6ADH
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3SY8
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![BU of 3sy8 by Molmil](/molmil-images/mine/3sy8) | Crystal structure of the response regulator RocR | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, RocR | Authors: | Chen, M.W, Kotaka, M, Vonrhein, C, Bricogne, G, Lescar, J. | Deposit date: | 2011-07-16 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into the regulatory mechanism of the response regulator RocR from Pseudomonas aeruginosa in cyclic Di-GMP signaling. J.Bacteriol., 194, 2012
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2HPA
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![BU of 2hpa by Molmil](/molmil-images/mine/2hpa) | STRUCTURAL ORIGINS OF L(+)-TARTRATE INHIBITION OF HUMAN PROSTATIC ACID PHOSPHATASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-PROPYL-TARTRAMIC ACID, ... | Authors: | Lacount, M.W, Handy, G, Lebioda, L. | Deposit date: | 1998-09-11 | Release date: | 1998-09-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural origins of L(+)-tartrate inhibition of human prostatic acid phosphatase. J.Biol.Chem., 273, 1998
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2XU8
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![BU of 2xu8 by Molmil](/molmil-images/mine/2xu8) | Structure of Pa1645 | Descriptor: | PA1645, SULFATE ION | Authors: | Abdelli, W.B, Moynie, L, McMahon, S.A, Liu, H, Alphey, M.S, Naismith, J.H. | Deposit date: | 2010-10-15 | Release date: | 2010-12-29 | Last modified: | 2015-08-19 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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6BU7
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![BU of 6bu7 by Molmil](/molmil-images/mine/6bu7) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD130 1-[2-(Piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | Descriptor: | 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | Deposit date: | 2017-12-08 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma. ChemMedChem, 13, 2018
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6BTL
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![BU of 6btl by Molmil](/molmil-images/mine/6btl) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD117 1-[2-(Piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | Descriptor: | 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | Deposit date: | 2017-12-06 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma. ChemMedChem, 13, 2018
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5ADH
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8RUC
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![BU of 8ruc by Molmil](/molmil-images/mine/8ruc) | ACTIVATED SPINACH RUBISCO COMPLEXED WITH 2-CARBOXYARABINITOL BISPHOSPHATE | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE | Authors: | Andersson, I, Knight, S, Branden, C.-I. | Deposit date: | 1996-02-22 | Release date: | 1996-08-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Large structures at high resolution: the 1.6 A crystal structure of spinach ribulose-1,5-bisphosphate carboxylase/oxygenase complexed with 2-carboxyarabinitol bisphosphate. J.Mol.Biol., 259, 1996
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2JTT
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1ADB
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![BU of 1adb by Molmil](/molmil-images/mine/1adb) | CRYSTALLOGRAPHIC STUDIES OF ISOSTERIC NAD ANALOGUES BOUND TO ALCOHOL DEHYDROGENASE: SPECIFICITY AND SUBSTRATE BINDING IN TWO TERNARY COMPLEXES | Descriptor: | 5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDE, ALCOHOL DEHYDROGENASE, ETHANOL, ... | Authors: | Li, H, Hallows, W.A, Punzi, J.S, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M. | Deposit date: | 1993-12-13 | Release date: | 1995-06-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic studies of isosteric NAD analogues bound to alcohol dehydrogenase: specificity and substrate binding in two ternary complexes. Biochemistry, 33, 1994
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1ADC
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![BU of 1adc by Molmil](/molmil-images/mine/1adc) | CRYSTALLOGRAPHIC STUDIES OF ISOSTERIC NAD ANALOGUES BOUND TO ALCOHOL DEHYDROGENASE: SPECIFICITY AND SUBSTRATE BINDING IN TWO TERNARY COMPLEXES | Descriptor: | 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE, ALCOHOL DEHYDROGENASE, ETHANOL, ... | Authors: | Li, H, Hallows, W.A, Punzi, J.S, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M. | Deposit date: | 1993-12-13 | Release date: | 1995-06-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystallographic studies of isosteric NAD analogues bound to alcohol dehydrogenase: specificity and substrate binding in two ternary complexes. Biochemistry, 33, 1994
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4NEV
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![BU of 4nev by Molmil](/molmil-images/mine/4nev) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | Deposit date: | 2013-10-30 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase. Chemmedchem, 9, 2014
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4NEW
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![BU of 4new by Molmil](/molmil-images/mine/4new) | Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | Descriptor: | 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ... | Authors: | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | Deposit date: | 2013-10-30 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase. Chemmedchem, 9, 2014
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4AVR
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![BU of 4avr by Molmil](/molmil-images/mine/4avr) | Crystal structure of the hypothetical protein Pa4485 from Pseudomonas aeruginosa | Descriptor: | PA4485 | Authors: | McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Alphey, M.S, Naismith, J.H. | Deposit date: | 2012-05-29 | Release date: | 2013-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery. Acta Crystallogr.,Sect.F, 69, 2013
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4AVF
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![BU of 4avf by Molmil](/molmil-images/mine/4avf) | Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE | Authors: | McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Naismith, J.H. | Deposit date: | 2012-05-25 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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2OHX
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1AXE
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![BU of 1axe by Molmil](/molmil-images/mine/1axe) | CRYSTAL STRUCTURE OF THE ACTIVE-SITE MUTANT PHE93->TRP OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH NAD AND INHIBITOR TRIFLUOROETHANOL | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | Authors: | Colby, T.D, Chin, J.K, Goldstein, B.M. | Deposit date: | 1997-10-15 | Release date: | 1998-04-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A link between protein structure and enzyme catalyzed hydrogen tunneling. Proc.Natl.Acad.Sci.USA, 94, 1997
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1AXG
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![BU of 1axg by Molmil](/molmil-images/mine/1axg) | CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | Authors: | Colby, T.D, Chin, J.K, Bahnson, B.J, Goldstein, B.M, Klinman, J.P. | Deposit date: | 1997-10-15 | Release date: | 1998-04-15 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A link between protein structure and enzyme catalyzed hydrogen tunneling. Proc.Natl.Acad.Sci.USA, 94, 1997
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7ADH
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1HET
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![BU of 1het by Molmil](/molmil-images/mine/1het) | atomic X-ray structure of liver alcohol dehydrogenase containing a hydroxide adduct to NADH | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ALCOHOL DEHYDROGENASE E CHAIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Meijers, R, Morris, R.J, Adolph, H.W, Merli, A, Lamzin, V.S, Cedergen-Zeppezauer, E.S. | Deposit date: | 2000-11-25 | Release date: | 2001-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | On the Enzymatic Activation of Nadh J.Biol.Chem., 276, 2001
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1ZDL
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![BU of 1zdl by Molmil](/molmil-images/mine/1zdl) | Crystal Structure of Mouse Thioredoxin Reductase Type 2 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 2, ... | Authors: | Biterova, E.I, Turanov, A.A, Gladyshev, V.N, Barycki, J.J. | Deposit date: | 2005-04-14 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of oxidized and reduced mitochondrial thioredoxin reductase provide molecular details of the reaction mechanism. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1ZKQ
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![BU of 1zkq by Molmil](/molmil-images/mine/1zkq) | Crystal structure of mouse thioredoxin reductase type 2 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase 2, mitochondrial | Authors: | Biterova, E.I, Turanov, A.A, Gladyshev, V.N, Barycki, J.J. | Deposit date: | 2005-05-03 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of oxidized and reduced mitochondrial thioredoxin reductase provide molecular details of the reaction mechanism. Proc.Natl.Acad.Sci.Usa, 102, 2005
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5EBI
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![BU of 5ebi by Molmil](/molmil-images/mine/5ebi) | Crystal structure of a DNA-RNA chimera in complex with Ba2+ ions: a case of unusual multi-domain twinning | Descriptor: | BARIUM ION, DNA/RNA (5'-D(*C)-R(P*G)-D(P*C)-R(P*G)-D(P*C)-R(P*G)-3') | Authors: | Gilski, M, Drozdzal, P, Kierzek, R, Jaskolski, M. | Deposit date: | 2015-10-19 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Atomic resolution structure of a chimeric DNA-RNA Z-type duplex in complex with Ba(2+) ions: a case of complicated multi-domain twinning. Acta Crystallogr D Struct Biol, 72, 2016
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2VBI
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1DBS
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