Author results

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:2019-07-24
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:2019-07-24
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:2019-07-24
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:2019-07-24
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
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: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
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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
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
2PZN
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THE CRYSTALLOGRAPHIC STRUCTURE OF ALDOSE REDUCTASE IDD393 COMPLEX CONFIRMS LEU300 AS A SPECIFICITY DETERMINANT
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID
Authors:Ruiz, F., Hazemann, I., Darmanin, C., Mitschler, A., Van Zandt, M., Joachimiak, A., El-Kabbani, O., Podjarny, A.
Deposit date:2007-05-18
Release date:2008-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:The Crystallographic Structure of Alr2-Idd393 Complex Confirms Leu300 as a Specificity Determinant
To be Published
2QXW
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PERDEUTERATED ALR2 IN COMPLEX WITH IDD594
Descriptor:Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, IDD594, ...
Authors:Blakeley, M.P., Ruiz, F., Cachau, R., Hazemann, I., Meilleur, F., Mitschler, A., Ginell, S., Afonine, P., Ventura, O., Cousido-Siah, A., Joachimiak, A., Myles, D., Podjarny, A.
Deposit date:2007-08-13
Release date:2008-01-22
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2R24
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HUMAN ALDOSE REDUCTASE STRUCTURE
Descriptor:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, IDD594
Authors:Blakeley, M.P., Ruiz, F., Cachau, R., Hazemann, I., Meilleur, F., Mitschler, A., Ginell, S., Afonine, P., Ventura, O.N., Cousido-Siah, A., Haertlein, M., Joachimiak, A., Myles, D., Podjarny, A.
Deposit date:2007-08-24
Release date:2008-12-23
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.752 Å), NEUTRON DIFFRACTION
Cite:Quantum model of catalysis based on mobile proton revealed by subatomic X-Ray and neutron diffraction studies of h-Aldose Reductase
Proc.Natl.Acad.Sci.USA, 105, 2008
3GHR
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HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP+ AND THE INHIBITOR IDD594. INVESTIGATION OF GLOBAL EFFECTS OF RADIATION DAMAGE ON PROTEIN STRUCTURE. FIRST STAGE OF RADIATION DAMAGE
Descriptor:Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, IDD594, ...
Authors:Petrova, T., Ginell, S., Hazemann, I., Mitschler, A., Podjarny, A., Joachimiak, A.
Deposit date:2009-03-04
Release date:2009-03-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
3GHS
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HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP+ AND THE INHIBITOR IDD594. INVESTIGATION OF GLOBAL EFFECTS OF RADIATION DAMAGE ON PROTEIN STRUCTURE. SECOND STAGE OF RADIATION DAMAGE.
Descriptor:Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, IDD594, ...
Authors:Petrova, T., Ginell, S., Hazemann, I., Mitschler, A., Podjarny, A., Joachimiak, A.
Deposit date:2009-03-04
Release date:2009-03-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
3GHT
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HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP+ AND THE INHIBITOR IDD594. INVESTIGATION OF GLOBAL EFFECTS OF RADIATION DAMAGE ON PROTEIN STRUCTURE. THIRD STAGE OF RADIATION DAMAGE.
Descriptor:Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, IDD594, ...
Authors:Petrova, T., Ginell, S., Hazemann, I., Mitschler, A., Podjarny, A., Joachimiak, A.
Deposit date:2009-03-04
Release date:2009-03-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
3GHU
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HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP+ AND THE INHIBITOR IDD594. INVESTIGATION OF GLOBAL EFFECTS OF RADIATION DAMAGE ON PROTEIN STRUCTURE. FORTH STAGE OF RADIATION DAMAGE.
Descriptor:Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, IDD594, ...
Authors:Petrova, T., Ginell, S., Hazemann, I., Mitschler, A., Podjarny, A., Joachimiak, A.
Deposit date:2009-03-04
Release date:2009-03-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
3MTY
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COMPARISON OF THE CHARACTER AND THE SPEED OF X-RAY-INDUCED STRUCTURAL CHANGES OF PORCINE PANCREATIC ELASTASE AT TWO TEMPERATURES, 100 AND 15K. THE DATA SET WAS COLLECTED FROM REGION A OF THE CRYSTAL. FIRST STEP OF RADIATION DAMAGE
Descriptor:Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
Authors:Petrova, T., Ginell, S., Mitschler, A., Cousido-Siah, A., Hazemann, I., Podjarny, A., Joachimiak, A.
Deposit date:2010-05-01
Release date:2010-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MU0
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COMPARISON OF THE CHARACTER AND THE SPEED OF X-RAY-INDUCED STRUCTURAL CHANGES OF PORCINE PANCREATIC ELASTASE AT TWO TEMPERATURES, 100 AND 15K. THE DATA SET WAS COLLECTED FROM REGION A OF THE CRYSTAL. THIRD STEP OF RADIATION DAMAGE
Descriptor:Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
Authors:Petrova, T., Ginell, S., Mitschler, A., Cousido-Siah, A., Hazemann, I., Podjarny, A., Joachimiak, A.
Deposit date:2010-05-01
Release date:2010-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010