2VTN
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2W17
| CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b | Descriptor: | ACETATE ION, CELL DIVISION PROTEIN KINASE 2, N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine | Authors: | Jones, C.D, Andrews, D.M, Barker, A.J, Blades, K, Daunt, P, East, S, Geh, C, Graham, M.A, Johnson, K.M, Loddick, S.A, McFarland, H.M, McGregor, A, Moss, L, Rudge, D.A, Simpson, P.B, Swain, M.L, Tam, K.Y, Tucker, J.A, Walker, M, Brassington, C, Haye, H, McCall, E. | Deposit date: | 2008-10-15 | Release date: | 2008-11-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Discovery of Azd5597, a Potent Imidazole Pyrimidine Amide Cdk Inhibitor Suitable for Intravenous Dosing. Bioorg.Med.Chem.Lett., 18, 2008
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2VTS
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2VTQ
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2VTI
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2W1D
| Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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1I6P
| CRYSTAL STRUCTURE OF E. COLI BETA CARBONIC ANHYDRASE (ECCA) | Descriptor: | CARBONIC ANHYDRASE, ZINC ION | Authors: | Cronk, J.D, Endrizzi, J.A, Cronk, M.R, O'Neill, J.W, Zhang, K.Y.J. | Deposit date: | 2001-03-02 | Release date: | 2001-05-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of E. coli beta-carbonic anhydrase, an enzyme with an unusual pH-dependent activity. Protein Sci., 10, 2001
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2WWG
| Plasmodium falciparum thymidylate kinase in complex with dGMP and ADP | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2009-10-23 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase. Biochem.J., 428, 2010
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1MNG
| STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS | Descriptor: | AZIDE ION, MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE | Authors: | Lah, M.S, Dixon, M, Pattridge, K.A, Stallings, W.C, Fee, J.A, Ludwig, M.L. | Deposit date: | 1994-07-13 | Release date: | 1994-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus. Biochemistry, 34, 1995
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2LFW
| NMR structure of the PhyRSL-NepR complex from Sphingomonas sp. Fr1 | Descriptor: | NepR anti sigma factor, PhyR sigma-like domain | Authors: | Campagne, S, Damberger, F.F, Vorholt, J.A, Allain, F.H.-T. | Deposit date: | 2011-07-18 | Release date: | 2012-04-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for sigma factor mimicry in the general stress response of Alphaproteobacteria. Proc.Natl.Acad.Sci.USA, 109, 2012
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2XM3
| Deinococcus radiodurans ISDra2 Transposase Left end DNA complex | Descriptor: | 5'-D(*TP*TP*AP*GP*T)-3', ACETATE ION, DRA2 TRANSPOSASE BINDING ELEMENT, ... | Authors: | Hickman, A.B, James, J.A, Barabas, O, Pasternak, C, Ton-Hoang, B, Chandler, M, Sommer, S, Dyda, F. | Deposit date: | 2010-07-22 | Release date: | 2010-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DNA Recognition and the Precleavage State During Single-Stranded DNA Transposition in D. Radiodurans. Embo J., 29, 2010
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2LSA
| Magainin | Descriptor: | Magainin-2 | Authors: | Vermeer, L.S, Mason, J.A. | Deposit date: | 2012-04-24 | Release date: | 2013-04-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | All Atom Simulations of the Initial Binding of Magainin and Pleurocidin to Membranes Comprising a Mixture of Anionic and Zwitterionic Lipids To be Published
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6SHV
| T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine | Descriptor: | 5-(4-fluoranylphenoxy)pyridin-2-amine, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | Deposit date: | 2019-08-08 | Release date: | 2020-08-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.808 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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2XLL
| The crystal structure of bilirubin oxidase from Myrothecium verrucaria | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIRUBIN OXIDASE, COPPER (II) ION | Authors: | McNamara, T.P, Lowe, E.D, Cracknell, J.A, Blanford, C.F. | Deposit date: | 2010-07-21 | Release date: | 2011-04-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.305 Å) | Cite: | Bilirubin Oxidase from Myrothecium Verrucaria: X- Ray Determination of the Complete Crystal Structure and a Rational Surface Modification for Enhanced Electrocatalytic O(2) Reduction. Dalton Trans, 40, 2011
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2XHL
| Structure of a functional derivative of Clostridium botulinum neurotoxin type B | Descriptor: | BOTULINUM NEUROTOXIN B HEAVY CHAIN, BOTULINUM NEUROTOXIN B LIGHT CHAIN, ZINC ION | Authors: | Masuyer, G, Beard, M, Cadd, V.A, Chaddock, J.A, Acharya, K.R. | Deposit date: | 2010-06-18 | Release date: | 2010-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and Activity of a Functional Derivative of Clostridium Botulinum Neurotoxin B. J.Struct.Biol., 174, 2011
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2XID
| Pilus-presented adhesin, Spy0125 (Cpa), P212121 form (DLS) | Descriptor: | ANCILLARY PROTEIN 1 | Authors: | Pointon, J.A, Smith, W.D, Saalbach, G, Crow, A, Kehoe, M.A, Banfield, M.J. | Deposit date: | 2010-06-28 | Release date: | 2010-08-04 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Highly Unusual Thioester Bond in a Pilus Adhesin Required for Efficient Host Cell Interaction J.Biol.Chem., 285, 2010
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2WKF
| Crystal Structure of Macrophage Migration Inhibitory Factor from Plasmodium falciparum | Descriptor: | GLYCEROL, MACROPHAGE MIGRATION INHIBITORY FACTOR | Authors: | Dobson, S.E, Augustijn, K.D, Brannigan, J.A, Dodson, E.J, Waters, A.P, Wilkinson, A.J. | Deposit date: | 2009-06-11 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The crystal structures of macrophage migration inhibitory factor from Plasmodium falciparum and Plasmodium berghei. Protein Sci., 18, 2009
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1WWJ
| crystal structure of KaiB from Synechocystis sp. | Descriptor: | Circadian clock protein kaiB, D-MALATE, IMIDAZOLE, ... | Authors: | Hitomi, K, Oyama, T, Han, S, Arvai, A.S, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2005-01-06 | Release date: | 2005-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tetrameric architecture of the circadian clock protein KaiB. A novel interface for intermolecular interactions and its impact on the circadian rhythm. J.Biol.Chem., 280, 2005
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2WW5
| 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae at 1.6 A resolution | Descriptor: | 1,4-BETA-N-ACETYLMURAMIDASE, CHLORIDE ION, CHOLINE ION, ... | Authors: | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L, Menendez, M. | Deposit date: | 2009-10-21 | Release date: | 2010-04-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc. Nat.Struct.Mol.Biol., 17, 2010
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2WK8
| Structure of holo form of Vibrio cholerae CqsA | Descriptor: | CAI-1 AUTOINDUCER SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Jahan, N, Potter, J.A, Sheikh, M.A, Botting, C.H, Shirran, S.L, Westwood, N.J, Taylor, G.L. | Deposit date: | 2009-06-08 | Release date: | 2009-07-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa. J.Mol.Biol., 392, 2009
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2FD3
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2X5N
| Crystal Structure of the SpRpn10 VWA domain | Descriptor: | 26S PROTEASOME REGULATORY SUBUNIT RPN10, SULFATE ION | Authors: | Riedinger, C, Boehringer, J, Trempe, J.-F, Lowe, E.D, Brown, N.R, Gehring, K, Noble, M.E.M, Gordon, C, Endicott, J.A. | Deposit date: | 2010-02-10 | Release date: | 2010-08-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Structure of Rpn10 and its Interactions with Polyubiquitin Chains and the Proteasome Subunit Rpn12. J.Biol.Chem., 285, 2010
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2MNF
| AIK-18/51 DNA recognition sequence d(CGACTAGTCG)2 | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3' | Authors: | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | Deposit date: | 2014-04-03 | Release date: | 2014-07-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Recognition of the DNA minor groove by thiazotropsin analogues. Chembiochem, 15, 2014
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1H2B
| Crystal Structure of the Alcohol Dehydrogenase from the Hyperthermophilic Archaeon Aeropyrum pernix at 1.65A Resolution | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), OCTANOIC ACID (CAPRYLIC ACID), ... | Authors: | Guy, J.E, Isupov, M.N, Littlechild, J.A. | Deposit date: | 2002-08-02 | Release date: | 2003-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The structure of an alcohol dehydrogenase from the hyperthermophilic archaeon Aeropyrum pernix. J.Mol.Biol., 331, 2003
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2FLA
| Structure of thereduced HiPIP from thermochromatium tepidum at 0.95 angstrom resolution | Descriptor: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | Authors: | Hunsicker-Wang, L.M, Stout, C.D, Fee, J.A. | Deposit date: | 2006-01-05 | Release date: | 2006-12-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of HiPIP: a geometric, crystallographic, and theoretical study. To be Published
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