5W6I
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8ADB
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![BU of 8adb by Molmil](/molmil-images/mine/8adb) | Viral tegument-like DUBs | Descriptor: | CITRIC ACID, Polyubiquitin-C, Wc-VDT1, ... | Authors: | Erven, I, Abraham, E.T, Hermanns, T, Baumann, U, Hofmann, K. | Deposit date: | 2022-07-08 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A widely distributed family of eukaryotic and bacterial deubiquitinases related to herpesviral large tegument proteins. Nat Commun, 13, 2022
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3G1Q
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![BU of 3g1q by Molmil](/molmil-images/mine/3g1q) | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in ligand free state | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase | Authors: | Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R, Park, H. | Deposit date: | 2009-01-30 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections. J.Biol.Chem., 285, 2010
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8ADC
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![BU of 8adc by Molmil](/molmil-images/mine/8adc) | Viral tegument-like DUBs | Descriptor: | Viral deubiquitinating enzyme | Authors: | Erven, I, Abraham, E.T, Hermanns, T, Baumann, U, Hofmann, K. | Deposit date: | 2022-07-08 | Release date: | 2023-02-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A widely distributed family of eukaryotic and bacterial deubiquitinases related to herpesviral large tegument proteins. Nat Commun, 13, 2022
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4KJM
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![BU of 4kjm by Molmil](/molmil-images/mine/4kjm) | Crystal structure of the Staphylococcus aureus protein (NP_646141.1, domain 3912-4037) similar to streptococcal adhesins emb and ebhA/ebhB | Descriptor: | ACETATE ION, CHLORIDE ION, Extracellular matrix-binding protein ebh, ... | Authors: | Cymborowski, M, Shabalin, I.G, Joachimiak, G, Chruszcz, M, Gornicki, P, Zhang, R, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-03 | Release date: | 2013-05-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the Staphylococcus aureus protein (NP_646141.1, domain 3912-4037) similar to streptococcal adhesins emb and ebhA/ebhB To be Published
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5VTE
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1XB7
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![BU of 1xb7 by Molmil](/molmil-images/mine/1xb7) | X-ray structure of ERRalpha LBD in complex with a PGC-1alpha peptide at 2.5A resolution | Descriptor: | IODIDE ION, Peroxisome proliferator activated receptor gamma coactivator 1 alpha, Steroid hormone receptor ERR1 | Authors: | Kallen, J, Schlaeppi, J.M, Bitsch, F, Filipuzzi, I, Schilb, A, Riou, V, Graham, A, Strauss, A, Geiser, M, Fournier, B. | Deposit date: | 2004-08-30 | Release date: | 2004-09-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evidence for Ligand-independent Transcriptional Activation of the Human Estrogen-related Receptor {alpha} (ERR{alpha}): CRYSTAL STRUCTURE OF ERR{alpha} LIGAND BINDING DOMAIN IN COMPLEX WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR COACTIVATOR-1{alpha} J.Biol.Chem., 279, 2004
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4G3J
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![BU of 4g3j by Molmil](/molmil-images/mine/4g3j) | Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [R-VNI-triazole (VNT)] | Descriptor: | N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase | Authors: | Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I. | Deposit date: | 2012-07-14 | Release date: | 2013-07-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis. J Infect Dis, 212, 2015
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3GEY
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![BU of 3gey by Molmil](/molmil-images/mine/3gey) | Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment in complex with an inhibitor Pj34 | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 15 | Authors: | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-02-26 | Release date: | 2009-03-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein. J.Biol.Chem., 290, 2015
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8AJ2
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2XQL
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![BU of 2xql by Molmil](/molmil-images/mine/2xql) | Fitting of the H2A-H2B histones in the electron microscopy map of the complex Nucleoplasmin:H2A-H2B histones (1:5). | Descriptor: | HISTONE H2A-IV, HISTONE H2B 5 | Authors: | Ramos, I, Martin-Benito, J, Finn, R, Bretana, L, Aloria, K, Arizmendi, J.M, Ausio, J, Muga, A, Valpuesta, J.M, Prado, A. | Deposit date: | 2010-09-02 | Release date: | 2010-11-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (19.5 Å) | Cite: | Nucleoplasmin Binds Histone H2A-H2B Dimers Through its Distal Face. J.Biol.Chem., 285, 2010
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3FOT
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![BU of 3fot by Molmil](/molmil-images/mine/3fot) | Structural and Functional Characterization of TRI3 Trichothecene 15-O-acetyltransferase from Fusarium sporotrichioides | Descriptor: | 15-O-acetyltransferase, GLYCEROL, SULFATE ION | Authors: | Garvey, G.S, Rayment, I, McCormick, S.P, Alexander, N.J. | Deposit date: | 2009-01-01 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and functional characterization of TRI3 trichothecene 15-O-acetyltransferase from Fusarium sporotrichioides Protein Sci., 18, 2009
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5UFB
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![BU of 5ufb by Molmil](/molmil-images/mine/5ufb) | Crystal Structure of Variable Lymphocyte Receptor (VLR) Tn4-22 (Apo) | Descriptor: | Tn4-22 | Authors: | Collins, B.C, Gunn, R.J, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A. | Deposit date: | 2017-01-04 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates. Structure, 25, 2017
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4JYL
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![BU of 4jyl by Molmil](/molmil-images/mine/4jyl) | Crystal structure of enoyl-CoA hydratase from Thermoplasma volcanium GSS1 | Descriptor: | CHLORIDE ION, Enoyl-CoA hydratase, SULFATE ION | Authors: | Shabalin, I.G, Cooper, D.R, Majorek, K.A, Mikolajczak, K, Porebski, P.J, Stead, M, Hillerich, B.S, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-03-29 | Release date: | 2013-04-17 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Crystal structure of enoyl-CoA hydratase from Thermoplasma volcanium GSS1 To be Published
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4G7G
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![BU of 4g7g by Molmil](/molmil-images/mine/4g7g) | Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [VNI/VNF (VFV)] | Descriptor: | N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase | Authors: | Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I. | Deposit date: | 2012-07-20 | Release date: | 2013-07-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis. J Infect Dis, 212, 2015
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2XFT
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![BU of 2xft by Molmil](/molmil-images/mine/2xft) | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | Descriptor: | GLYCEROL, ORF12 | Authors: | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | Deposit date: | 2010-05-26 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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1RZ6
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![BU of 1rz6 by Molmil](/molmil-images/mine/1rz6) | Di-haem Cytochrome c Peroxidase, Form IN | Descriptor: | CITRIC ACID, Cytochrome c peroxidase, HEME C | Authors: | Dias, J.M, Alves, T, Bonifacio, C, Pereira, A, Bourgeois, D, Moura, I, Romao, M.J. | Deposit date: | 2003-12-24 | Release date: | 2004-06-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the mechanism of Ca(2+) activation of the di-heme cytochrome c peroxidase from Pseudomonas nautica 617. Structure, 12, 2004
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3FO9
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7LV6
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![BU of 7lv6 by Molmil](/molmil-images/mine/7lv6) | The structure of MalL mutant enzyme S536R from Bacillus subtilis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Hamill, C.J, Prentice, E.J, Bahl, C.D, Truebridge, I.S, Arcus, V.L. | Deposit date: | 2021-02-24 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Urea binding to guide rational design of mutations that influence enzyme dynamics To Be Published
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4KOE
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![BU of 4koe by Molmil](/molmil-images/mine/4koe) | Quinolone(Trovafloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae | Descriptor: | DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, E-site DNA1, ... | Authors: | Laponogov, I, Pan, X.-S, Veselkov, D.A, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2013-05-11 | Release date: | 2014-11-26 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Inhibitor-stabilised cleavage complexes of topoisomerase IIa: structural analysis of drug-dependent inter- and intramolecular interactions To be Published
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4KPF
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![BU of 4kpf by Molmil](/molmil-images/mine/4kpf) | Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate | Descriptor: | (3aS,4R)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid, E-site1, E-site2, ... | Authors: | Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2013-05-13 | Release date: | 2014-11-26 | Last modified: | 2018-10-03 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones. Open Biol, 6, 2016
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5VL5
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![BU of 5vl5 by Molmil](/molmil-images/mine/5vl5) | Coordination Chemistry within a Protein Host: Regulation of the Secondary Coordination Sphere | Descriptor: | COPPER (II) ION, Streptavidin, [N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper | Authors: | Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S. | Deposit date: | 2017-04-24 | Release date: | 2018-04-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Coordination chemistry within a protein host: regulation of the secondary coordination sphere. Chem. Commun. (Camb.), 54, 2018
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1S35
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4G6I
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![BU of 4g6i by Molmil](/molmil-images/mine/4g6i) | Crystallographic structure of trimeric riboflavin synthase from Brucella abortus in complex with roseoflavin | Descriptor: | 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol, Riboflavin synthase subunit alpha | Authors: | Serer, M.I, Bonomi, H.R, Guimaraes, B.G, Rossi, R.C, Goldbaum, F.A, Klinke, S. | Deposit date: | 2012-07-19 | Release date: | 2014-03-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystallographic and kinetic study of riboflavin synthase from Brucella abortus, a chemotherapeutic target with an enhanced intrinsic flexibility. Acta Crystallogr.,Sect.D, 70, 2014
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4GD9
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![BU of 4gd9 by Molmil](/molmil-images/mine/4gd9) | Circular Permuted Streptavidin N49/G48 | Descriptor: | BIOTIN, SULFATE ION, Streptavidin | Authors: | Le Trong, I, Chu, V, Xing, Y, Lybrand, T.P, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 2012-07-31 | Release date: | 2013-06-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural consequences of cutting a binding loop: two circularly permuted variants of streptavidin. Acta Crystallogr.,Sect.D, 69, 2013
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