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1EF3
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FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE
Descriptor:ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
Authors:Oka, M., Matsumoto, Y., Sugiyama, S., Tsuruta, N., Matsushima, M.
Deposit date:2000-02-06
Release date:2001-02-07
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A potent aldose reductase inhibitor, (2S,4S)-6-fluoro-2', 5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxamide (Fidarestat): its absolute configuration and interactions with the aldose reductase by X-ray crystallography.
J.Med.Chem., 43, 2000
1PWL
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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH NADP AND MINALRESTAT
Descriptor:aldose reductase, 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:El-Kabbani, O., Darmanin, C., Schneider, T.R., Hazemann, I., Ruiz, F., Oka, M., Joachimiak, A., Schulze-Briese, C., Tomizaki, T., Mitschler, A., Podjarny, A.
Deposit date:2003-07-02
Release date:2004-02-24
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
PROTEINS, 55, 2004
1PWM
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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH NADP AND FIDARESTAT
Descriptor:aldose reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:El-Kabbani, O., Darmanin, C., Schneider, T.R., Hazemann, I., Ruiz, F., Oka, M., Joachimiak, A., Schulze-Briese, C., Tomizaki, T., Mitschler, A., Podjarny, A.
Deposit date:2003-07-02
Release date:2004-02-24
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
PROTEINS, 55, 2004
1X96
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CRYSTAL STRUCTURE OF ALDOSE REDUCTASE WITH CITRATES BOUND IN THE ACTIVE SITE
Descriptor:aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, CITRIC ACID
Authors:El-Kabbani, O., Darmanin, C., Oka, M., Schulze-Briese, C., Tomizaki, T., Hazemann, I., Mitschler, A., Podjarny, A.
Deposit date:2004-08-19
Release date:2004-09-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat: Stereospecific Interaction between the Enzyme and a Cyclic Imide Type Inhibitor
J.Med.Chem., 47, 2004
1X97
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CRYSTAL STRUCTURE OF ALDOSE REDUCTASE COMPLEXED WITH 2R4S (STEREOISOMER OF FIDARESTAT, 2S4S)
Descriptor:Aldose Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
Authors:El-Kabbani, O., Darmanin, C., Oka, M., Schulze-Briese, C., Tomizaki, T., Hazemann, I., Mitschler, A., Podjarny, A.
Deposit date:2004-08-19
Release date:2004-09-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat: Stereospecific Interaction between the Enzyme and a Cyclic Imide Type Inhibitor
J.Med.Chem., 47, 2004
1X98
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CRYSTAL STRUCTURE OF ALDOSE REDUCTASE COMPLEXED WITH 2S4R (STEREOISOMER OF FIDARESTAT, 2S4S)
Descriptor:Aldose Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, CITRIC ACID, ...
Authors:El-Kabbani, O., Darmanin, C., Oka, M., Schulze-Briese, C., Tomizaki, T., Hazemann, I., Mitschler, A., Podjarny, A.
Deposit date:2004-08-19
Release date:2004-09-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat: Stereospecific Interaction between the Enzyme and a Cyclic Imide Type Inhibitor
J.Med.Chem., 47, 2004
2AGT
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ALDOSE REDUCTASE MUTANT LEU 300 PRO COMPLEXED WITH FIDARESTAT
Descriptor:Aldose reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Petrova, T., Steuber, H., Hazemann, I., Cousido-Siah, A., Mitschler, A., Chung, R., Oka, M., Klebe, G., El-Kabbani, O., Joachimiak, A., Podjarny, A.
Deposit date:2005-07-27
Release date:2005-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:Factorizing Selectivity Determinants of Inhibitor Binding toward Aldose and Aldehyde Reductases: Structural and Thermodynamic Properties of the Aldose Reductase Mutant Leu300Pro-Fidarestat Complex
J.Med.Chem., 48, 2005
3WQH
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CRYSTAL STRUCTURE OF HUMAN DPP-IV IN COMPLEX WITH ANAGLIPTIN
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Authors:Watanabe, Y.S., Okada, S., Motoyama, T., Takahashi, R., Adachi, H., Oka, M.
Deposit date:2014-01-27
Release date:2015-07-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Anagliptin, a potent dipeptidyl peptidase IV inhibitor: its single-crystal structure and enzyme interactions.
J Enzyme Inhib Med Chem, 2015
1ERA
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TERTIARY STRUCTURE OF ERABUTOXIN B IN AQUEOUS SOLUTION ELUCIDATED BY TWO-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE
Descriptor:ERABUTOXIN B
Authors:Hatanaka, H., Kohda, D., Inagaki, F.
Deposit date:1994-03-28
Release date:1994-06-22
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Tertiary structure of erabutoxin b in aqueous solution as elucidated by two-dimensional nuclear magnetic resonance.
J.Mol.Biol., 240, 1994
1FRA
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TERTIARY STRUCTURE OF ERABUTOXIN B IN AQUEOUS SOLUTION ELUCIDATED BY TWO-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE
Descriptor:ERABUTOXIN B
Authors:Hatanaka, H., Kohda, D., Inagaki, F.
Deposit date:1994-03-28
Release date:1994-06-22
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Tertiary structure of erabutoxin b in aqueous solution as elucidated by two-dimensional nuclear magnetic resonance.
J.Mol.Biol., 240, 1994
3H4G
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STRUCTURE OF ALDEHYDE REDUCTASE HOLOENZYME IN COMPLEX WITH POTENT ALDOSE REDUCTASE INHIBITOR FIDARESTAT: IMPLICATIONS FOR INHIBITOR BINDING AND SELECTIVITY
Descriptor:Alcohol dehydrogenase [NADP+], SULFATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Carbone, V., El-Kabbani, O.
Deposit date:2009-04-20
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of aldehyde reductase holoenzyme in complex with the potent aldose reductase inhibitor fidarestat: implications for inhibitor binding and selectivity
J.Med.Chem., 48, 2005