2BMZ
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![BU of 2bmz by Molmil](/molmil-images/mine/2bmz) | Banana Lectin bound to Xyl-b1,3 Man-a-O-Methyl (XM) | Descriptor: | CADMIUM ION, RIPENING-ASSOCIATED PROTEIN, SULFATE ION, ... | Authors: | Meagher, J.L, Winter, H.C, Ezell, P, Goldstein, I.J, Stuckey, J.A. | Deposit date: | 2005-03-17 | Release date: | 2005-06-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site. Glycobiology, 15, 2005
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2BWF
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![BU of 2bwf by Molmil](/molmil-images/mine/2bwf) | Crystal structure of the UBL domain of Dsk2 from S. cerevisiae | Descriptor: | FORMIC ACID, UBIQUITIN-LIKE PROTEIN DSK2 | Authors: | Lowe, E.D, Hasan, N, Trempe, J.-F, Fonso, L, Noble, M.E.M, Endicott, J.A, Johnson, L.N, Brown, N.R. | Deposit date: | 2005-07-13 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structures of the Dsk2 Ubl and Uba Domains and Their Complex. Acta Crystallogr.,Sect.D, 62, 2006
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3KB9
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![BU of 3kb9 by Molmil](/molmil-images/mine/3kb9) | Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Aaron, J.A, Lin, X, Cane, D.E, Christianson, D.W. | Deposit date: | 2009-10-20 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates Biochemistry, 49, 2010
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5G1M
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![BU of 5g1m by Molmil](/molmil-images/mine/5g1m) | Crystal structure of NagZ from Pseudomonas aeruginosa | Descriptor: | ACETATE ION, BETA-HEXOSAMINIDASE, CHLORIDE ION, ... | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-03-28 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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2BMV
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![BU of 2bmv by Molmil](/molmil-images/mine/2bmv) | Apoflavodoxin from Helicobacter pylori | Descriptor: | BENZAMIDINE, CHLORIDE ION, FLAVODOXIN | Authors: | Martinez-Julvez, M, Hermoso, J.A, Sancho, J, Perez-Dorado, I, Cremades, N, Bueno, M. | Deposit date: | 2005-03-16 | Release date: | 2006-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Common Conformational Changes in Flavodoxins Induced by Fmn and Anion Binding: The Structure of Helicobacter Pylori Apoflavodoxin. Proteins, 69, 2007
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3KB7
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![BU of 3kb7 by Molmil](/molmil-images/mine/3kb7) | Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor | Descriptor: | 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, L(+)-TARTARIC ACID, Serine/threonine-protein kinase PLK1, ... | Authors: | Bossi, R.T, Bertrand, J.A. | Deposit date: | 2009-10-20 | Release date: | 2010-05-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors J.Med.Chem., 53, 2010
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3KFK
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![BU of 3kfk by Molmil](/molmil-images/mine/3kfk) | Crystal structures of a group II chaperonin from Methanococcus maripaludis | Descriptor: | Chaperonin, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | Deposit date: | 2009-10-27 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (6.003 Å) | Cite: | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle. J.Biol.Chem., 285, 2010
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2C0S
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![BU of 2c0s by Molmil](/molmil-images/mine/2c0s) | NMR Solution Structure of a protein aspartic acid phosphate phosphatase from Bacillus Anthracis | Descriptor: | CONSERVED DOMAIN PROTEIN | Authors: | Grenha, R, Rzechorzek, N.J, Brannigan, J.A, Ab, E, Folkers, G.E, De Jong, R.N, Diercks, T, Wilkinson, A.J, Kaptein, R, Wilson, K.S. | Deposit date: | 2005-09-07 | Release date: | 2006-09-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural characterization of Spo0E-like protein-aspartic acid phosphatases that regulate sporulation in bacilli. J. Biol. Chem., 281, 2006
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2C1J
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![BU of 2c1j by Molmil](/molmil-images/mine/2c1j) | Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3 | Descriptor: | 14-3-3 PROTEIN ZETA/DELTA, HISTONE H3 ACETYLPHOSPHOPEPTIDE | Authors: | Welburn, J.P.I, Macdonald, N, Noble, M.E.M, Nguyen, A, Yaffe, M.B, Clynes, D, Moggs, J.G, Orphanides, G, Thomson, S, Edmunds, J.W, Clayton, A.L, Endicott, J.A, Mahadevan, L.C. | Deposit date: | 2005-09-15 | Release date: | 2005-11-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Basis for the Recognition of Phosphorylated and Phosphoacetylated Histone H3 by 14-3-3. Mol.Cell, 20, 2005
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5G3O
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![BU of 5g3o by Molmil](/molmil-images/mine/5g3o) | Bacillus cereus formamidase (BceAmiF) inhibited with urea. | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, FORMAMIDASE, ... | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Conejero-Muriel, M. | Deposit date: | 2016-04-29 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member. Arch.Biochem.Biophys., 662, 2019
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5G2M
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![BU of 5g2m by Molmil](/molmil-images/mine/5g2m) | Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-HEXOSAMINIDASE | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-04-09 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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5GAI
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![BU of 5gai by Molmil](/molmil-images/mine/5gai) | Probabilistic Structural Models of Mature P22 Bacteriophage Portal, Hub, and Tailspike proteins | Descriptor: | Peptidoglycan hydrolase gp4, Portal protein, Tail fiber protein | Authors: | Pintilie, G, Chen, D.H, Haase-Pettingell, C.A, King, J.A, Chiu, W. | Deposit date: | 2015-12-01 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (10.5 Å) | Cite: | Resolution and Probabilistic Models of Components in CryoEM Maps of Mature P22 Bacteriophage. Biophys.J., 110, 2016
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5GNB
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![BU of 5gnb by Molmil](/molmil-images/mine/5gnb) | Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 2.3 angstrom, native-SAD phasing) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Guan, H, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2016-07-20 | Release date: | 2017-06-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1 Nat Commun, 8, 2017
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2BJ4
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![BU of 2bj4 by Molmil](/molmil-images/mine/2bj4) | ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A PHAGE-DISPLAY DERIVED PEPTIDE ANTAGONIST | Descriptor: | 4-HYDROXYTAMOXIFEN, ESTROGEN RECEPTOR, PEPTIDE ANTAGONIST | Authors: | Kong, E, Heldring, N, Gustafsson, J.A, Treuter, E, Hubbard, R.E, Pike, A.C.W. | Deposit date: | 2005-01-28 | Release date: | 2005-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Delineation of a Unique Protein-Protein Interaction Site on the Surface of the Estrogen Receptor Proc.Natl.Acad.Sci.USA, 102, 2005
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8D3G
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![BU of 8d3g by Molmil](/molmil-images/mine/8d3g) | |
5F9T
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![BU of 5f9t by Molmil](/molmil-images/mine/5f9t) | Crystal Structure of Streptococcus pneumoniae NanC, covalent complex with a fluorinated Neu5Ac derivative | Descriptor: | (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, GLYCEROL, ... | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-12-10 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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2BKX
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![BU of 2bkx by Molmil](/molmil-images/mine/2bkx) | |
8ECH
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![BU of 8ech by Molmil](/molmil-images/mine/8ech) | |
5G0S
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![BU of 5g0s by Molmil](/molmil-images/mine/5g0s) | InhA in complex with a DNA encoded library hit | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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3JTK
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![BU of 3jtk by Molmil](/molmil-images/mine/3jtk) | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055 | Descriptor: | (2R)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-12 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055 To be Published
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3L3P
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![BU of 3l3p by Molmil](/molmil-images/mine/3l3p) | Crystal structure of the C-terminal domain of Shigella type III effector IpaH9.8, with a novel domain swap | Descriptor: | IpaH9.8 | Authors: | Seyedarabi, A, Sullivan, J.A, Sasakawa, C, Pickersgill, R.W. | Deposit date: | 2009-12-17 | Release date: | 2010-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A disulfide driven domain swap switches off the activity of Shigella IpaH9.8 E3 ligase Febs Lett., 584, 2010
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3L41
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![BU of 3l41 by Molmil](/molmil-images/mine/3l41) | Crystal Structure of S. pombe Brc1 BRCT5-BRCT6 domains in complex with phosphorylated H2A | Descriptor: | BRCT-containing protein 1, phosphorylated H2A tail | Authors: | Williams, R.S, Williams, J.S, Guenther, G, Tainer, J.A. | Deposit date: | 2009-12-18 | Release date: | 2010-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | gammaH2A binds Brc1 to maintain genome integrity during S-phase. Embo J., 29, 2010
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2C0D
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![BU of 2c0d by Molmil](/molmil-images/mine/2c0d) | Structure of the mitochondrial 2-cys peroxiredoxin from Plasmodium falciparum | Descriptor: | THIOREDOXIN PEROXIDASE 2 | Authors: | Boucher, I.W, Brannigan, J.A, Wilkinson, A.J, Brzozowski, A.M, Muller, S. | Deposit date: | 2005-09-01 | Release date: | 2006-11-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural and Biochemical Characterisation of a Mitochondrial Peroxiredoxin from Plasmodium Falciparum Mol.Microbiol., 61, 2006
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3KCG
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![BU of 3kcg by Molmil](/molmil-images/mine/3kcg) | Crystal structure of the antithrombin-factor IXa-pentasaccharide complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, Antithrombin-III, ... | Authors: | Huntington, J.A, Johnson, D.J.D. | Deposit date: | 2009-10-21 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of factor IXa recognition by heparin-activated antithrombin revealed by a 1.7-A structure of the ternary complex. Proc.Natl.Acad.Sci.USA, 107, 2010
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5ET4
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![BU of 5et4 by Molmil](/molmil-images/mine/5et4) | Structure of RNase A-K7H/R10H in complex with 3'-CMP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTIDINE-3'-MONOPHOSPHATE, Ribonuclease pancreatic | Authors: | Blanco, J.A, Salazar, V.A, Moussaoui, M, Boix, E. | Deposit date: | 2015-11-17 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates. Biochim Biophys Acta Gen Subj, 1863, 2019
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