5NNN
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4B1L
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![BU of 4b1l by Molmil](/molmil-images/mine/4b1l) | CARBOHYDRATE BINDING MODULE CBM66 FROM BACILLUS SUBTILIS | Descriptor: | LEVANASE, SODIUM ION, beta-D-fructofuranose | Authors: | Cuskin, F, Flint, J.E, Morland, C, Basle, A, Henrissat, B, Countinho, P.M, Strazzulli, A, Solzehinkin, A, Davies, G.J, Gilbert, H.J, Gloster, T.M. | Deposit date: | 2012-07-11 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | How Nature Can Exploit Nonspecific Catalytic and Carbohydrate Binding Modules to Create Enzymatic Specificity Proc.Natl.Acad.Sci.USA, 109, 2012
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5H7X
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![BU of 5h7x by Molmil](/molmil-images/mine/5h7x) | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with 2-hydroxy-1,2,3-propane tricarboxylate at 1.76 A resolution | Descriptor: | CITRIC ACID, Phosphopantetheine adenylyltransferase | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-11-21 | Release date: | 2016-12-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and binding studies of phosphopantetheine adenylyl transferase from Acinetobacter baumannii. Biochim Biophys Acta Proteins Proteom, 1867, 2019
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1GQS
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![BU of 1gqs by Molmil](/molmil-images/mine/1gqs) | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH NAP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ACETYLCHOLINESTERASE | Authors: | Bar-on, P, Millard, C.B, Harel, M, Dvir, H, Enz, A, Sussman, J.L, Silman, I. | Deposit date: | 2001-12-04 | Release date: | 2002-03-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine Biochemistry, 41, 2002
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1TE2
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![BU of 1te2 by Molmil](/molmil-images/mine/1te2) | Putative Phosphatase Ynic from Escherichia coli K12 | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, 2-deoxyglucose-6-P phosphatase, CALCIUM ION | Authors: | Kim, Y, Joachimiak, A, Evdokimova, E, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-05-24 | Release date: | 2004-08-03 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal Structure of Putative Phosphatase Ynic from Escherichia coli K12 To be Published
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1T2D
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![BU of 1t2d by Molmil](/molmil-images/mine/1t2d) | Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and oxalate | Descriptor: | GLYCEROL, L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-21 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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2V60
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![BU of 2v60 by Molmil](/molmil-images/mine/2v60) | Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-carboxaldehyde-coumarin | Descriptor: | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE, AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Binda, C, Wang, J, Pisani, L, Caccia, C, Carotti, A, Salvati, P, Edmondson, D.E, Mattevi, A. | Deposit date: | 2007-07-12 | Release date: | 2007-10-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Human Monoamine Oxidase B Complexes with Selective Noncovalent Inhibitors: Safinamide and Coumarin Analogs. J.Med.Chem., 50, 2007
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2VIF
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![BU of 2vif by Molmil](/molmil-images/mine/2vif) | Crystal structure of SOCS6 SH2 domain in complex with a c-KIT phosphopeptide | Descriptor: | 1,2-ETHANEDIOL, MAST/STEM CELL GROWTH FACTOR RECEPTOR, SUPPRESSOR OF CYTOKINE SIGNALLING 6 | Authors: | Bullock, A, Pike, A.C.W, Savitsky, P, Keates, T, Pilka, E.S, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Knapp, S. | Deposit date: | 2007-11-30 | Release date: | 2007-12-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Basis for C-Kit Inhibition by the Suppressor of Cytokine Signaling 6 (Socs6) Ubiquitin Ligase. J.Biol.Chem., 286, 2011
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5FR8
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1TJF
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![BU of 1tjf by Molmil](/molmil-images/mine/1tjf) | The crystal structure of the N-terminal domain of CAP indicates variable oligomerisation | Descriptor: | Adenylyl cyclase-associated protein, SULFATE ION | Authors: | Mohd Yusof, A, Hu, N.J, Wlodawer, A, Hofmann, A. | Deposit date: | 2004-06-04 | Release date: | 2005-02-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural evidence for variable oligomerization of the N-terminal domain of cyclase-associated protein (CAP). Proteins, 58, 2005
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1H5J
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![BU of 1h5j by Molmil](/molmil-images/mine/1h5j) | X-ray induced reduction of horseradish peroxidase C1A Compound III (67-78% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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5FU5
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3C10
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![BU of 3c10 by Molmil](/molmil-images/mine/3c10) | Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with Trichostatin A (TSA) | Descriptor: | Histone deacetylase 7a, POTASSIUM ION, TRICHOSTATIN A, ... | Authors: | Min, J, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-21 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity. J.Biol.Chem., 283, 2008
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2V61
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![BU of 2v61 by Molmil](/molmil-images/mine/2v61) | Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-(methylamino)methyl-coumarin | Descriptor: | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE, AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Binda, C, Wang, J, Pisani, L, Caccia, C, Carotti, A, Salvati, P, Edmondson, D.E, Mattevi, A. | Deposit date: | 2007-07-13 | Release date: | 2007-10-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of Human Monoamine Oxidase B Complexes with Selective Noncovalent Inhibitors: Safinamide and Coumarin Analogs. J.Med.Chem., 50, 2007
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8FMA
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![BU of 8fma by Molmil](/molmil-images/mine/8fma) | Nodavirus RNA replication proto-crown, detergent-solubliized C11 multimer | Descriptor: | RNA-directed RNA polymerase | Authors: | Zhan, H, Unchwaniwala, N, Rebolledo Viveros, A, Pennington, J, Horswill, M, Broadberry, R, Myers, J, den Boon, J, Grant, T, Ahlquist, P. | Deposit date: | 2022-12-22 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Nodavirus RNA replication crown architecture reveals proto-crown precursor and viral protein A conformational switching. Proc.Natl.Acad.Sci.USA, 120, 2023
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1H5L
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![BU of 1h5l by Molmil](/molmil-images/mine/1h5l) | X-ray induced reduction of horseradish peroxidase C1A Compound III (89-100% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-06-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1T2F
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![BU of 1t2f by Molmil](/molmil-images/mine/1t2f) | Human B lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid | Descriptor: | 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase B chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-21 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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8FM9
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![BU of 8fm9 by Molmil](/molmil-images/mine/8fm9) | Nodavirus RNA replication proto-crown, detergent-solubliized C12 multimer | Descriptor: | RNA-directed RNA polymerase | Authors: | Zhan, H, Unchwaniwala, N, Rebolledo Viveros, A, Pennington, J, Horswill, M, Broadberry, R, Myers, J, den Boon, J, Grant, T, Ahlquist, P. | Deposit date: | 2022-12-22 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Nodavirus RNA replication crown architecture reveals proto-crown precursor and viral protein A conformational switching. Proc.Natl.Acad.Sci.USA, 120, 2023
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5G4I
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![BU of 5g4i by Molmil](/molmil-images/mine/5g4i) | PLP-dependent phospholyase A1RDF1 from Arthrobacter aurescens TC1 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, PHOSPHATE ION, ... | Authors: | Cuetos, A, Tuan, A.N, Mangas Sanchez, J, Grogan, G. | Deposit date: | 2016-05-13 | Release date: | 2016-10-19 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis for Phospholyase Activity of a Class III Transaminase Homologue. Chembiochem, 17, 2016
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8FMB
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![BU of 8fmb by Molmil](/molmil-images/mine/8fmb) | Nodavirus RNA replication protein A polymerase domain, local refinement | Descriptor: | RNA-directed RNA polymerase | Authors: | Zhan, H, Unchwaniwala, N, Rebolledo Viveros, A, Pennington, J, Horswill, M, Broadberry, R, Myers, J, den Boon, J, Grant, T, Ahlquist, P. | Deposit date: | 2022-12-22 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Nodavirus RNA replication crown architecture reveals proto-crown precursor and viral protein A conformational switching. Proc.Natl.Acad.Sci.USA, 120, 2023
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2A5M
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![BU of 2a5m by Molmil](/molmil-images/mine/2a5m) | |
8QU9
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![BU of 8qu9 by Molmil](/molmil-images/mine/8qu9) | Structure of the NCOA4 (Nuclear Receptor Coactivator 4)-FTH1 (H-Ferritin) complex | Descriptor: | FE (III) ION, Ferritin heavy chain, NCOA4 (Nuclear Receptor Coactivator 4) | Authors: | Hoelzgen, F, Klukin, E, Zalk, R, Shahar, A, Cohen-Schwartz, S, Frank, G.A. | Deposit date: | 2023-10-15 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structural basis for the intracellular regulation of ferritin degradation. Nat Commun, 15, 2024
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5APJ
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![BU of 5apj by Molmil](/molmil-images/mine/5apj) | Ligand complex of RORg LBD | Descriptor: | 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR COACTIVATOR 2, NUCLEAR RECEPTOR ROR-GAMMA, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2015-09-16 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
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1HO3
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![BU of 1ho3 by Molmil](/molmil-images/mine/1ho3) | CRYSTAL STRUCTURE ANALYSIS OF E. COLI L-ASPARAGINASE II (Y25F MUTANT) | Descriptor: | ASPARTIC ACID, L-ASPARAGINASE II | Authors: | Jaskolski, M, Kozak, M, Lubkowski, P, Palm, J.G, Wlodawer, A. | Deposit date: | 2000-12-08 | Release date: | 2001-03-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of two highly homologous bacterial L-asparaginases: a case of enantiomorphic space groups. Acta Crystallogr.,Sect.D, 57, 2001
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5E1Q
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![BU of 5e1q by Molmil](/molmil-images/mine/5e1q) | Mutant (D415G) GH97 alpha-galactosidase in complex with Gal-Lac | Descriptor: | CALCIUM ION, GLYCEROL, Retaining alpha-galactosidase, ... | Authors: | Matsunaga, K, Yamashita, K, Tagami, T, Yao, M, Okuyama, M, Kimura, A. | Deposit date: | 2015-09-30 | Release date: | 2016-10-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.943 Å) | Cite: | Efficient synthesis of alpha-galactosyl oligosaccharides using a mutant Bacteroides thetaiotaomicron retaining alpha-galactosidase (BtGH97b). FEBS J., 284, 2017
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