Author results

1EKO
  • Download 1eko
  • View 1eko
Molmil generated image of 1eko
PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR
Descriptor:ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE
Authors:Podjarny, A.
Deposit date:2000-03-09
Release date:2000-05-10
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of human aldose reductase bound to the inhibitor IDD384.
Acta Crystallogr.,Sect.D, 56, 2000
5NR8
  • Download 5nr8
  • View 5nr8
Molmil generated image of 5nr8
CRYSTAL STRUCTURE OF HUMAN CHITOTRIOSIDASE-1 (HCHIT) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 7A
Descriptor:Chitotriosidase-1, 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine, GLYCEROL
Authors:Podjarny, A., Fadel, F., Golebiowski, A.
Deposit date:2017-04-22
Release date:2018-02-21
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
1EL3
  • Download 1el3
  • View 1el3
Molmil generated image of 1el3
HUMAN ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR
Descriptor:ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE
Authors:Podjarny, A.
Deposit date:2000-03-13
Release date:2000-05-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of human aldose reductase bound to the inhibitor IDD384.
Acta Crystallogr.,Sect.D, 56, 2000
1AH4
  • Download 1ah4
  • View 1ah4
Molmil generated image of 1ah4
PIG ALDOSE REDUCTASE, HOLO FORM
Descriptor:ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Moras, D., Podjarny, A.
Deposit date:1997-04-12
Release date:1998-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A 'specificity' pocket inferred from the crystal structures of the complexes of aldose reductase with the pharmaceutically important inhibitors tolrestat and sorbinil.
Structure, 5, 1997
5NRF
  • Download 5nrf
  • View 5nrf
Molmil generated image of 5nrf
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
1DLA
  • Download 1dla
  • View 1dla
Molmil generated image of 1dla
NOVEL NADPH-BINDING DOMAIN REVEALED BY THE CRYSTAL STRUCTURE OF ALDOSE REDUCTASE
Descriptor:ALDOSE REDUCTASE
Authors:Rondeau, J.-M., Tete-Favier, F., Podjarny, A., Reymann, J.-M., Barth, P., Biellmann, J.-F., Moras, D.
Deposit date:1993-02-08
Release date:1994-04-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Novel NADPH-binding domain revealed by the crystal structure of aldose reductase.
Nature, 355, 1992
1RNA
  • Download 1rna
  • View 1rna
Molmil generated image of 1rna
CRYSTALLOGRAPHIC STRUCTURE OF AN RNA HELIX: [U(U-A)6A]2
Descriptor:RNA (5'-R(*UP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*A)-3')
Authors:Dock-Bregeon, A.C., Chevrier, B., Podjarny, A., Johnson, J., De Bear, J.S., Gough, G.R., Gilham, P.T., Moras, D.
Deposit date:1990-02-01
Release date:1991-04-15
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystallographic structure of an RNA helix: [U(UA)6A]2.
J.Mol.Biol., 209, 1989
4IE1
  • Download 4ie1
  • View 4ie1
Molmil generated image of 4ie1
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
  • Download 4ie2
  • View 4ie2
Molmil generated image of 4ie2
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
  • Download 4ie3
  • View 4ie3
Molmil generated image of 4ie3
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
  • Download 5nra
  • View 5nra
Molmil generated image of 5nra
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
Last modified:2019-10-16
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
  • Download 6b9o
  • View 6b9o
Molmil generated image of 6b9o
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
  • Download 6b9p
  • View 6b9p
Molmil generated image of 6b9p
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
  • Download 1pwl
  • View 1pwl
Molmil generated image of 1pwl
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
  • Download 1pwm
  • View 1pwm
Molmil generated image of 1pwm
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
  • Download 1t40
  • View 1t40
Molmil generated image of 1t40
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
  • Download 1t41
  • View 1t41
Molmil generated image of 1t41
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
  • Download 1us0
  • View 1us0
Molmil generated image of 1us0
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:2019-05-22
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
2AGT
  • Download 2agt
  • View 2agt
Molmil generated image of 2agt
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
2I16
  • Download 2i16
  • View 2i16
Molmil generated image of 2i16
HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP+ AND THE INHIBITOR IDD594 AT TEMPERATURE OF 15K
Descriptor:Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, IDD594, ...
Authors:Petrova, T., Ginell, S., Mitshler, A., Hasemann, I., Schneider, T., Cousido, A., Lunin, V.Y., Joachimiak, A., Podjarny, A.
Deposit date:2006-08-13
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.81 Å)
Cite:Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
2I17
  • Download 2i17
  • View 2i17
Molmil generated image of 2i17
HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP+ AND THE INHIBITOR IDD594 AT TEMPERATURE OF 60K
Descriptor:Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, IDD594, ...
Authors:Petrova, T., Ginell, S., Mitshler, A., Hasemann, I., Schneider, T., Cousido, A., Lunin, V.Y., Joachimiak, A., Podjarny, A.
Deposit date:2006-08-13
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.81 Å)
Cite:Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
2J8T
  • Download 2j8t
  • View 2j8t
Molmil generated image of 2j8t
HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP AND CITRATE AT 0.82 ANGSTROM
Descriptor:ALDO-KETO REDUCTASE FAMILY 1, MEMBER B1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Biadene, M., Hazemann, I., Cousido, A., Ginell, S., Sheldrick, G.M., Podjarny, A., Schneider, T.R.
Deposit date:2006-10-27
Release date:2007-05-29
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (0.82 Å)
Cite:The Atomic Resolution Structure of Human Aldose Reductase Reveals that Rearrangement of a Bound Ligand Allows the Opening of the Safety-Belt Loop.
Acta Crystallogr.,Sect.D, 63, 2007
2PEV
  • Download 2pev
  • View 2pev
Molmil generated image of 2pev
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
  • Download 2pf8
  • View 2pf8
Molmil generated image of 2pf8
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
  • Download 2pfh
  • View 2pfh
Molmil generated image of 2pfh
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