2X6Y
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![BU of 2x6y by Molmil](/molmil-images/mine/2x6y) | Tailspike protein mutant D339A of E.coli bacteriophage HK620 in complex with hexasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, TAIL SPIKE PROTEIN, ... | Authors: | Lorenzen, N.K, Mueller, J.J, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2010-02-22 | Release date: | 2011-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity. Glycobiology, 23, 2013
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2X7K
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![BU of 2x7k by Molmil](/molmil-images/mine/2x7k) | The crystal structure of PPIL1 in complex with cyclosporine A suggests a binding mode for SKIP | Descriptor: | CADMIUM ION, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 1, ... | Authors: | Stegmann, C.M, Luehrmann, R, Wahl, M.C. | Deposit date: | 2010-03-01 | Release date: | 2010-03-23 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | The Crystal Structure of Ppil1 Bound to Cyclosporine a Suggests a Binding Mode for a Linear Epitope of the Skip Protein. Plos One, 5, 2010
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8I61
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![BU of 8i61 by Molmil](/molmil-images/mine/8i61) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, CITRIC ACID, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I6B
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![BU of 8i6b by Molmil](/molmil-images/mine/8i6b) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I | Descriptor: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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3EXC
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![BU of 3exc by Molmil](/molmil-images/mine/3exc) | Structure of the RNA'se SSO8090 from Sulfolobus solfataricus | Descriptor: | CHLORIDE ION, SODIUM ION, Uncharacterized protein | Authors: | Singer, A.U, Skarina, T, Tan, K, Kagan, O, Onopriyenko, O, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-10-16 | Release date: | 2008-11-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the RNA'se SSO8090 from Sulfolobus solfataricus To be Published
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2X85
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![BU of 2x85 by Molmil](/molmil-images/mine/2x85) | Tailspike protein of E. coli bacteriophage HK620 in complex with hexasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, TAILSPIKE PROTEIN HK620, ... | Authors: | Lorenzen, N.K, Mueller, J.J, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2010-03-05 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity. Glycobiology, 23, 2013
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1ZPK
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![BU of 1zpk by Molmil](/molmil-images/mine/1zpk) | Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2 | Descriptor: | CHLORIDE ION, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN, ... | Authors: | Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J. | Deposit date: | 2005-05-17 | Release date: | 2006-04-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Mutational Study of Pseudopeptide Inhibitor Binding to HIV-1 Protease; Analysis of Four X-ray Structures To be Published
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8JUR
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![BU of 8jur by Molmil](/molmil-images/mine/8jur) | Crystal structure of Chitoporin from Vibrio harveyi in complex with gentamicin c1a (multiple binding sites) | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Chitoporin, ... | Authors: | Sanram, S, Suginta, W, Robinson, R. | Deposit date: | 2023-06-27 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Crystal structure of Chitoporin from Vibrio harveyi in complex with gentamicin c1a (multiple binding sites) To Be Published
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3E5U
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![BU of 3e5u by Molmil](/molmil-images/mine/3e5u) | OCPA complexed CprK (C200S) | Descriptor: | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID, Cyclic nucleotide-binding protein, PHOSPHATE ION, ... | Authors: | Levy, C. | Deposit date: | 2008-08-14 | Release date: | 2008-09-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Molecular basis of halorespiration control by CprK, a CRP-FNR type transcriptional regulator Mol.Microbiol., 70, 2008
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1ZQT
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![BU of 1zqt by Molmil](/molmil-images/mine/1zqt) | |
2XC4
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![BU of 2xc4 by Molmil](/molmil-images/mine/2xc4) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | Deposit date: | 2010-04-16 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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8KB2
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![BU of 8kb2 by Molmil](/molmil-images/mine/8kb2) | Crystal Structure of M- and C-Domains of the shaft pilin LrpA from Ligilactobacillus ruminis - iodide derivative | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Prajapati, A, Palva, A, von Ossowski, I, Krishnan, V. | Deposit date: | 2023-08-03 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | The crystal structure of the N-terminal domain of the backbone pilin LrpA reveals a new closure-and-twist motion for assembling dynamic pili in Ligilactobacillus ruminis. Acta Crystallogr D Struct Biol, 80, 2024
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1US3
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![BU of 1us3 by Molmil](/molmil-images/mine/1us3) | Native xylanase10C from Cellvibrio japonicus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-BETA-1,4-XYLANASE PRECURSOR, GLYCEROL, ... | Authors: | Pell, G, Szabo, L, Charnock, S.J, Xie, H, Gloster, T.M, Davies, G.J, Gilbert, H.J. | Deposit date: | 2003-11-17 | Release date: | 2003-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biochemical Analysis of Cellvibrio Japonicus Xylanase 10C: How Variation in Substrate-Binding Cleft Influences the Catalytic Profile of Family Gh-10 Xylanases J.Biol.Chem., 279, 2004
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2XMK
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![BU of 2xmk by Molmil](/molmil-images/mine/2xmk) | Visualising the Metal-binding Versatility of Copper Trafficking Sites: Atx1 side-to-side (anaerobic) | Descriptor: | CHLORIDE ION, COPPER (II) ION, SODIUM ION, ... | Authors: | Badarau, A, Firbank, S.J, McCarthy, A.A, Banfield, M.J, Dennison, C. | Deposit date: | 2010-07-28 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Visualizing the Metal-Binding Versatility of Copper Trafficking Sites . Biochemistry, 49, 2010
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8KG4
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![BU of 8kg4 by Molmil](/molmil-images/mine/8kg4) | Crystal Structure of M- and C-Domains of the shaft pilin LrpA from Ligilactobacillus ruminis - orthorhombic form | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ... | Authors: | Prajapati, A, Palva, A, von Ossowski, I, Krishnan, V. | Deposit date: | 2023-08-17 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The crystal structure of the N-terminal domain of the backbone pilin LrpA reveals a new closure-and-twist motion for assembling dynamic pili in Ligilactobacillus ruminis. Acta Crystallogr D Struct Biol, 80, 2024
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1Y5Y
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![BU of 1y5y by Molmil](/molmil-images/mine/1y5y) | Structure of the tetrahydromethanopterin dependent formaldehyde-activating enzyme (Fae) from Methylobacterium extorquens AM1 | Descriptor: | CALCIUM ION, Formaldehyde-activating enzyme fae, SODIUM ION | Authors: | Acharya, P, Goenrich, M, Hagemeier, C.H, Demmer, U, Vorholt, J.A, Thauer, R.K, Ermler, U. | Deposit date: | 2004-12-03 | Release date: | 2005-01-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | How an enzyme binds the C1-carrier tetrahydromethanopterin: Structure of the tetrahydromethanopterin dependent formaldehyde-activating enzyme (Fae) from Methylobacterium extorquens AM1 J.Biol.Chem., 280, 2005
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2XC0
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![BU of 2xc0 by Molmil](/molmil-images/mine/2xc0) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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3EPI
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![BU of 3epi by Molmil](/molmil-images/mine/3epi) | |
2V5I
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![BU of 2v5i by Molmil](/molmil-images/mine/2v5i) | Structure of the receptor-binding protein of bacteriophage Det7: a podoviral tailspike in a myovirus | Descriptor: | SALMONELLA TYPHIMURIUM DB7155 BACTERIOPHAGE DET7 TAILSPIKE, SODIUM ION | Authors: | Walter, M, Fiedler, C, Grassl, R, Biebl, M, Rachel, R, Hermo-Parrado, X.L, Llamas-Saiz, A.L, Seckler, R, Miller, S, van Raaij, M.J. | Deposit date: | 2007-07-05 | Release date: | 2008-02-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the Receptor-Binding Protein of Bacteriophage Det7: A Podoviral Tail Spike in a Myovirus. J.Virol., 82, 2008
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8IG1
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![BU of 8ig1 by Molmil](/molmil-images/mine/8ig1) | Crystal structure of wild-type transthyretin in complex with rafoxanide | Descriptor: | SODIUM ION, Transthyretin, ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide | Authors: | Yokoyama, T. | Deposit date: | 2023-02-20 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Rafoxanide, a salicylanilide anthelmintic, interacts with human plasma protein transthyretin. Febs J., 290, 2023
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2UUK
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![BU of 2uuk by Molmil](/molmil-images/mine/2uuk) | Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution | Descriptor: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-03 | Release date: | 2007-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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2V8C
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![BU of 2v8c by Molmil](/molmil-images/mine/2v8c) | Mouse Profilin IIa in complex with the proline-rich domain of VASP | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, PROFILIN-2, ... | Authors: | Kursula, P, Downer, J, Witke, W, Wilmanns, M. | Deposit date: | 2007-08-06 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp. J.Mol.Biol., 375, 2008
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2V3U
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![BU of 2v3u by Molmil](/molmil-images/mine/2v3u) | Structure of the ligand-binding core of the ionotropic glutamate receptor-like GluRdelta2 in complex with D-serine | Descriptor: | CHLORIDE ION, D-SERINE, GLUTAMATE RECEPTOR DELTA-2 SUBUNIT, ... | Authors: | Naur, P, Vestergaard, B, Gajhede, M, Kastrup, J.S. | Deposit date: | 2007-06-22 | Release date: | 2007-08-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Ionotropic Glutamate-Like Receptor {Delta}2 Binds D-Serine and Glycine. Proc.Natl.Acad.Sci.USA, 104, 2007
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2VBT
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![BU of 2vbt by Molmil](/molmil-images/mine/2vbt) | Riboflavin kinase Mj0056 from Methanocaldococcus jannaschii in complex with CDP and PO4 | Descriptor: | CYTIDINE-5'-DIPHOSPHATE, PHOSPHATE ION, RIBOFLAVIN KINASE, ... | Authors: | Hartmann, M.D, Ammelburg, M, Djuranovic, S, Martin, J, Lupas, A.N, Zeth, K. | Deposit date: | 2007-09-16 | Release date: | 2007-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Ctp-Dependent Archaeal Riboflavin Kinase Forms a Bridge in the Evolution of Cradle-Loop Barrels. Structure, 15, 2007
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2VJP
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![BU of 2vjp by Molmil](/molmil-images/mine/2vjp) | Formyl-CoA transferase mutant variant W48F | Descriptor: | FORMYL-COENZYME A TRANSFERASE, SODIUM ION | Authors: | Toyota, C.G, Berthold, C.L, Gruez, A, Jonsson, S, Lindqvist, Y, Cambillau, C, Richards, N.G.J. | Deposit date: | 2007-12-11 | Release date: | 2008-01-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Differential Substrate Specificity and Kinetic Behavior of Escherichia Coli Yfdw and Oxalobacter Formigenes Formyl Coenzyme a Transferase. J.Bacteriol., 190, 2008
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