3RUH
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2XJV
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![BU of 2xjv by Molmil](/molmil-images/mine/2xjv) | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae with mutation D201T in complex with calcium and glucose | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | Deposit date: | 2010-07-06 | Release date: | 2010-12-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast Proc.Natl.Acad.Sci.USA, 107, 2010
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2XMD
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![BU of 2xmd by Molmil](/molmil-images/mine/2xmd) | G117H mutant of human butyrylcholinesterase in complex with echothiophate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nachon, F, Carletti, E, Wandhammer, M, Nicolet, Y, Schopfer, L.M, Masson, P, Lockridge, O. | Deposit date: | 2010-07-27 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-Ray Crystallographic Snapshots of Reaction Intermediates in the G117H Mutant of Human Butyrylcholinesterase, a Nerve Agent Target Engineered Into a Catalytic Bioscavenge Biochem.J., 434, 2011
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2XJU
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![BU of 2xju by Molmil](/molmil-images/mine/2xju) | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae with mutation S227A in complex with calcium and a1,2-mannobiose | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | Deposit date: | 2010-07-06 | Release date: | 2010-12-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast Proc.Natl.Acad.Sci.USA, 107, 2010
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2V5Y
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![BU of 2v5y by Molmil](/molmil-images/mine/2v5y) | Crystal structure of the receptor protein tyrosine phosphatase mu ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE MU, SODIUM ION | Authors: | Aricescu, A.R, Siebold, C, Choudhuri, K, Chang, V.T, Lu, W, Davis, S.J, van der Merwe, P.A, Jones, E.Y. | Deposit date: | 2007-07-11 | Release date: | 2007-09-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of a Tyrosine Phosphatase Adhesive Interaction Reveals a Spacer-Clamp Mechanism. Science, 317, 2007
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3SHA
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![BU of 3sha by Molmil](/molmil-images/mine/3sha) | Human Thrombin In Complex With UBTHR97 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-06-16 | Release date: | 2012-06-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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3U8R
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![BU of 3u8r by Molmil](/molmil-images/mine/3u8r) | Human thrombin complexed with D-Phe-Pro-D-Arg-Ile | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. | Deposit date: | 2011-10-17 | Release date: | 2012-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors. Plos One, 7, 2012
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3TT1
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3U9A
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![BU of 3u9a by Molmil](/molmil-images/mine/3u9a) | Human Thrombin In Complex With MI330 | Descriptor: | (2S)-N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-10-18 | Release date: | 2012-10-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Thrombin Inhibition To be Published
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3FVI
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![BU of 3fvi by Molmil](/molmil-images/mine/3fvi) | Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | Authors: | Pan, Y.H. | Deposit date: | 2009-01-15 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of a premicellar complex of alkyl sulfates with the interfacial binding surfaces of four subunits of phospholipase A2. Biochim.Biophys.Acta, 1804, 2010
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3GA5
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![BU of 3ga5 by Molmil](/molmil-images/mine/3ga5) | X-ray structure of glucose/galactose receptor from Salmonella typhimurium in complex with (2R)-glyceryl-beta-D-galactopyranoside | Descriptor: | (2R)-2,3-dihydroxypropyl beta-D-galactopyranoside, CALCIUM ION, D-galactose-binding periplasmic protein, ... | Authors: | Sooriyaarachchi, S, Ubhayasekera, W, Mowbray, S.L. | Deposit date: | 2009-02-16 | Release date: | 2009-04-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | X-ray structure of glucose/galactose receptor from Salmonella typhimurium in complex with the physiological ligand, (2R)-glyceryl-beta-D-galactopyranoside Febs J., 276, 2009
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2Y1K
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![BU of 2y1k by Molmil](/molmil-images/mine/2y1k) | STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY CBDP (12H SOAK): PHOSPHOSERINE ADDUCT | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLINESTERASE, ... | Authors: | Carletti, E, Colletier, J.P, Nachon, F, Weik, M. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Reaction of Cresyl Saligenin Phosphate, the Organophosphorus Agent Implicated in Aerotoxic Syndrome, with Human Cholinesterases: Mechanistic Studies Employing Kinetics, Mass Spectrometry, and X-Ray Structure Analysis. Chem.Res.Toxicol., 24, 2011
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2XZK
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![BU of 2xzk by Molmil](/molmil-images/mine/2xzk) | THE ASPERGILLUS FUMIGATUS SIALIDASE IS A KDNASE: STRUCTURAL AND MECHANISTIC INSIGHTS | Descriptor: | (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CHLORIDE ION, ... | Authors: | Telford, J.C, Yeung, J.H.F, Kiefel, M.J, Watts, A.G, Hader, S, Chan, J, Bennet, A.J, Moore, M.M, Taylor, G.L. | Deposit date: | 2010-11-26 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Aspergillus Fumigatus Sialidase is a Kdnase: Structural and Mechanistic Insights. J.Biol.Chem., 286, 2011
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3SIT
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3TXJ
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![BU of 3txj by Molmil](/molmil-images/mine/3txj) | HEWL co-crystallization with NAG with silicone oil as the cryoprotectant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J. | Deposit date: | 2011-09-23 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals. J.Appl.Crystallogr., 46, 2013
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2WPD
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![BU of 2wpd by Molmil](/molmil-images/mine/2wpd) | The Mg.ADP inhibited state of the yeast F1c10 ATP synthase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE SUBUNIT 9, ... | Authors: | Dautant, A, Velours, J, Giraud, M.-F. | Deposit date: | 2009-08-05 | Release date: | 2010-07-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.432 Å) | Cite: | Crystal Structure of the Mg.Adp-Inhibited State of the Yeast F1C10-ATP Synthase. J.Biol.Chem., 285, 2010
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3U8T
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![BU of 3u8t by Molmil](/molmil-images/mine/3u8t) | Human thrombin complexed with D-Phe-Pro-D-Arg-Cys | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. | Deposit date: | 2011-10-17 | Release date: | 2012-04-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors. Plos One, 7, 2012
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3DKK
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![BU of 3dkk by Molmil](/molmil-images/mine/3dkk) | Aged Form of Human Butyrylcholinesterase Inhibited by Tabun | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Nachon, F, Carletti, E. | Deposit date: | 2008-06-25 | Release date: | 2008-12-02 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation. J.Am.Chem.Soc., 130, 2008
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3GYZ
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![BU of 3gyz by Molmil](/molmil-images/mine/3gyz) | Crystal structure of IpgC from Shigella flexneri | Descriptor: | Chaperone protein ipgC, GLYCEROL, SODIUM ION, ... | Authors: | Lunelli, M, Lokareddy, R.K, Zychlinsky, A, Kolbe, M. | Deposit date: | 2009-04-06 | Release date: | 2009-06-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | IpaB-IpgC interaction defines binding motif for type III secretion translocator Proc.Natl.Acad.Sci.USA, 106, 2009
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3H1V
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![BU of 3h1v by Molmil](/molmil-images/mine/3h1v) | Human glucokinase in complex with a synthetic activator | Descriptor: | 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione, Glucokinase, SODIUM ION, ... | Authors: | Kamata, K, Takahashi, K. | Deposit date: | 2009-04-14 | Release date: | 2009-10-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators. Bioorg.Med.Chem., 17, 2009
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3T5F
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![BU of 3t5f by Molmil](/molmil-images/mine/3t5f) | Human Thrombin In Complex With MI340 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-07-27 | Release date: | 2012-08-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RMO
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![BU of 3rmo by Molmil](/molmil-images/mine/3rmo) | Human Thrombin in complex with MI004 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-04-21 | Release date: | 2012-04-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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2VX5
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![BU of 2vx5 by Molmil](/molmil-images/mine/2vx5) | CELLVIBRIO JAPONICUS MANNANASE CJMAN26C MANNOSE-BOUND FORM | Descriptor: | CELLVIBRIO JAPONICUS MANNANASE CJMAN26C, SODIUM ION, beta-D-mannopyranose | Authors: | Cartmell, A, Topakas, E, Ducros, V.M.-A, Suits, M.D.L, Davies, G.J, Gilbert, H.J. | Deposit date: | 2008-07-01 | Release date: | 2008-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The Cellvibrio Japonicus Mannanase Cjman26C Displays a Unique Exo-Mode of Action that is Conferred by Subtle Changes to the Distal Region of the Active Site. J.Biol.Chem., 283, 2008
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3RM0
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![BU of 3rm0 by Molmil](/molmil-images/mine/3rm0) | Human Thrombin in complex with MI354 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-04-20 | Release date: | 2012-04-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3SP3
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![BU of 3sp3 by Molmil](/molmil-images/mine/3sp3) | Lysozyme in 20% sucrose | Descriptor: | CHLORIDE ION, Lysozyme, SODIUM ION, ... | Authors: | Sharma, P, Solanki, A.K, Ashish | Deposit date: | 2011-07-01 | Release date: | 2011-07-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Lysozyme in 20% sucrose to be published
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