2QG2
 
 | | HSP90 complexed with A917985 | | Descriptor: | 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE, Heat shock protein HSP 90-alpha | | Authors: | Park, C.H. | | Deposit date: | 2007-06-28 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
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2QHX
 | | Structure of Pteridine Reductase from Leishmania major complexed with a ligand | | Descriptor: | IODIDE ION, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Gibellini, F, Mcluskey, K, Tulloch, L, Hunter, W.N. | | Deposit date: | 2007-07-03 | | Release date: | 2007-12-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development.
Proc.Natl.Acad.Sci.USA, 105, 2008
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2OLY
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2OM9
 | | Ajulemic acid, a synthetic cannabinoid bound to PPAR gamma | | Descriptor: | (6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-TETRAHYDRO-6H-BENZO[C]CHROMENE-9-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma | | Authors: | Ambrosio, A.L.B, Garratt, R.C. | | Deposit date: | 2007-01-21 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ajulemic Acid, a Synthetic Nonpsychoactive Cannabinoid Acid, Bound to the Ligand Binding Domain of the Human Peroxisome Proliferator-activated Receptor gamma
J.Biol.Chem., 282, 2007
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2OVB
 | | Crystal Structure of StaL-sulfate complex | | Descriptor: | SULFATE ION, StaL | | Authors: | Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2007-02-13 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal structure of StaL, a glycopeptide antibiotic sulfotransferase from Streptomyces toyocaensis.
J.Biol.Chem., 282, 2007
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2OOZ
 | | Macrophage Migration Inhibitory Factor (MIF) Complexed with OXIM6 (an OXIM Derivative Not Containing a Ring in its R-group) | | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | | Deposit date: | 2007-01-26 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
J.Biol.Chem., 282, 2007
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2OM1
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2OO0
 | | A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane | | Descriptor: | 3-AMINOOXY-1-AMINOPROPANE, ACETATE ION, Ornithine decarboxylase, ... | | Authors: | Dufe, V.T, Ingner, D, Khomutov, A.R, Heby, O, Persson, L, Al-Karadaghi, S. | | Deposit date: | 2007-01-25 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 1-amino-oxy-3-aminopropane.
Biochem.J., 405, 2007
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2QPY
 | | AR LBD with small molecule | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ... | | Authors: | Estebanez-Perpina, E, Fletterick, R. | | Deposit date: | 2007-07-25 | | Release date: | 2007-09-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2QYL
 | | Crystal structure of PDE4B2B in complex with inhibitor NPV | | Descriptor: | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, MAGNESIUM ION, Phosphodiesterase 4B, ... | | Authors: | Ke, H. | | Deposit date: | 2007-08-15 | | Release date: | 2008-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors.
Biochem.J., 408, 2007
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2QG0
 | | HSP90 complexed with A943037 | | Descriptor: | Heat shock protein HSP 90-alpha, N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | | Authors: | Park, C.H. | | Deposit date: | 2007-06-28 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
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2QLL
 | | Human liver glycogen phosphorylase- GL complex | | Descriptor: | Glycogen phosphorylase, liver form, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Pautsch, A, Streicher, R, Wissdorf, O, Stadler, N. | | Deposit date: | 2007-07-13 | | Release date: | 2008-02-19 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Molecular recognition of the protein phosphatase 1 glycogen targeting subunit by glycogen phosphorylase.
J.Biol.Chem., 283, 2008
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2NO7
 | | C4S dCK variant of dCK in complex with L-dC+ADP | | Descriptor: | 4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase | | Authors: | Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A. | | Deposit date: | 2006-10-25 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
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2NAW
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2NO0
 | | C4S dCK variant of dCK in complex with gemcitabine+ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, GEMCITABINE | | Authors: | Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A. | | Deposit date: | 2006-10-24 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
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2NQ7
 | | Crystal structure of type 1 human methionine aminopeptidase in complex with 3-(2,2-Dimethylpropionylamino)pyridine-2-carboxylic acid thiazole-2-ylamide | | Descriptor: | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE, COBALT (II) ION, GLYCEROL, ... | | Authors: | Addlagatta, A, Matthews, B.W. | | Deposit date: | 2006-10-30 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Elucidation of the function of type 1 human methionine aminopeptidase during cell cycle progression.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2NQD
 | | Crystal structure of cysteine protease inhibitor, chagasin, in complex with human cathepsin L | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin L, ... | | Authors: | Redzynia, I, Bujacz, G, Ljunggren, A, Jaskolski, M, Abrahamson, M. | | Deposit date: | 2006-10-31 | | Release date: | 2007-07-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of the parasite protease inhibitor chagasin in complex with a host target cysteine protease
J.Mol.Biol., 371, 2007
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2NQ6
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2NO1
 | | C4S dCK variant of dCK in complex with D-dC+ADP | | Descriptor: | 2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase | | Authors: | Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A. | | Deposit date: | 2006-10-24 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
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2MTA
 | | CRYSTAL STRUCTURE OF A TERNARY ELECTRON TRANSFER COMPLEX BETWEEN METHYLAMINE DEHYDROGENASE, AMICYANIN AND A C-TYPE CYTOCHROME | | Descriptor: | AMICYANIN, COPPER (II) ION, CYTOCHROME C551I, ... | | Authors: | Chen, L, Mathews, F.S. | | Deposit date: | 1993-10-26 | | Release date: | 1994-01-31 | | Last modified: | 2021-03-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of an electron transfer complex: methylamine dehydrogenase, amicyanin, and cytochrome c551i.
Science, 264, 1994
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2MPE
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2ND7
 | | Structure of DK17 in POPC:POPG:Cholesterol:GM1 LUVS | | Descriptor: | Cell penetrating peptide | | Authors: | Bera, S, Bhunia, A. | | Deposit date: | 2016-05-11 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Elucidation of the Cell-Penetrating Penetratin Peptide in Model Membranes at the Atomic Level: Probing Hydrophobic Interactions in the Blood-Brain Barrier
Biochemistry, 55, 2016
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2QYM
 | | crystal structure of unliganded PDE4C2 | | Descriptor: | MAGNESIUM ION, Phosphodiesterase 4C, ZINC ION | | Authors: | Ke, H. | | Deposit date: | 2007-08-15 | | Release date: | 2008-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors.
Biochem.J., 408, 2007
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2QU6
 | | Crystal structure of the VEGFR2 kinase domain in complex with a benzoxazole inhibitor | | Descriptor: | 4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide, SULFATE ION, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2007-08-03 | | Release date: | 2007-09-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors.
J.Med.Chem., 50, 2007
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2N7F
 | | NMR solution structure of muO-conotoxin MfVIA | | Descriptor: | muO-conotoxin MfVIA | | Authors: | Schroeder, C.I, Mobli, M. | | Deposit date: | 2015-09-09 | | Release date: | 2016-04-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Development of a mu O-Conotoxin Analogue with Improved Lipid Membrane Interactions and Potency for the Analgesic Sodium Channel NaV1.8.
J.Biol.Chem., 291, 2016
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