5X40
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![BU of 5x40 by Molmil](/molmil-images/mine/5x40) | Structure of a CbiO dimer bound with AMPPCP | Descriptor: | Cobalt ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Bao, Z, Qi, X, Wang, J, Zhang, P. | Deposit date: | 2017-02-09 | Release date: | 2017-04-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure and mechanism of a group-I cobalt energy coupling factor transporter Cell Res., 27, 2017
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4WEJ
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![BU of 4wej by Molmil](/molmil-images/mine/4wej) | Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam | Descriptor: | (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | Authors: | Ferguson, A.D. | Deposit date: | 2014-09-10 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.045 Å) | Cite: | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3. Acs Med.Chem.Lett., 6, 2015
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4GI3
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![BU of 4gi3 by Molmil](/molmil-images/mine/4gi3) | |
2KK7
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2L52
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![BU of 2l52 by Molmil](/molmil-images/mine/2l52) | Solution structure of the small archaeal modifier protein 1 (SAMP1) from Methanosarcina acetivorans | Descriptor: | METHANOSARCINA ACETIVORANS SAMP1 HOMOLOG | Authors: | Damberger, F.F, Ranjan, N, Sutter, M, Allain, F.H.-T, Weber-Ban, E. | Deposit date: | 2010-10-24 | Release date: | 2011-02-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure and activation mechanism of ubiquitin-like small archaeal modifier proteins. J.Mol.Biol., 405, 2011
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4UND
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![BU of 4und by Molmil](/molmil-images/mine/4und) | HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB | Descriptor: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, POLY [ADP-RIBOSE] POLYMERASE 1, SODIUM ION | Authors: | Karlberg, T, Thorsell, A.G, Ekblad, T, Klepsch, M, Pinto, A.F, Tresaugues, L, Moche, M, Schuler, H. | Deposit date: | 2014-05-27 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J. Med. Chem., 60, 2017
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3LYE
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![BU of 3lye by Molmil](/molmil-images/mine/3lye) | Crystal structure of oxaloacetate acetylhydrolase | Descriptor: | CALCIUM ION, Oxaloacetate acetyl hydrolase | Authors: | Herzberg, O, Chen, C. | Deposit date: | 2010-02-26 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus. J.Biol.Chem., 285, 2010
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2G9Z
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![BU of 2g9z by Molmil](/molmil-images/mine/2g9z) | Thiamin pyrophosphokinase from Candida albicans | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-(2-{[HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-I UM, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Abergel, C, Santini, S, Monchois, V, Rousselle, T, Claverie, J.M, Bacterial targets at IGS-CNRS, France (BIGS) | Deposit date: | 2006-03-07 | Release date: | 2006-04-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural characterization of CA1462, the Candida albicans thiamine pyrophosphokinase. Bmc Struct.Biol., 8, 2008
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3M0K
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3M0J
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![BU of 3m0j by Molmil](/molmil-images/mine/3m0j) | Structure of oxaloacetate acetylhydrolase in complex with the inhibitor 3,3-difluorooxalacetate | Descriptor: | 2,2-difluoro-3,3-dihydroxybutanedioic acid, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Herzberg, O, Chen, C. | Deposit date: | 2010-03-03 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus. J.Biol.Chem., 285, 2010
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4W4U
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2GMI
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![BU of 2gmi by Molmil](/molmil-images/mine/2gmi) | Mms2/Ubc13~Ubiquitin | Descriptor: | Ubiquitin, Ubiquitin-conjugating enzyme E2 13, Ubiquitin-conjugating enzyme variant MMS2 | Authors: | Wolberger, C, Eddins, M.J, Carlile, C.M, Gomez, K.G, Pickart, C.M. | Deposit date: | 2006-04-06 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mms2-Ubc13 covalently bound to ubiquitin reveals the structural basis of linkage-specific polyubiquitin chain formation. Nat.Struct.Mol.Biol., 13, 2006
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5IGH
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![BU of 5igh by Molmil](/molmil-images/mine/5igh) | Macrolide 2'-phosphotransferase type I | Descriptor: | Macrolide 2'-phosphotransferase, SULFATE ION | Authors: | Berghuis, A.M, Fong, D.H. | Deposit date: | 2016-02-28 | Release date: | 2017-04-26 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance. Structure, 25, 2017
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5IGV
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5IGR
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![BU of 5igr by Molmil](/molmil-images/mine/5igr) | Macrolide 2'-phosphotransferase type I - complex with GDP and oleandomycin | Descriptor: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE, AMMONIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Berghuis, A.M, Fong, D.H. | Deposit date: | 2016-02-28 | Release date: | 2017-04-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance. Structure, 25, 2017
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5IH1
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4P3D
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![BU of 4p3d by Molmil](/molmil-images/mine/4p3d) | MT1-MMP:Fab complex (Form II) | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Rozenberg, H, Udi, Y, Sagi, I. | Deposit date: | 2014-03-07 | Release date: | 2014-12-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody. Structure, 23, 2015
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4P74
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![BU of 4p74 by Molmil](/molmil-images/mine/4p74) | PheRS in complex with compound 3a | Descriptor: | N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | Authors: | Ferguson, A.D. | Deposit date: | 2014-03-25 | Release date: | 2014-06-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
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4P71
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![BU of 4p71 by Molmil](/molmil-images/mine/4p71) | Apo PheRS from P. aeuriginosa | Descriptor: | Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | Authors: | Ferguson, A.D. | Deposit date: | 2014-03-25 | Release date: | 2014-06-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
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4PH0
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4PH3
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![BU of 4ph3 by Molmil](/molmil-images/mine/4ph3) | N-terminal domain of the capsid protein from bovine leukaemia virus (with no beta-hairpin) | Descriptor: | BLV capsid, GLYCEROL, IODIDE ION | Authors: | Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A. | Deposit date: | 2014-05-03 | Release date: | 2015-06-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography. Science, 349, 2015
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4PH1
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2AYA
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![BU of 2aya by Molmil](/molmil-images/mine/2aya) | |
9FEA
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![BU of 9fea by Molmil](/molmil-images/mine/9fea) | Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NAD+ | 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, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FE7
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![BU of 9fe7 by Molmil](/molmil-images/mine/9fe7) | Crystal Structure of oxidized NuoEF variant P228R(NuoF) from Aquifex aeolicus | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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