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1EXA
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ENANTIOMER DISCRIMINATION ILLUSTRATED BY CRYSTAL STRUCTURES OF THE HUMAN RETINOIC ACID RECEPTOR HRARGAMMA LIGAND BINDING DOMAIN: THE COMPLEX WITH THE ACTIVE R-ENANTIOMER BMS270394.
Descriptor:RETINOIC ACID RECEPTOR GAMMA-2, R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, DODECYL-ALPHA-D-MALTOSIDE
Authors:Klaholz, B.P., Mitschler, A., Belema, M., Zusi, C., Moras, D., Structural Proteomics in Europe (SPINE)
Deposit date:2000-05-02
Release date:2000-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Enantiomer discrimination illustrated by high-resolution crystal structures of the human nuclear receptor hRARgamma.
Proc.Natl.Acad.Sci.USA, 97, 2000
1EXX
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ENANTIOMER DISCRIMINATION ILLUSTRATED BY CRYSTAL STRUCTURES OF THE HUMAN RETINOIC ACID RECEPTOR HRARGAMMA LIGAND BINDING DOMAIN: THE COMPLEX WITH THE INACTIVE S-ENANTIOMER BMS270395.
Descriptor:RETINOIC ACID RECEPTOR GAMMA-2, 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, DODECYL-ALPHA-D-MALTOSIDE
Authors:Klaholz, B.P., Mitschler, A., Belema, M., Zusi, C., Moras, D., Structural Proteomics in Europe (SPINE)
Deposit date:2000-05-05
Release date:2000-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Enantiomer discrimination illustrated by high-resolution crystal structures of the human nuclear receptor hRARgamma.
Proc.Natl.Acad.Sci.USA, 97, 2000
1FCX
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ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID BMS184394
Descriptor:RETINOIC ACID RECEPTOR GAMMA-1, 6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE
Authors:Klaholz, B.P., Mitschler, A., Moras, D., Structural Proteomics in Europe (SPINE)
Deposit date:2000-07-19
Release date:2000-09-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
1FCY
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ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARBETA/GAMMA-SELECTIVE RETINOID CD564
Descriptor:RETINOIC ACID RECEPTOR GAMMA-1, 6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE
Authors:Klaholz, B.P., Mitschler, A., Moras, D., Structural Proteomics in Europe (SPINE)
Deposit date:2000-07-19
Release date:2000-09-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
1FCZ
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ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE PANAGONIST RETINOID BMS181156
Descriptor:RETINOIC ACID RECEPTOR GAMMA-1, 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID, DODECYL-ALPHA-D-MALTOSIDE
Authors:Klaholz, B.P., Mitschler, A., Moras, D., Structural Proteomics in Europe (SPINE)
Deposit date:2000-07-19
Release date:2000-09-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
5NRF
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CRYSTAL STRUCTURE OF HUMAN CHITOTRIOSIDASE-1 (HCHIT) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 7I
Descriptor:Chitotriosidase-1, 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine, GLYCEROL
Authors:Mazur, M., Olczak, J., Olejniczak, S., Koralewski, R., Czestkowski, W., Jedrzejczak, A., Golab, J., Dzwonek, K., Dymek, B., Sklepkiewicz, P., Zagozdzon, A., Noonan, T., Mahboubi, K., Conway, B., Sheeler, R., Beckett, P., Hungerford, W.M., Podjarny, A., Mitschler, A., Cousido-Siah, A., Fadel, F., Golebiowski, A.
Deposit date:2017-04-22
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
1MZN
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CRYSTAL STRUCTURE AT 1.9 ANGSTROEMS RESOLUTION OF THE HOMODIMER OF HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO THE SYNTHETIC AGONIST COMPOUND BMS 649 AND A COACTIVATOR PEPTIDE
Descriptor:RXR retinoid X receptor, Nuclear receptor coactivator 2, 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID
Authors:Egea, P.F., Mitschler, A., Moras, D.
Deposit date:2002-10-09
Release date:2002-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Recognition of Agonist Ligands by RXRs
MOL.ENDOCRINOL., 16, 2002
2PEV
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COMPLEX OF ALDOSE REDUCTASE WITH NADP+ AND SIMALTANEOUSLY BOUND COMPETETIVE INHIBITORS FIDARESTAT AND IDD594. CONCENTRATION OF FIDARESTAT IN SOAKING SOLUTION EXCEEDS CONCENTRATION OF IDD594.
Descriptor:Aldose reductase, CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Petrova, T., Hazemann, I., Cousido, A., Mitschler, A., Ginell, S., Joachimiak, A., Podjarny, A.
Deposit date:2007-04-03
Release date:2007-04-17
Last modified:2012-10-17
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
2PF8
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COMPLEX OF ALDOSE REDUCTASE WITH NADP+ AND SIMALTANEOUSLY BOUND COMPETETIVE INHIBITORS FIDARESTAT AND IDD594. CONCENTRATION OF FIDARESTAT IN SOAKING SOLUTION IS EQUAL TO CONCENTRATION OF IDD594.
Descriptor:Aldose reductase, CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Petrova, T., Hazemann, I., Cousido, A., Mitschler, A., Ginell, S., Joachimiak, A., Podjarny, A.
Deposit date:2007-04-04
Release date:2007-04-17
Last modified:2012-10-17
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
2PFH
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COMPLEX OF ALDOSE REDUCTASE WITH NADP+ AND SIMALTANEOUSLY BOUND COMPETETIVE INHIBITORS FIDARESTAT AND IDD594. CONCENTRATION OF FIDARESTAT IN SOAKING SOLUTION IS LESS THAN CONCENTRATION OF IDD594.
Descriptor:Aldose reductase, CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Petrova, T., Hazemann, I., Cousido, A., Mitschler, A., Ginell, S., Joachimiak, A., Podjarny, A.
Deposit date:2007-04-05
Release date:2007-04-17
Last modified:2012-10-17
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
3PP6
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REP1-NXSQ FATTY ACID TRANSPORTER Y128F MUTANT
Descriptor:ReP1-NCXSQ, PALMITOLEIC ACID
Authors:Berberian, G., Bollo, M., Howard, E., Cousido-Siah, A., Mitschler, A., Ayoub, D., Sanglier-Cianferani, S., Van Dorsselaer, A., DiPolo, R., Beauge, L., Petrova, T., Schulze-Briese, C., Wang, M., Podjarny, A.
Deposit date:2010-11-24
Release date:2011-12-28
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional studies of ReP1-NCXSQ, a protein regulating the squid nerve Na+/Ca2+ exchanger.
Acta Crystallogr.,Sect.D, 68, 2012
3PPT
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REP1-NXSQ FATTY ACID TRANSPORTER
Descriptor:ReP1-NCXSQ, PALMITOLEIC ACID
Authors:Berberian, G., Bollo, M., Howard, E., Cousido-Siah, A., Mitschler, A., Ayoub, D., Sanglier-Cianferani, S., Van Dorsselaer, A., DiPolo, R., Beauge, L., Petrova, T., Schulze-Briese, C., Wang, M., Podjarny, A.
Deposit date:2010-11-25
Release date:2011-12-21
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structural and functional studies of ReP1-NCXSQ, a protein regulating the squid nerve Na+/Ca2+ exchanger.
Acta Crystallogr.,Sect.D, 68, 2012
4IE1
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-1 COMPLEXED WITH INHIBITOR 1H
Descriptor:Arginase-1, [(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-), MANGANESE (II) ION
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Beckett, P., Van Zandt, M.C., Ji, M.K., Whitehouse, D., Ryder, T., Jagdmann, E., Andreoli, M., Mazur, A., Padmanilayam, M., Schroeter, H., Golebiowski, A., Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.0006 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4IE2
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-2 COMPLEXED WITH INHIBITOR 1H
Descriptor:Arginase-2, mitochondrial, MANGANESE (II) ION, ...
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Beckett, P., Van Zandt, M.C., Ji, M.K., Whitehouse, D., Ryder, T., Jagdmann, E., Andreoli, M., Mazur, A., Padmanilayam, M., Schroeter, H., Golebiowski, A., Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2082 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4IE3
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-2 COMPLEXED WITH INHBITOR 1O
Descriptor:Arginase-2, mitochondrial, MANGANESE (II) ION, ...
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Beckett, P., Van Zandt, M.C., Ji, M.K., Whitehouse, D., Ryder, T., Jagdmann, E., Andreoli, M., Mazur, A., Padmanilayam, M., Schroeter, H., Golebiowski, A., Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3522 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
5NRA
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CRYSTAL STRUCTURE OF HUMAN CHITOTRIOSIDASE-1 (HCHIT) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 7G
Descriptor:Chitotriosidase-1, 1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine, GLYCEROL
Authors:Mazur, M., Olczak, J., Olejniczak, S., Koralewski, R., Czestkowski, W., Jedrzejczak, A., Golab, J., Dzwonek, K., Dymek, B., Sklepkiewicz, P., Zagozdzon, A., Noonan, T., Mahboubi, K., Conway, B., Sheeler, R., Beckett, P., Hungerford, W.M., Podjarny, A., Mitschler, A., Cousido-Siah, A., Fadel, F., Golebiowski, A.
Deposit date:2017-04-22
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.267 Å)
Cite:Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
6B9O
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STRUCTURE OF GH 38 JACK BEAN ALPHA-MANNOSIDASE
Descriptor:Alpha-mannosidase from Canavalia ensiformis (jack bean), ZINC ION, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Howard, E., Cousido-Siah, A., Lepage, M., Bodlenner, A., Mitschler, A., Meli, A., De Riccardis, F., Izzo, I., Podjarny, A., Compain, P.
Deposit date:2017-10-11
Release date:2018-09-26
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition.
Angew. Chem. Int. Ed. Engl., 57, 2018
6B9P
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STRUCTURE OF GH 38 JACK BEAN ALPHA-MANNOSIDASE IN COMPLEX WITH A 36-VALENT IMINOSUGAR CLUSTER INHIBITOR
Descriptor:Alpha-mannosidase from Canavalia ensiformis (jack bean), (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol, ZINC ION, ...
Authors:Howard, E., Cousido-Siah, A., Lepage, M., Bodlenner, A., Mitschler, A., Meli, A., De Riccardis, F., Izzo, I., Podjarny, A., Compain, P.
Deposit date:2017-10-11
Release date:2018-09-26
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition.
Angew. Chem. Int. Ed. Engl., 57, 2018
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
1T40
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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH NADP AND IDD552 AT PH 5
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
Authors:Ruiz, F., Hazemann, I., Mitschler, A., Chevrier, B., Schneider, T., Joachimiak, A., Karplus, M., Podjarny, A.
Deposit date:2004-04-28
Release date:2004-08-03
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Acta Crystallogr.,Sect.D, 60, 2004
1T41
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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH NADP AND IDD552
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
Authors:Ruiz, F., Hazemann, I., Mitschler, A., Chevrier, B., Schneider, T., Joachimiak, A., Karplus, M., Podjarny, A.
Deposit date:2004-04-28
Release date:2004-08-03
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Acta Crystallogr.,Sect.D, 60, 2004
1US0
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HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP+ AND THE INHIBITOR IDD594 AT 0.66 ANGSTROM
Descriptor:ALDOSE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, IDD594, ...
Authors:Howard, E.I., Sanishvili, R., Cachau, R.E., Mitschler, A., Chevrier, B., Barth, P., Lamour, V., Van Zandt, M., Sibley, E., Bon, C., Moras, D., Schneider, T.R., Joachimiak, A., Podjarny, A.
Deposit date:2003-11-16
Release date:2004-05-07
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (0.66 Å)
Cite:Ultrahigh Resolution Drug Design I: Details of Interactions in Human Aldose Reductase-Inhibitor Complex at 0.66 A.
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