2VJ7
 
 | | Human BACE-1 in complex with 3-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-5-(2-oxo-1-pyrrolidinyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-06 | | Release date: | 2008-01-29 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
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2V4X
 | | Crystal Structure of Jaagsiekte Sheep Retrovirus Capsid N-terminal domain | | Descriptor: | CAPSID PROTEIN P27 | | Authors: | Mortuza, G.B, Goldstone, D.C, Pashley, C, Haire, L.F, Palmarini, M, Taylor, W.R, Stoye, J.P, Taylor, I.A. | | Deposit date: | 2008-09-30 | | Release date: | 2008-11-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the Capsid Amino-Terminal Domain from the Betaretrovirus, Jaagsiekte Sheep Retrovirus.
J.Mol.Biol., 386, 2009
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4Q7F
 | | 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with Adenosine. | | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 5' nucleotidase family protein, MAGNESIUM ION, ... | | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-04-24 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with Adenosine.
TO BE PUBLISHED
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4QGM
 | | Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center | | Descriptor: | Acireductone dioxygenase, CADMIUM ION | | Authors: | Milaczewska, A.M, Chruszcz, M, Shabalin, I.G, Cooper, D.R, Borowski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-05-23 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center
To be Published
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2W3L
 | | Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex | | Descriptor: | 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide, APOPTOSIS REGULATOR BCL-2 | | Authors: | Porter, J, Payne, A, de Candole, B, Ford, D, Hutchinson, B, Trevitt, G, Turner, J, Edwards, C, Watkins, C, Whitcombe, I, Davis, J, Stubberfield, C, Fisher, M, Lamers, M. | | Deposit date: | 2008-11-13 | | Release date: | 2008-12-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tetrahydroisoquinoline Amide Substituted Phenyl Pyrazoles as Selective Bcl-2 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3ARP
 | | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with DEQUALINIUM | | Descriptor: | Chitinase A, DEQUALINIUM, GLYCEROL | | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | | Deposit date: | 2010-12-09 | | Release date: | 2011-04-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
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3AUC
 | | A simplified BPTI variant with poly SER (C5S) amino acid tag at the c-terminus | | Descriptor: | Bovine pancreatic trypsin inhibitor, SULFATE ION | | Authors: | Islam, M.M, Kato, A, Khan, M.M.A, Noguchi, K, Yohda, M, Kidokoro, S.I, Kuroda, Y. | | Deposit date: | 2011-02-03 | | Release date: | 2012-02-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Effect of amino acid mutations on protein's solubility, function and structure characterized using short poly amino acid peptide tags
To be Published
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3AS1
 | | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with chelerythrine | | Descriptor: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Chitinase A, GLYCEROL | | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | | Deposit date: | 2010-12-09 | | Release date: | 2011-04-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
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3AV5
 | | Crystal structure of mouse DNA methyltransferase 1 with AdoHcy | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Takeshita, K, Suetake, I, Yamashita, E, Suga, M, Narita, H, Nakagawa, A, Tajima, S. | | Deposit date: | 2011-02-22 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1).
Proc.Natl.Acad.Sci.USA, 108, 2011
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3AV6
 | | Crystal structure of mouse DNA methyltransferase 1 with AdoMet | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYLMETHIONINE, ZINC ION | | Authors: | Takeshita, K, Suetake, I, Yamashita, E, Suga, M, Narita, H, Nakagawa, A, Tajima, S. | | Deposit date: | 2011-02-22 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1).
Proc.Natl.Acad.Sci.USA, 108, 2011
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3ARW
 | | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with chelerythrine | | Descriptor: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Chitinase A, GLYCEROL | | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | | Deposit date: | 2010-12-09 | | Release date: | 2011-04-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
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3ATL
 | | Crystal structure of trypsin complexed with benzamidine | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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2X6A
 | | Potassium Channel from Magnetospirillum Magnetotacticum | | Descriptor: | ATP-SENSITIVE INWARD RECTIFIER POTASSIUM CHANNEL 10, PHOSPHOCHOLINE, POTASSIUM ION | | Authors: | Clarke, O.B, Caputo, A.T, Hill, A.P, Vandenberg, J.I, Smith, B.J, Gulbis, J.M. | | Deposit date: | 2010-02-15 | | Release date: | 2010-06-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels.
Cell(Cambridge,Mass.), 141, 2010
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3AWJ
 | | Crystal structure of the Huperzia serrata polyketide synthase 1 complexed with CoA-SH | | Descriptor: | COENZYME A, Chalcone synthase-like polyketide synthase, SULFATE ION | | Authors: | Morita, H, Kondo, S, Kato, R, Sugio, S, Kohno, T, Abe, I. | | Deposit date: | 2011-03-23 | | Release date: | 2011-08-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis of unnatural alkaloid scaffolds by exploiting plant polyketide synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4QGX
 | | Crystal structure of the R132K:R111L:L121E mutant of Cellular Retinoic Acid Binding ProteinII complexed with a synthetic ligand (Merocyanine) at 1.47 angstrom resolution | | Descriptor: | (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal, Cellular retinoic acid-binding protein 2 | | Authors: | Nosrati, M, Yapici, I, Geiger, J.H. | | Deposit date: | 2014-05-26 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.471 Å) | | Cite: | "Turn-on" protein fluorescence: in situ formation of cyanine dyes.
J.Am.Chem.Soc., 137, 2015
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3AZD
 | | Crystal structure of tropomyosin N-terminal fragment at 0.98A resolution | | Descriptor: | short alpha-tropomyosin,transcription factor GCN4 | | Authors: | Meshcheryakov, V.A, Krieger, I, Kostyukova, A.S, Samatey, F.A. | | Deposit date: | 2011-05-23 | | Release date: | 2011-10-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Structure of a tropomyosin N-terminal fragment at 0.98 A resolution
Acta Crystallogr.,Sect.D, 67, 2011
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3AXC
 | | Crystal structure of linear diubiquitin | | Descriptor: | GLYCEROL, Ubiquitin | | Authors: | Rohaim, A, Kawasaki, M, Kato, R, Dikic, I, Wakatsuki, S. | | Deposit date: | 2011-04-01 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure of a compact conformation of linear diubiquitin
Acta Crystallogr.,Sect.D, 68, 2012
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2W7S
 | | SplA serine protease of Staphylococcus aureus (1.8A) | | Descriptor: | SERINE PROTEASE SPLA | | Authors: | Stec-Niemczyka, J, Pustelny, K, Kisielewska, M, Bista, M, Boulware, K.T, Stennicke, H.R, Thogersen, I.B, Daugherty, P.S, Enghild, J.J, Popowicz, G.M, Dubin, A, Potempa, J, Dubin, G. | | Deposit date: | 2008-12-30 | | Release date: | 2010-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Functional Characterization of Spla, an Exclusively Specific Protease of Staphylococcus Aureus
Biochem.J., 419, 2009
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3AXW
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2WFF
 | | Equine Rhinitis A Virus | | Descriptor: | P1 | | Authors: | Fry, E.E, Tuthill, T.J, Harlos, K, Walter, T.S, Knowles, N.J, Gropelli, E, Rowlands, D.J, Stuart, D.I. | | Deposit date: | 2009-04-05 | | Release date: | 2010-05-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Equine Rhinitis a Virus and its Low Ph Empty Particle: Clues Towards an Aphthovirus Entry Mechanism?
Plos Pathog., 5, 2009
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2YN7
 | | Crystal structure of an outer surface protein BBA66 from Borrelia burgdorferi | | Descriptor: | OUTER SURFACE PROTEIN | | Authors: | Brangulis, K, Petrovskis, I, Kazaks, A, Ranka, R, Baumanis, V, Tars, K. | | Deposit date: | 2012-10-12 | | Release date: | 2013-10-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure of the Infectious Phenotype-Associated Outer Surface Protein Bba66 from the Lyme Disease Agent Borrelia Burgdorferi.
Ticks Tick Borne Dis., 5, 2014
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2YPF
 | | Structure of the AvrBs3-DNA complex provides new insights into the initial thymine-recognition mechanism | | Descriptor: | 5'-D(*TP*AP*GP*AP*GP*GP*GP*TP*TP*AP*GP*GP*TP*TP *TP*AP*TP*AP*TP*AP*AP)-3', 5'-D(*TP*TP*TP*AP*TP*AP*TP*AP*AP*AP*CP*CP*TP*AP *AP*CP*CP*CP*TP*CP*TP*AP)-3', AVRBS3 | | Authors: | Stella, S, Molina, R, Yefimenko, I, Prieto, J, Silva, G.H, Bertonati, C, Juillerat, A, Duchateau, P, Montoya, G. | | Deposit date: | 2012-10-30 | | Release date: | 2013-08-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of the Avrbs3-DNA Complex Provides New Insights Into the Initial Thymine-Recognition Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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2Y7R
 | | DntR Inducer Binding Domain | | Descriptor: | LYSR-TYPE REGULATORY PROTEIN | | Authors: | Devesse, L, Smirnova, I, Lonneborg, R, Kapp, U, Brzezinski, P, Leonard, G.A, Dian, C. | | Deposit date: | 2011-02-01 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystal Structures of Dntr Inducer Binding Domains in Complex with Salicylate Offer Insights Into the Activation of Lysr-Type Transcriptional Regulators.
Mol.Microbiol., 81, 2011
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2W96
 | | Crystal Structure of CDK4 in complex with a D-type cyclin | | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1, GLYCEROL | | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | | Deposit date: | 2009-01-21 | | Release date: | 2009-03-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2YOH
 | | Plasmodium falciparum thymidylate kinase in complex with a urea-alpha- deoxythymidine inhibitor | | Descriptor: | 1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea, THYMIDYLATE KINASE | | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | | Deposit date: | 2012-10-24 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
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