3BEL
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![BU of 3bel by Molmil](/molmil-images/mine/3bel) | X-ray structure of EGFR in complex with oxime inhibitor | Descriptor: | 4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime, Epidermal growth factor receptor, PHOSPHATE ION | Authors: | Abad, M.C, Xu, G, Neeper, M.P, Struble, G.T, Gaul, M.D, Connolly, P.J. | Deposit date: | 2007-11-19 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of novel 4-amino-6-arylaminopyrimidine-5-carbaldehyde oximes as dual inhibitors of EGFR and ErbB-2 protein tyrosine kinases. Bioorg.Med.Chem.Lett., 18, 2008
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3B0W
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![BU of 3b0w by Molmil](/molmil-images/mine/3b0w) | Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin | Descriptor: | DIGOXIN, Nuclear receptor ROR-gamma | Authors: | Fujita-Sato, S, Ito, S, Isobe, T, Ohyama, T, Wakabayashi, K, Morishita, K, Ando, O, Isono, F. | Deposit date: | 2011-06-17 | Release date: | 2011-07-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis of Digoxin That Antagonizes ROR{gamma}t Receptor Activity and Suppresses Th17 Cell Differentiation and Interleukin (IL)-17 Production J.Biol.Chem., 286, 2011
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3BHN
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3B98
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![BU of 3b98 by Molmil](/molmil-images/mine/3b98) | Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase | Authors: | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | Deposit date: | 2007-11-03 | Release date: | 2007-11-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change J.Biol.Chem., 283, 2008
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2ZDQ
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2ZGI
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![BU of 2zgi by Molmil](/molmil-images/mine/2zgi) | Crystal Structure of Putative 4-amino-4-deoxychorismate lyase | Descriptor: | DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE, Putative 4-amino-4-deoxychorismate lyase, ... | Authors: | Padmanabhan, B, Bessho, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-01-22 | Release date: | 2008-07-22 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure of putative 4-amino-4-deoxychorismate lyase from Thermus thermophilus HB8. Acta Crystallogr.,Sect.F, 65, 2009
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2ZIO
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![BU of 2zio by Molmil](/molmil-images/mine/2zio) | Crystal structure of the catalytic domain of pyrrolysyl-tRNA synthetase in complex with AlocLys-AMP and PNP | Descriptor: | 5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine, IMIDODIPHOSPHORIC ACID, Pyrrolysyl-tRNA synthetase | Authors: | Yanagisawa, T, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-02-19 | Release date: | 2008-12-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Multistep Engineering of Pyrrolysyl-tRNA Synthetase to Genetically Encode N(varepsilon)-(o-Azidobenzyloxycarbonyl) lysine for Site-Specific Protein Modification Chem.Biol., 15, 2008
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2ZBJ
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![BU of 2zbj by Molmil](/molmil-images/mine/2zbj) | Crystal structure of Dioclea rostrata lectin | Descriptor: | CALCIUM ION, Lectin alpha chain, MANGANESE (II) ION, ... | Authors: | de Oliveira, T.M, Delatorre, P, da Rocha, B.A.M, de Sousa, E.P, Nascimento, K.S, Bezerra, G.A, Moura, T.R, Benevides, R.G, Bezerra, E.H.S, Moreno, F.B.M.B, Freire, V.N, de Azevedo Jr, W.F, Cavada, B.S. | Deposit date: | 2007-10-22 | Release date: | 2008-08-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of Dioclea rostrata lectin: Insights into understanding the pH-dependent dimer-tetramer equilibrium and the structural basis for carbohydrate recognition in Diocleinae lectins J.Struct.Biol., 164, 2008
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2ZTU
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![BU of 2ztu by Molmil](/molmil-images/mine/2ztu) | T190A mutant of D-3-hydroxybutyrate dehydrogenase complexed with NAD+ | Descriptor: | D(-)-3-hydroxybutyrate dehydrogenase, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Nakashima, K, Nakajima, Y, Ito, K, Yoshimoto, T. | Deposit date: | 2008-10-09 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Closed complex of the D-3-hydroxybutyrate dehydrogenase induced by an enantiomeric competitive inhibitor. J.Biochem., 145, 2009
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2ZV8
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![BU of 2zv8 by Molmil](/molmil-images/mine/2zv8) | Lyn Tyrosine Kinase Domain-AMP-PNP complex | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase Lyn | Authors: | Williams, N.K, Rossjohn, J. | Deposit date: | 2008-11-04 | Release date: | 2008-11-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State J.Biol.Chem., 284, 2009
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2ZVA
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![BU of 2zva by Molmil](/molmil-images/mine/2zva) | Lyn Tyrosine Kinase Domain-Dasatinib complex | Descriptor: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase Lyn | Authors: | Williams, N.K, Rossjohn, J. | Deposit date: | 2008-11-04 | Release date: | 2008-11-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State J.Biol.Chem., 284, 2009
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2ZHZ
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![BU of 2zhz by Molmil](/molmil-images/mine/2zhz) | Crystal structure of a pduO-type ATP:cobalamin adenosyltransferase from Burkholderia thailandensis | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP:cob(I)alamin adenosyltransferase, putative, ... | Authors: | Moon, J.H, Park, A.K, Jang, E.H, Kim, H.S, Chi, Y.M. | Deposit date: | 2008-02-12 | Release date: | 2008-07-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a PduO-type ATP:cobalamin adenosyltransferase from Burkholderia thailandensis. Proteins, 72, 2008
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3B7T
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![BU of 3b7t by Molmil](/molmil-images/mine/3b7t) | [E296Q]LTA4H in complex with Arg-Ala-Arg substrate | Descriptor: | IMIDAZOLE, Leukotriene A-4 hydrolase, RAR peptide, ... | Authors: | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | Deposit date: | 2007-10-31 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design. Chem.Biol., 15, 2008
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3BFX
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![BU of 3bfx by Molmil](/molmil-images/mine/3bfx) | Crystal structure of human sulfotransferase SULT1C1 in complex with PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1C2 | Authors: | Dong, A, Dombrovski, L, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2007-11-23 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Human Sulfotransferases Sult1B1 and Sult1C1 Complexed with the Cofactor Product Adenosine-3'-5'-Diphosphate (Pap). Proteins, 64, 2006
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3BGO
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3BI9
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![BU of 3bi9 by Molmil](/molmil-images/mine/3bi9) | Tim-4 | Descriptor: | ACETATE ION, T-cell immunoglobulin and mucin domain-containing protein 4 | Authors: | Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M. | Deposit date: | 2007-11-30 | Release date: | 2008-01-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds. Immunity, 27, 2007
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3BHH
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![BU of 3bhh by Molmil](/molmil-images/mine/3bhh) | Crystal structure of human calcium/calmodulin-dependent protein kinase IIB isoform 1 (CAMK2B) | Descriptor: | Calcium/calmodulin-dependent protein kinase type II beta chain, [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile | Authors: | Filippakopoulos, P, Rellos, P, Niesen, F, Burgess, N, Bullock, A, Berridge, G, Pike, A.C.W, Ugochukwu, E, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-11-28 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Human Calcium/Calmodulin-Dependent Protein Kinase IIB Isoform 1 (CAMK2B). To be Published
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3BK2
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![BU of 3bk2 by Molmil](/molmil-images/mine/3bk2) | Crystal Structure Analysis of the RNase J/UMP complex | Descriptor: | GLYCEROL, Metal dependent hydrolase, SULFATE ION, ... | Authors: | de la Sierra-Gallay, I.L, Zig, L, Putzer, H. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into the dual activity of RNase J Nat.Struct.Mol.Biol., 15, 2008
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3BLS
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![BU of 3bls by Molmil](/molmil-images/mine/3bls) | AMPC BETA-LACTAMASE FROM ESCHERICHIA COLI | Descriptor: | AMPC BETA-LACTAMASE, M-AMINOPHENYLBORONIC ACID | Authors: | Usher, K.C, Shoichet, B.K, Remington, S.J. | Deposit date: | 1998-06-04 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three-dimensional structure of AmpC beta-lactamase from Escherichia coli bound to a transition-state analogue: possible implications for the oxyanion hypothesis and for inhibitor design. Biochemistry, 37, 1998
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3ANA
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3AO1
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![BU of 3ao1 by Molmil](/molmil-images/mine/3ao1) | Fragment-based approach to the design of ligands targeting a novel site in HIV-1 integrase | Descriptor: | 1,3-benzodioxol-5-ol, CADMIUM ION, POL polyprotein, ... | Authors: | Wielens, J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | Deposit date: | 2010-09-17 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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3AHP
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![BU of 3ahp by Molmil](/molmil-images/mine/3ahp) | Crystal structure of stable protein, CutA1, from a psychrotrophic bacterium Shewanella sp. SIB1 | Descriptor: | CutA1 | Authors: | Tanaka, S, Angkawidjaja, C, Koga, Y, Takano, K, Kanaya, S. | Deposit date: | 2010-04-26 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of stable protein CutA1 from psychrotrophic bacterium Shewanella sp. SIB1 J.SYNCHROTRON RADIAT., 18, 2011
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3AO5
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![BU of 3ao5 by Molmil](/molmil-images/mine/3ao5) | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | Descriptor: | 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine, CADMIUM ION, CHLORIDE ION, ... | Authors: | Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | Deposit date: | 2010-09-21 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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3BCB
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3BHP
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![BU of 3bhp by Molmil](/molmil-images/mine/3bhp) | Crystal structure of UPF0291 protein ynzC from Bacillus subtilis at resolution 2.0 A. Northeast Structural Genomics Consortium target SR384 | Descriptor: | UPF0291 protein ynzC | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Janjua, H, Cunningham, K, Maglaqui, M, Owens, L.A, Zhao, L, Xiao, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-11-28 | Release date: | 2007-12-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of the UPF0291 protein ynzC from Bacillus subtilis at the resolution 2.0 A. To be Published
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