2WC4
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![BU of 2wc4 by Molmil](/molmil-images/mine/2wc4) | Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-thia-(+)-castanospermine | Descriptor: | (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | Deposit date: | 2009-03-08 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring. Org.Biomol.Chem., 7, 2009
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5JDV
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![BU of 5jdv by Molmil](/molmil-images/mine/5jdv) | Human carbonic anhydrase II (F131W) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5JEH
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![BU of 5jeh by Molmil](/molmil-images/mine/5jeh) | Human carbonic anhydrase II (L198A) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-18 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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4LN4
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![BU of 4ln4 by Molmil](/molmil-images/mine/4ln4) | The crystal structure of hemagglutinin form a h7n9 influenza virus (a/shanghai/1/2013) in complex with lstb | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J. | Deposit date: | 2013-07-11 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Analysis of the Hemagglutinin from the Recent 2013 H7N9 Influenza Virus. J.Virol., 87, 2013
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4LN3
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![BU of 4ln3 by Molmil](/molmil-images/mine/4ln3) | The crystal structure of hemagglutinin from a H7N9 influenza virus (A/Shanghai/1/2013) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J. | Deposit date: | 2013-07-11 | Release date: | 2013-10-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Analysis of the Hemagglutinin from the Recent 2013 H7N9 Influenza Virus. J.Virol., 87, 2013
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2UYX
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![BU of 2uyx by Molmil](/molmil-images/mine/2uyx) | metallo-beta-lactamase (1BC2) single point mutant D120S | Descriptor: | BETA-LACTAMASE II, GLYCEROL, ZINC ION | Authors: | Larrull, L.I, Fabiane, S.M, Kowalski, J.M, Bennett, B, Sutton, B.J, Vila, A.J. | Deposit date: | 2007-04-20 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Asp-120 locates Zn2 for optimal metallo-beta-lactamase activity. J. Biol. Chem., 282, 2007
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2UWC
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![BU of 2uwc by Molmil](/molmil-images/mine/2uwc) | Crystal structure of Nasturtium xyloglucan hydrolase isoform NXG2 | Descriptor: | CELLULASE | Authors: | Baumann, M.J, Eklof, J.M, Michel, G, Kallas, A, Teeri, T.T, Brumer, H, Czjzek, M. | Deposit date: | 2007-03-20 | Release date: | 2007-06-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Evidence for the Evolution of Xyloglucanase Activity from Xyloglucan Endo-Transglycosylases: Biological Implications for Cell Wall Metabolism. Plant Cell, 19, 2007
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4LP7
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![BU of 4lp7 by Molmil](/molmil-images/mine/4lp7) | |
5J33
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![BU of 5j33 by Molmil](/molmil-images/mine/5j33) | Isopropylmalate dehydrogenase in complex with NAD+ | Descriptor: | 3-isopropylmalate dehydrogenase 2, chloroplastic, MAGNESIUM ION, ... | Authors: | Jez, J.M, Lee, S.G. | Deposit date: | 2016-03-30 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.492 Å) | Cite: | Structure and Mechanism of Isopropylmalate Dehydrogenase from Arabidopsis thaliana: INSIGHTS ON LEUCINE AND ALIPHATIC GLUCOSINOLATE BIOSYNTHESIS. J.Biol.Chem., 291, 2016
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5JNF
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![BU of 5jnf by Molmil](/molmil-images/mine/5jnf) | |
5J6Z
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![BU of 5j6z by Molmil](/molmil-images/mine/5j6z) | |
4L01
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![BU of 4l01 by Molmil](/molmil-images/mine/4l01) | |
2V8O
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![BU of 2v8o by Molmil](/molmil-images/mine/2v8o) | Structure of the Murray Valley encephalitis virus RNA helicase to 1. 9A resolution | Descriptor: | FLAVIVIRIN PROTEASE NS3 | Authors: | Mancini, E.J, Assenberg, R, Verma, A, Walter, T.S, Tuma, R, Grimes, J.M, Owens, R.J, Stuart, D.I. | Deposit date: | 2007-08-09 | Release date: | 2007-08-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Murray Valley Encephalitis Virus RNA Helicase at 1.9 A Resolution. Protein Sci., 16, 2007
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2VQP
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![BU of 2vqp by Molmil](/molmil-images/mine/2vqp) | Structure of the matrix protein from human Respiratory Syncytial Virus | Descriptor: | ACETATE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Money, V.A, McPhee, H.K, Sanderson, J.M, Yeo, R.P. | Deposit date: | 2008-03-18 | Release date: | 2009-02-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Surface Features of a Mononegavirales Matrix Protein Indicate Sites of Membrane Interaction. Proc.Natl.Acad.Sci.USA, 106, 2009
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2VVY
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![BU of 2vvy by Molmil](/molmil-images/mine/2vvy) | Structure of Vaccinia virus protein B14 | Descriptor: | PROTEIN B15 | Authors: | Graham, S.C, Bahar, M.W, Cooray, S, Chen, R.A.-J, Whalen, D.M, Abrescia, N.G.A, Alderton, D, Owens, R.J, Stuart, D.I, Smith, G.L, Grimes, J.M. | Deposit date: | 2008-06-12 | Release date: | 2008-08-26 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | Vaccinia Virus Proteins A52 and B14 Share a Bcl-2-Like Fold But Have Evolved to Inhibit NF-kappaB Rather Than Apoptosis Plos Pathog., 4, 2008
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2VWR
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![BU of 2vwr by Molmil](/molmil-images/mine/2vwr) | Crystal structure of the second pdz domain of numb-binding protein 2 | Descriptor: | LIGAND OF NUMB PROTEIN X 2 | Authors: | Roos, A.K, Guo, K, Burgess-Brown, N, Yue, W.W, Elkins, J.M, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C.H, Wikstom, M, Edwards, A, von Delft, F, Bountra, C, Doyle, D, Oppermann, U. | Deposit date: | 2008-06-26 | Release date: | 2008-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structure of the Second Pdz Domain of the Human Numb-Binding Protein 2 To be Published
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2VWD
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![BU of 2vwd by Molmil](/molmil-images/mine/2vwd) | Nipah Virus Attachment Glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-BUTYROLACTONE, ... | Authors: | Bowden, T.A, Crispin, M, Harvey, D.J, Aricescu, A.R, Grimes, J.M, Jones, E.Y, Stuart, D.I. | Deposit date: | 2008-06-20 | Release date: | 2008-10-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure and Carbohydrate Analysis of Nipah Virus Attachment Glycoprotein: A Template for Antiviral and Vaccine Design. J.Virol., 82, 2008
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5K9D
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![BU of 5k9d by Molmil](/molmil-images/mine/5k9d) | Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. | Deposit date: | 2016-05-31 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia. ACS Med Chem Lett, 7, 2016
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2W2F
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![BU of 2w2f by Molmil](/molmil-images/mine/2w2f) | CRYSTAL STRUCTURE OF SINGLE POINT MUTANT ARG48GLN OF P-COUMARIC ACID DECARBOXYLASE FROM LACTOBACILLUS PLANTARUM STRUCTURAL INSIGHTS INTO THE ACTIVE SITE AND DECARBOXYLATION CATALYTIC MECHANISM | Descriptor: | BARIUM ION, P-COUMARIC ACID DECARBOXYLASE | Authors: | Rodriguez, H, Angulo, I, De Las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M. | Deposit date: | 2008-10-29 | Release date: | 2010-02-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism. Proteins, 78, 2010
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5K9C
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![BU of 5k9c by Molmil](/molmil-images/mine/5k9c) | Crystal structure of human dihydroorotate dehydrogenase with ML390 | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. | Deposit date: | 2016-05-31 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia. ACS Med Chem Lett, 7, 2016
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2W0U
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![BU of 2w0u by Molmil](/molmil-images/mine/2w0u) | CRYSTAL STRUCTURE OF HUMAN GLYCOLATE OXIDASE IN COMPLEX WITH THE INHIBITOR 5-[(4-CHLOROPHENYL)SULFANYL]- 1,2,3-THIADIAZOLE-4-CARBOXYLATE. | Descriptor: | 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate, FLAVIN MONONUCLEOTIDE, HYDROXYACID OXIDASE 1 | Authors: | Bourhis, J.M, Lindqvist, Y. | Deposit date: | 2008-10-10 | Release date: | 2009-11-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structure of Human Glycolate Oxidase in Complex with the Inhibitor 4-Carboxy-5-[(4-Chlorophenyl)Sulfanyl]-1,2,3-Thiadiazole. Acta Crystallogr.,Sect.F, 65, 2009
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2VVE
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![BU of 2vve by Molmil](/molmil-images/mine/2vve) | Crystal structure of the stem and receptor binding domain of the spike protein P1 from bacteriophage PM2 | Descriptor: | CALCIUM ION, CHLORIDE ION, SPIKE PROTEIN P1 | Authors: | Abrescia, N.G.A, Grimes, J.M, Kivela, H.K, Assenberg, R, Sutton, G.C, Butcher, S.J, Bamford, J.K.H, Bamford, D.H, Stuart, D.I. | Deposit date: | 2008-06-06 | Release date: | 2008-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Insights Into Virus Evolution and Membrane Biogenesis from the Structure of the Marine Lipid-Containing Bacteriophage Pm2. Mol.Cell, 31, 2008
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2VVF
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![BU of 2vvf by Molmil](/molmil-images/mine/2vvf) | Crystal structure of the major capsid protein P2 from Bacteriophage PM2 | Descriptor: | CALCIUM ION, MAJOR CAPSID PROTEIN P2 | Authors: | Abrescia, N.G.A, Grimes, J.M, Kivela, H.K, Assenberg, R, Sutton, G.C, Butcher, S.J, Bamford, J.K.H, Bamford, D.H, Stuart, D.I. | Deposit date: | 2008-06-06 | Release date: | 2008-09-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights Into Virus Evolution and Membrane Biogenesis from the Structure of the Marine Lipid-Containing Bacteriophage Pm2. Mol.Cell, 31, 2008
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4NDD
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![BU of 4ndd by Molmil](/molmil-images/mine/4ndd) | X-ray structure of a double mutant of calexcitin - a neuronal calcium-signalling protein | Descriptor: | CALCIUM ION, Calexcitin | Authors: | Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B. | Deposit date: | 2013-10-25 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein. Acta Crystallogr.,Sect.D, 71, 2015
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4NQ6
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![BU of 4nq6 by Molmil](/molmil-images/mine/4nq6) | Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound L-CS319 | Descriptor: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ... | Authors: | Gonzalez, J.M, Gonzalez, M.M, Vila, A.J. | Deposit date: | 2013-11-23 | Release date: | 2014-11-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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