1VYG
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![BU of 1vyg by Molmil](/molmil-images/mine/1vyg) | schistosoma mansoni fatty acid binding protein in complex with arachidonic acid | Descriptor: | ARACHIDONIC ACID, FATTY ACID BINDING PROTEIN | Authors: | Angelucci, F, Johnson, K.A, Baiocco, P, Miele, A.E, Bellelli, A. | Deposit date: | 2004-04-29 | Release date: | 2004-09-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Schistosoma Mansoni Fatty Acid Binding Protein: Specificity and Functional Control as Revealed by Crystallographic Structure Biochemistry, 43, 2004
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4MC0
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![BU of 4mc0 by Molmil](/molmil-images/mine/4mc0) | Hedycaryol apo | Descriptor: | Putative sesquiterpene cyclase | Authors: | Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J. | Deposit date: | 2013-08-21 | Release date: | 2014-01-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism. Chembiochem, 15, 2014
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4IP8
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![BU of 4ip8 by Molmil](/molmil-images/mine/4ip8) | Structure of human serum amyloid A1 | Descriptor: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, SULFATE ION, Serum amyloid A-1 protein | Authors: | Lu, J, Sun, P.D. | Deposit date: | 2013-01-09 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.193 Å) | Cite: | Structural mechanism of serum amyloid A-mediated inflammatory amyloidosis. Proc.Natl.Acad.Sci.USA, 111, 2014
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7KDI
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2XE6
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![BU of 2xe6 by Molmil](/molmil-images/mine/2xe6) | The complete reaction cycle of human phosphoglycerate kinase: The open binary complex with 3PG | Descriptor: | 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1 | Authors: | Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W. | Deposit date: | 2010-05-11 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase. J.Biol.Chem., 286, 2011
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4E6K
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![BU of 4e6k by Molmil](/molmil-images/mine/4e6k) | 2.0 A resolution structure of Pseudomonas aeruginosa bacterioferritin (BfrB) in complex with bacterioferritin associated ferredoxin (Bfd) | Descriptor: | Bacterioferritin, FE2/S2 (INORGANIC) CLUSTER, PHOSPHATE ION, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Wang, Y, Kumar, R, Ruvinsky, A, Vasker, I, Rivera, M. | Deposit date: | 2012-03-15 | Release date: | 2012-08-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of the BfrB-Bfd Complex Reveals Protein-Protein Interactions Enabling Iron Release from Bacterioferritin. J.Am.Chem.Soc., 134, 2012
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5NCD
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![BU of 5ncd by Molmil](/molmil-images/mine/5ncd) | Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2-amino-5-(diaminomethylideneamino)-N-hydroxypentanamide | Descriptor: | ACETATE ION, CITRIC ACID, N-HYDROXY-L-ARGININAMIDE, ... | Authors: | Giastas, P, Andreou, A, Eliopoulos, E.E. | Deposit date: | 2017-03-03 | Release date: | 2018-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.447 Å) | Cite: | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors. Biochemistry, 57, 2018
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1UH0
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![BU of 1uh0 by Molmil](/molmil-images/mine/1uh0) | Crystal structure of jacalin- Me-alpha-GalNAc complex | Descriptor: | Agglutinin alpha chain, Agglutinin beta-3 chain, methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside | Authors: | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-06-23 | Release date: | 2003-09-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study J.MOL.BIOL., 332, 2003
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2J51
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![BU of 2j51 by Molmil](/molmil-images/mine/2j51) | Crystal structure of Human STE20-like kinase bound to 5-Amino-3-((4-(aminosulfonyl)phenyl)amino) -N-(2,6-difluorophenyl)-1H-1,2,4-triazole- 1-carbothioamide | Descriptor: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE, ... | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Turnbull, A.P, Debreczeni, J.E, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2006-09-08 | Release date: | 2006-10-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
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1TOR
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![BU of 1tor by Molmil](/molmil-images/mine/1tor) | MOLECULAR DYNAMICS SIMULATION FROM 2D-NMR DATA OF THE FREE ACHR MIR DECAPEPTIDE AND THE ANTIBODY-BOUND [A76]MIR ANALOGUE | Descriptor: | ACETYLCHOLINE RECEPTOR, MAIN IMMUNOGENIC REGION | Authors: | Orlewski, P, Tsikaris, V, Sakarellos, C, Sakarellos-Daistiotis, M, Vatzaki, E, Tzartos, S.J, Marraud, M, Cung, M.T. | Deposit date: | 1995-10-11 | Release date: | 1996-03-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Compared structures of the free nicotinic acetylcholine receptor main immunogenic region (MIR) decapeptide and the antibody-bound [A76]MIR analogue: a molecular dynamics simulation from two-dimensional NMR data. Biopolymers, 40, 1996
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2N4U
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4EA8
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![BU of 4ea8 by Molmil](/molmil-images/mine/4ea8) | X-ray crystal structure of PerB from Caulobacter crescentus in complex with coenzyme A and GDP-N-acetylperosamine at 1 Angstrom resolution | Descriptor: | CHLORIDE ION, COENZYME A, GDP-N-acetylperosamine, ... | Authors: | Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. | Deposit date: | 2012-03-22 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses. Biochemistry, 51, 2012
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5IXD
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4P2A
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![BU of 4p2a by Molmil](/molmil-images/mine/4p2a) | Structure of mouse VPS26A bound to rat SNX27 PDZ domain | Descriptor: | MERCURY (II) ION, Sorting nexin-27, Vacuolar protein sorting-associated protein 26A | Authors: | Clairfeuille, T, Gallon, M, Mas, C, Ghai, R, Teasdale, R, Cullen, P, Collins, B. | Deposit date: | 2014-03-03 | Release date: | 2014-09-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A unique PDZ domain and arrestin-like fold interaction reveals mechanistic details of endocytic recycling by SNX27-retromer. Proc.Natl.Acad.Sci.USA, 111, 2014
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4EB5
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![BU of 4eb5 by Molmil](/molmil-images/mine/4eb5) | A. fulgidus IscS-IscU complex structure | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | Authors: | Marinoni, E.N, de Oliveira, J.S, Nicolet, Y, Raulfs, E.C, Amara, P, Dean, D.R, Fontecilla-Camps, J.C. | Deposit date: | 2012-03-23 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | (IscS-IscU)2 complex structures provide insights into Fe2S2 biogenesis and transfer. Angew.Chem.Int.Ed.Engl., 51, 2012
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4IPN
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![BU of 4ipn by Molmil](/molmil-images/mine/4ipn) | The complex structure of 6-phospho-beta-glucosidase BglA-2 with thiocellobiose-6P from Streptococcus pneumoniae | Descriptor: | 6-O-phosphono-alpha-L-idopyranose-(1-4)-4-thio-beta-D-glucopyranose, 6-phospho-beta-glucosidase | Authors: | Yu, W.L, Jiang, Y.L, Andreas, P, Cheng, W, Bai, X.H, Ren, Y.M, Thompsonn, J, Zhou, C.Z, Chen, Y.X. | Deposit date: | 2013-01-10 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Structural insights into the substrate specificity of a 6-phospho-&[beta]-glucosidase BglA-2 from Streptococcus pneumoniae TIGR4 J.Biol.Chem., 288, 2013
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2XE8
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![BU of 2xe8 by Molmil](/molmil-images/mine/2xe8) | The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and AMP-PNP | Descriptor: | 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W. | Deposit date: | 2010-05-11 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase. J.Biol.Chem., 286, 2011
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7K5E
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![BU of 7k5e by Molmil](/molmil-images/mine/7k5e) | 1.75 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor JAG-5-7 | Descriptor: | 4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Soldano, A, Punchi-Hewage, A, Meraz, K, Annor-Gyamfi, J.K, Yao, H, Bunce, R.A, Rivera, M. | Deposit date: | 2020-09-16 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Small Molecule Inhibitors of the Bacterioferritin (BfrB)-Ferredoxin (Bfd) Complex Kill Biofilm-Embedded Pseudomonas aeruginosa Cells. Acs Infect Dis., 7, 2021
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2XGK
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![BU of 2xgk by Molmil](/molmil-images/mine/2xgk) | Virus like particle of L172W mutant of Minute Virus of Mice - the immunosuppressive strain | Descriptor: | COAT PROTEIN VP2 | Authors: | Plevka, P, Hafenstein, S, Tattersall, P, Cotmore, S, Farr, G, D'Abramo, A, Rossmann, M.G. | Deposit date: | 2010-06-04 | Release date: | 2011-04-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of a Packaging-Defective Mutant of Minute Virus of Mice Indicates that the Genome is Packaged Via a Pore at a 5-Fold Axis. J.Virol., 85, 2011
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2N2R
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![BU of 2n2r by Molmil](/molmil-images/mine/2n2r) | NMR solution structure of RsAFP2 | Descriptor: | Defensin-like protein 2 | Authors: | Harvey, P.J, Craik, D.J, Vriens, K. | Deposit date: | 2015-05-12 | Release date: | 2016-05-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The radish defensins RsAFP1 and RsAFP2 act synergistically with caspofungin against Candida albicans biofilms. Peptides, 75, 2016
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2N4R
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1OSG
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![BU of 1osg by Molmil](/molmil-images/mine/1osg) | Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold | Descriptor: | BR3 derived PEPTIDE, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 13B | Authors: | Gordon, N.C, Pan, B, Hymowitz, S.G, Yin, J.P, Kelley, R.F, Cochran, A.G, Yan, M, Dixit, V.M, Fairbrother, W.J, Starovasnik, M.A. | Deposit date: | 2003-03-19 | Release date: | 2003-05-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | BAFF/BLyS receptor 3 comprises a minimal TNF receptor-like module that encodes a highly focused ligand-binding site Biochemistry, 42, 2003
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4PAW
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![BU of 4paw by Molmil](/molmil-images/mine/4paw) | Structure of hypothetical protein HP1257. | Descriptor: | Orotate phosphoribosyltransferase, PHOSPHATE ION, THIOCYANATE ION, ... | Authors: | Battaile, K.P, Lam, R, Lam, K, Romanov, V, Jones, K, Soloveychik, M, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-04-10 | Release date: | 2015-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure of hypothetical protein HP1257. To Be Published
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2XNW
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![BU of 2xnw by Molmil](/molmil-images/mine/2xnw) | XPT-PBUX C74U RIBOSWITCH FROM B. SUBTILIS BOUND TO A TRIAZOLO- TRIAZOLE-DIAMINE LIGAND IDENTIFIED BY VIRTUAL SCREENING | Descriptor: | 3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Brenk, R. | Deposit date: | 2010-08-06 | Release date: | 2011-04-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
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1ZEW
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![BU of 1zew by Molmil](/molmil-images/mine/1zew) | B-DNA | Descriptor: | 5'-D(*CP*CP*TP*CP*TP*AP*GP*AP*GP*G)-3', SODIUM ION | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | Deposit date: | 2005-04-19 | Release date: | 2005-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
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