2VIW
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![BU of 2viw by Molmil](/molmil-images/mine/2viw) | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator. J.Med.Chem., 51, 2008
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2VG6
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![BU of 2vg6 by Molmil](/molmil-images/mine/2vg6) | Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors | Descriptor: | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | Authors: | Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M. | Deposit date: | 2007-11-08 | Release date: | 2007-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors. Biochem.Biophys.Res.Commun., 365, 2008
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2VN6
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![BU of 2vn6 by Molmil](/molmil-images/mine/2vn6) | The Clostridium cellulolyticum dockerin displays a dual binding mode for its cohesin partner | Descriptor: | CALCIUM ION, ENDOGLUCANASE A, SCAFFOLDING PROTEIN | Authors: | Pinheiro, B.A, Prates, J.A.M, Proctor, M.R, Gilbert, H.J, Davies, G.J, Money, V.A, Martinez-Fleites, C, Bayer, E.A, Fontes, C.M.G.A, Fierobe, H.P. | Deposit date: | 2008-01-31 | Release date: | 2008-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | The Clostridium Cellulolyticum Dockerin Displays a Dual Binding Mode for its Cohesin Partner. J.Biol.Chem., 283, 2008
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2VC8
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2VIV
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![BU of 2viv by Molmil](/molmil-images/mine/2viv) | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator. J.Med.Chem., 51, 2008
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2VJ2
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![BU of 2vj2 by Molmil](/molmil-images/mine/2vj2) | Human Jagged-1, domains DSL and EGFs1-3 | Descriptor: | D-MALATE, JAGGED-1 | Authors: | Johnson, S, Cordle, J, Tay, J.Z, Roversi, P, Handford, P.A, Lea, S.M. | Deposit date: | 2007-12-06 | Release date: | 2008-07-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Conserved Face of the Jagged/Serrate Dsl Domain is Involved in Notch Trans-Activation and Cis-Inhibition. Nat.Struct.Mol.Biol., 15, 2008
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2VJF
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![BU of 2vjf by Molmil](/molmil-images/mine/2vjf) | Crystal Structure of the MDM2-MDMX RING Domain Heterodimer | Descriptor: | CITRATE ANION, E3 UBIQUITIN-PROTEIN LIGASE MDM2, MDM4 PROTEIN, ... | Authors: | Mace, P.D, Linke, K, Smith, C.A, Day, C.L. | Deposit date: | 2007-12-10 | Release date: | 2008-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Mdm2/Mdmx Ring Domain Heterodimer Reveals Dimerization is Required for Their Ubiquitylation in Trans. Cell Death Differ., 15, 2008
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2VK6
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![BU of 2vk6 by Molmil](/molmil-images/mine/2vk6) | THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, EXO-ALPHA-SIALIDASE, ... | Authors: | Newstead, S.L, Potter, J.A, Wilson, J.C, Xu, G, Chien, C.H, Watts, A.G, Withers, S.G, Taylor, G.L. | Deposit date: | 2007-12-17 | Release date: | 2008-01-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates. J.Biol.Chem., 283, 2008
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2VA5
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![BU of 2va5 by Molmil](/molmil-images/mine/2va5) | X-ray crystal structure of beta secretase complexed with compound 8c | Descriptor: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | Deposit date: | 2007-08-30 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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2V02
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![BU of 2v02 by Molmil](/molmil-images/mine/2v02) | Recombinant vertebrate calmodulin complexed with Ba | Descriptor: | BARIUM ION, CALCIUM ION, CALMODULIN | Authors: | Kursula, P, Majava, V. | Deposit date: | 2007-05-04 | Release date: | 2007-08-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Structural Insight Into Lead Neurotoxicity and Calmodulin Activation by Heavy Metals. Acta Crystallogr.,Sect.F, 63, 2007
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2V76
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![BU of 2v76 by Molmil](/molmil-images/mine/2v76) | Crystal structure of the human dok1 PTB domain | Descriptor: | 1,2-ETHANEDIOL, DOCKING PROTEIN 1, GLYCEROL, ... | Authors: | Oxley, C.L, Anthis, N.J, Lowe, E.D, Campbell, I.D, Wegener, K.L. | Deposit date: | 2007-07-26 | Release date: | 2008-01-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An Integrin Phosphorylation Switch: The Effect of {Beta}3 Integrin Tail Phosphorylation on Dok1 and Talin Binding. J.Biol.Chem., 283, 2008
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2UWO
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![BU of 2uwo by Molmil](/molmil-images/mine/2uwo) | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa | Descriptor: | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, COAGULATION FACTOR X | Authors: | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P. | Deposit date: | 2007-03-22 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa. Bioorg.Med.Chem.Lett., 17, 2007
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2V01
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![BU of 2v01 by Molmil](/molmil-images/mine/2v01) | Recombinant vertebrate calmodulin complexed with Pb | Descriptor: | CALCIUM ION, CALMODULIN, LEAD (II) ION | Authors: | Kursula, P, Majava, V. | Deposit date: | 2007-05-04 | Release date: | 2007-08-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Structural Insight Into Lead Neurotoxicity and Calmodulin Activation by Heavy Metals. Acta Crystallogr.,Sect.F, 63, 2007
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2V24
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![BU of 2v24 by Molmil](/molmil-images/mine/2v24) | Structure of the human SPRY domain-containing SOCS box protein SSB-4 | Descriptor: | NICKEL (II) ION, SPRY DOMAIN-CONTAINING SOCS BOX PROTEIN 4 | Authors: | Uppenberg, J, Bullock, A, Keates, T, Savitsky, P, Pike, A.C.W, Ugochukwu, E, Bunkoczi, G, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S. | Deposit date: | 2007-05-31 | Release date: | 2007-07-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Par-4 Recognition by the Spry Domain-and Socs Box-Containing Proteins Spsb1, Spsb2, and Spsb4. J.Mol.Biol., 401, 2010
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2VK5
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![BU of 2vk5 by Molmil](/molmil-images/mine/2vk5) | THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES | Descriptor: | CALCIUM ION, EXO-ALPHA-SIALIDASE, GLYCEROL | Authors: | Newstead, S.L, Potter, J.A, Wilson, J.C, Xu, G, Chien, C.H, Watts, A.G, Withers, S.G, Taylor, G.L. | Deposit date: | 2007-12-17 | Release date: | 2008-01-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates. J.Biol.Chem., 283, 2008
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2VA6
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![BU of 2va6 by Molmil](/molmil-images/mine/2va6) | X-ray crystal structure of beta secretase complexed with compound 24 | Descriptor: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA SECRETASE 1, IODIDE ION | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | Deposit date: | 2007-08-30 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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2UWL
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![BU of 2uwl by Molmil](/molmil-images/mine/2uwl) | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa | Descriptor: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, COAGULATION FACTOR X | Authors: | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P. | Deposit date: | 2007-03-22 | Release date: | 2007-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa. Bioorg.Med.Chem.Lett., 17, 2007
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2W73
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2WNE
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![BU of 2wne by Molmil](/molmil-images/mine/2wne) | Mutant Laminarinase 16A cyclizes laminariheptaose | Descriptor: | PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | Authors: | Vasur, J, Kawai, R, Andersson, E, Widmalm, G, Jonsson, K.H.M, Hansson, H, Engstrom, A, Einarsson, E, Forsberg, Z, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J. | Deposit date: | 2009-07-09 | Release date: | 2010-01-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Synthesis of Cyclic Beta-Glucan Using Laminarinase 16A Glycosynthase Mutant from the Basidiomycete Phanerochaete Chrysosporium. J.Am.Chem.Soc., 132, 2010
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2WNM
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![BU of 2wnm by Molmil](/molmil-images/mine/2wnm) | Solution structure of Gp2 | Descriptor: | GENE 2 | Authors: | Camara, B, Liu, M, Shadrinc, A, Liu, B, Simpson, P, Weinzierl, R, Severinovc, K, Cota, E, Matthews, S, Wigneshweraraj, S.R. | Deposit date: | 2009-07-13 | Release date: | 2010-02-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | T7 Phage Protein Gp2 Inhibits the Escherichia Coli RNA Polymerase by Antagonizing Stable DNA Strand Separation Near the Transcription Start Site. Proc.Natl.Acad.Sci.USA, 107, 2010
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2Y5F
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![BU of 2y5f by Molmil](/molmil-images/mine/2y5f) | FACTOR XA - CATION INHIBITOR COMPLEX | Descriptor: | (3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,2-OXAZOL-3-YL]-2-[3-[1-(2-HYDROXYETHYL)PYRROLIDIN-1-IUM-1-YL]PROPYL]-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZINE-1,3-DIONE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... | Authors: | Banner, D.W, Salonen, L.M, Holland, M.C, Haap, W, Benz, J, Diederich, F. | Deposit date: | 2011-01-13 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Molecular Recognition at the Active Site of Factor Xa: Cation-Pi Interactions, Stacking on Planar Peptide Surfaces, and Replacement of Structural Water. Chemistry, 18, 2012
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2Y4V
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2Y1Z
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![BU of 2y1z by Molmil](/molmil-images/mine/2y1z) | Human alphaB Crystallin ACD R120G | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-CRYSTALLIN B CHAIN | Authors: | Clark, A.R, Bagneris, C, Naylor, C.E, Keep, N.H, Slingsby, C. | Deposit date: | 2010-12-10 | Release date: | 2011-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of R120G Disease Mutant of Human Alphab-Crystallin Domain Dimer Shows Closure of a Groove J.Mol.Biol., 408, 2011
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2Y02
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![BU of 2y02 by Molmil](/molmil-images/mine/2y02) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND AGONIST CARMOTEROL | Descriptor: | BETA-1 ADRENERGIC RECEPTOR, CARMOTEROL, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | Deposit date: | 2010-11-30 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor Nature, 469, 2011
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2XDC
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![BU of 2xdc by Molmil](/molmil-images/mine/2xdc) | |