4GAP
| Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with NAD+ | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rotenone-insensitive NADH-ubiquinone oxidoreductase | Authors: | Iwata, M, Lee, Y, Yamashita, T, Yagi, T, Iwata, S, Cameron, A.D, Maher, M.J. | Deposit date: | 2012-07-25 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The structure of the yeast NADH dehydrogenase (Ndi1) reveals overlapping binding sites for water- and lipid-soluble substrates. Proc.Natl.Acad.Sci.USA, 109, 2012
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4GCA
| Complex of Aldose Reductase with inhibitor IDD 1219 | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid | Authors: | Podjarny, A.D, Van Zandt, M, Geraci, L.S. | Deposit date: | 2012-07-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Complex of Aldose Reductase with inhibitor IDD 1219 TO BE PUBLISHED
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4GGK
| Crystal structure of Zucchini from mouse (mZuc / PLD6 / MitoPLD) bound to tungstate | Descriptor: | Mitochondrial cardiolipin hydrolase, TUNGSTATE(VI)ION, ZINC ION | Authors: | Ipsaro, J.J, Haase, A.D, Hannon, G.J, Joshua-Tor, L. | Deposit date: | 2012-08-06 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structural biochemistry of Zucchini implicates it as a nuclease in piRNA biogenesis. Nature, 491, 2012
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4GQI
| Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide, ... | Authors: | Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S. | Deposit date: | 2012-08-23 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation. Bioorg.Med.Chem.Lett., 22, 2012
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4HF8
| Crystal structure of L-methionine gamma-lyase from Citrobacter freundii with glycine | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCINE, Methionine gamma-lyase, ... | Authors: | Revtovich, S.V, Morozova, E.A, Anufrieva, N.V, Nikulin, A.D, Demidkina, T.V. | Deposit date: | 2012-10-05 | Release date: | 2013-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of the external aldimine of Citrobacter freundii methionine gamma-lyase with glycine provides insight in mechanisms of two stages of physiological reaction and isotope exchange of alpha- and beta-protons of competitive inhibitors. Biochimie, 101, 2014
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4GR9
| Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide, ... | Authors: | Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S. | Deposit date: | 2012-08-24 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.291 Å) | Cite: | Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation. Bioorg.Med.Chem.Lett., 22, 2012
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4HNC
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4HQX
| CRYSTAL STRUCTURE OF HUMAN PDGF-BB IN COMPLEX WITH A Modified nucleotide aptamer (SOMAmer SL4) | Descriptor: | MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ... | Authors: | Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C. | Deposit date: | 2012-10-26 | Release date: | 2012-11-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets. Proc.Natl.Acad.Sci.USA, 109, 2012
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4HQU
| Crystal structure of human PDGF-BB in complex with a modified nucleotide aptamer (SOMAmer SL5) | Descriptor: | MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ... | Authors: | Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C. | Deposit date: | 2012-10-26 | Release date: | 2012-11-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets. Proc.Natl.Acad.Sci.USA, 109, 2012
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2CW0
| Crystal structure of Thermus thermophilus RNA polymerase holoenzyme at 3.3 angstroms resolution | Descriptor: | DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ... | Authors: | Tuske, S, Sarafianos, S.G, Wang, X, Hudson, B, Sineva, E, Mukhopadhyay, J, Birktoft, J.J, Leroy, O, Ismail, S, Clark Jr, A.D, Dharia, C, Napoli, A, Laptenko, O, Lee, J, Borukhov, S, Ebright, R.H, Arnold, E. | Deposit date: | 2005-06-15 | Release date: | 2005-09-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Inhibition of bacterial RNA polymerase by streptolydigin: stabilization of a straight-bridge-helix active-center conformation Cell(Cambridge,Mass.), 122, 2005
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2BU6
| crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | Descriptor: | (N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | Deposit date: | 2005-06-08 | Release date: | 2006-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry, 45, 2006
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1CG2
| CARBOXYPEPTIDASE G2 | Descriptor: | CARBOXYPEPTIDASE G2, ZINC ION | Authors: | Rowsell, S, Pauptit, R.A, Tucker, A.D, Melton, R.G, Blow, D.M, Brick, P. | Deposit date: | 1996-12-20 | Release date: | 1997-12-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of carboxypeptidase G2, a bacterial enzyme with applications in cancer therapy. Structure, 5, 1997
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2BU5
| crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | Descriptor: | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | Deposit date: | 2005-06-08 | Release date: | 2006-02-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry, 45, 2006
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1APL
| CRYSTAL STRUCTURE OF A MAT-ALPHA2 HOMEODOMAIN-OPERATOR COMPLEX SUGGESTS A GENERAL MODEL FOR HOMEODOMAIN-DNA INTERACTIONS | Descriptor: | DNA (5'-D(*AP*CP*AP*TP*GP*TP*AP*AP*TP*TP*CP*AP*TP*TP*TP*AP*C P*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*GP*TP*AP*AP*AP*TP*GP*AP*AP*TP*TP*A P*CP*AP*TP*G)-3'), PROTEIN (MAT-ALPHA2 HOMEODOMAIN) | Authors: | Wolberger, C, Vershon, A.K, Liu, B, Johnson, A.D, Pabo, C.O. | Deposit date: | 1993-10-04 | Release date: | 1993-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a MAT alpha 2 homeodomain-operator complex suggests a general model for homeodomain-DNA interactions. Cell(Cambridge,Mass.), 67, 1991
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2C7W
| Crystal Structure of human vascular endothelial growth factor-B: Identification of amino acids important for angiogeninc activity | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, VASCULAR ENDOTHELIAL GROWTH FACTOR B PRECURSOR | Authors: | Iyer, S, Scotney, P.D, Nash, A.D, Acharya, K.R. | Deposit date: | 2005-11-29 | Release date: | 2007-01-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal Structure of Human Vascular Endothelial Growth Factor-B: Identification of Amino Acids Important for Receptor Binding J.Mol.Biol., 359, 2006
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2C6E
| Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor | Descriptor: | N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M. | Deposit date: | 2005-11-09 | Release date: | 2006-01-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2C6D
| Aurora A kinase activated mutant (T287D) in complex with ADPNP | Descriptor: | GLYCEROL, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M. | Deposit date: | 2005-11-09 | Release date: | 2006-01-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2CJF
| TYPE II DEHYDROQUINASE INHIBITOR COMPLEX | Descriptor: | (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | Authors: | Payne, R.J, Riboldi-Tunnicliffe, A, Abell, A.D, Lapthorn, A.J, Abell, C. | Deposit date: | 2006-03-31 | Release date: | 2007-04-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis, and structural studies on potent biaryl inhibitors of type II dehydroquinases. Chemmedchem, 2, 2007
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2BU7
| crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | Descriptor: | N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | Deposit date: | 2005-06-08 | Release date: | 2006-02-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry, 45, 2006
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2BTZ
| crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | Descriptor: | PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | Deposit date: | 2005-06-08 | Release date: | 2006-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry, 45, 2006
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2BU8
| crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DICHLORO-ACETIC ACID, MAGNESIUM ION, ... | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | Deposit date: | 2005-06-08 | Release date: | 2006-02-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry, 45, 2006
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2BU2
| crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | Descriptor: | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | Deposit date: | 2005-06-08 | Release date: | 2006-02-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry, 45, 2006
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2ALV
| X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors | Descriptor: | N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE, Replicase polyprotein 1ab | Authors: | Ghosh, A.K, Xi, K, Ratia, K, Santarsiero, B.D, Fu, W, Harcourt, B.H, Rota, P.A, Baker, S.C, Johnson, M.E, Mesecar, A.D. | Deposit date: | 2005-08-08 | Release date: | 2006-08-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors. J.Med.Chem., 48, 2005
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1DB6
| SOLUTION STRUCTURE OF THE DNA APTAMER 5'-CGACCAACGTGTCGCCTGGTCG-3' COMPLEXED WITH ARGININAMIDE | Descriptor: | ARGININEAMIDE, DNA | Authors: | Robertson, S.A, Harada, K, Frankel, A.D, Wemmer, D.E. | Deposit date: | 1999-11-02 | Release date: | 2000-02-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure determination and binding kinetics of a DNA aptamer-argininamide complex. Biochemistry, 39, 2000
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1BH5
| HUMAN GLYOXALASE I Q33E, E172Q DOUBLE MUTANT | Descriptor: | LACTOYLGLUTATHIONE LYASE, S-HEXYLGLUTATHIONE, ZINC ION | Authors: | Cameron, A.D, Jones, T.A. | Deposit date: | 1998-06-13 | Release date: | 1998-11-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Involvement of an active-site Zn2+ ligand in the catalytic mechanism of human glyoxalase I. J.Biol.Chem., 273, 1998
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