIUM ION, TRIETHYLENE GLYCOL | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Bagnoli, F, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-08-19 | Release date: | 2017-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 2.15 Angstrom Crystal Structure of N-acetylmuramoyl-L-alanine Amidase from Staphylococcus aureus. To Be Published
|
|
1K4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k4i by Molmil](/molmil-images/mine/1k4i) | Crystal Structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase in complex with two Magnesium ions | Descriptor: | 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase, MAGNESIUM ION, SULFATE ION | Authors: | Liao, D.-I, Zheng, Y.-J, Viitanen, P.V, Jordan, D.B. | Deposit date: | 2001-10-08 | Release date: | 2002-03-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structural definition of the active site and catalytic mechanism of 3,4-dihydroxy-2-butanone-4-phosphate synthase. Biochemistry, 41, 2002
|
|
5T28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t28 by Molmil](/molmil-images/mine/5t28) | mPI3Kd IN COMPLEX WITH 5k | Descriptor: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | Deposit date: | 2016-08-23 | Release date: | 2017-04-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5V13
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v13 by Molmil](/molmil-images/mine/5v13) | Mosquito juvenile hormone-binding protein | Descriptor: | AAEL008620-PA odorant-binding protein, methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate | Authors: | Andersen, J.F, Kim, I.H. | Deposit date: | 2017-03-01 | Release date: | 2017-08-09 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A mosquito hemolymph odorant-binding protein family member specifically binds juvenile hormone. J. Biol. Chem., 292, 2017
|
|
6EMG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6emg by Molmil](/molmil-images/mine/6emg) | |
2W77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w77 by Molmil](/molmil-images/mine/2w77) | Structures of P. aeruginosa FpvA bound to heterologous pyoverdines: FpvA-Pvd(Pfl18.1)-Fe complex | Descriptor: | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, FE (III) ION, ... | Authors: | Greenwald, J, Nader, M, Celia, H, Gruffaz, C, Meyer, J.-M, Schalk, I.J, Pattus, F. | Deposit date: | 2008-12-20 | Release date: | 2009-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Fpva Bound to Non-Cognate Pyoverdines: Molecular Basis of Siderophore Recognition by an Iron Transporter. Mol.Microbiol., 72, 2009
|
|
4JIN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jin by Molmil](/molmil-images/mine/4jin) | X-ray crystal structure of Archaeoglobus fulgidus Rio1 bound to (2E)-N-benzyl-2-cyano-3-(pyridine-4-yl)acrylamide (WP1086) | Descriptor: | (2E)-N-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide, RIO-type serine/threonine-protein kinase Rio1 | Authors: | Mielecki, M, Krawiec, K, Kiburu, I, Grzelak, K, Wlodzimierz, Z, Kierdaszuk, B, Kowa, K, Fokt, I, Szymanski, S, Piotr, S, Szeja, W, Priebe, W, Lesyng, B, LaRonde-LeBlanc, N. | Deposit date: | 2013-03-06 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Development of novel molecular probes of the Rio1 atypical protein kinase. Biochim.Biophys.Acta, 1834, 2013
|
|
5AJN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ajn by Molmil](/molmil-images/mine/5ajn) | Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-Cys13 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
|
|
5S74
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5s74 by Molmil](/molmil-images/mine/5s74) | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-23 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | PanDDA analysis group deposition of ground-state model of SARS-CoV-2 Nsp3 macrodomain To Be Published
|
|
1K4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k4l by Molmil](/molmil-images/mine/1k4l) | Crystal Structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase in complex with two Manganese ions | Descriptor: | 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase, MANGANESE (II) ION, SULFATE ION | Authors: | Liao, D.-I, Zheng, Y.-J, Viitanen, P.V, Jordan, D.B. | Deposit date: | 2001-10-08 | Release date: | 2002-03-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural definition of the active site and catalytic mechanism of 3,4-dihydroxy-2-butanone-4-phosphate synthase. Biochemistry, 41, 2002
|
|
1K5J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k5j by Molmil](/molmil-images/mine/1k5j) | The Crystal Structure of Nucleoplasmin-Core | Descriptor: | Nucleoplasmin Core | Authors: | Dutta, S, Akey, I.V, Dingwall, C, Hartman, K.L, Laue, T, Nolte, R.T, Head, J.F, Akey, C.W. | Deposit date: | 2001-10-10 | Release date: | 2001-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of nucleoplasmin-core: implications for histone binding and nucleosome assembly. Mol.Cell, 8, 2001
|
|
8H50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h50 by Molmil](/molmil-images/mine/8h50) | |
8H4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h4z by Molmil](/molmil-images/mine/8h4z) | |
5WK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wk4 by Molmil](/molmil-images/mine/5wk4) | Crystal structure of an anti-idiotype VLR | Descriptor: | MAGNESIUM ION, Variable lymphocyte receptor 39 | Authors: | Collins, B.C, Nakahara, H, Cooper, M.D, Herrin, B.R, Wilson, I.A. | Deposit date: | 2017-07-24 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Crystal structure of an anti-idiotype variable lymphocyte receptor. Acta Crystallogr F Struct Biol Commun, 73, 2017
|
|
5A5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a5x by Molmil](/molmil-images/mine/5a5x) | |