Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4WK9
DownloadVisualize
BU of 4wk9 by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-02
Release date:2015-07-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.102 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
4WJX
DownloadVisualize
BU of 4wjx by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution
Descriptor: Chitotriosidase-1, L(+)-TARTARIC ACID
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-01
Release date:2015-07-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM
Acta Crystallogr.,Sect.D, 71, 2015
4LB4
DownloadVisualize
BU of 4lb4 by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
Deposit date:2013-06-20
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LBS
DownloadVisualize
BU of 4lbs by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
Deposit date:2013-06-21
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.76 Å)
Cite:Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LK8
DownloadVisualize
BU of 4lk8 by Molmil
Crystal structure of CyaY protein from Psychromonas ingrahamii in complex with Co(II)
Descriptor: COBALT (II) ION, Protein CyaY
Authors:Noguera, M.E, Roman, E.A, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
Deposit date:2013-07-07
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:Structural characterization of metal binding to a cold-adapted frataxin
J.Biol.Inorg.Chem., 20, 2015
5EUC
DownloadVisualize
BU of 5euc by Molmil
The role of the C-terminal region on the oligomeric state and enzymatic activity of Trypanosoma cruzi hypoxanthine phosphoribosyl transferase
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase
Authors:Valsecchi, W.M, Cousido-Siah, A, Mitschler, A, Podjarny, A, Delfino, J.M, Santos, J.
Deposit date:2015-11-18
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The role of the C-terminal region on the oligomeric state and enzymatic activity of Trypanosoma cruzi hypoxanthine phosphoribosyl transferase.
Biochim.Biophys.Acta, 1864, 2016
4QXI
DownloadVisualize
BU of 4qxi by Molmil
Crystal structure of human AR complexed with NADP+ and AK198
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Hobza, P, Podjarny, A.D.
Deposit date:2014-07-21
Release date:2015-07-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (0.867 Å)
Cite:The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition.
Acs Chem.Biol., 10, 2015
6B9O
DownloadVisualize
BU of 6b9o by Molmil
Structure of GH 38 Jack Bean alpha-mannosidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), 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
Last modified:2024-11-20
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
DownloadVisualize
BU of 6b9p by Molmil
Structure of GH 38 Jack Bean alpha-mannosidase in complex with a 36-valent iminosugar cluster inhibitor
Descriptor: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ...
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
Last modified:2024-11-06
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
1MZN
DownloadVisualize
BU of 1mzn by Molmil
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: 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, RXR retinoid X receptor
Authors:Egea, P.F, Mitschler, A, Moras, D.
Deposit date:2002-10-09
Release date:2002-10-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Recognition of Agonist Ligands by RXRs
MOL.ENDOCRINOL., 16, 2002
4LP1
DownloadVisualize
BU of 4lp1 by Molmil
Crystal structure of CyaY protein from Psychromonas ingrahamii in complex with Eu(III)
Descriptor: EUROPIUM (III) ION, Protein CyaY
Authors:Noguera, M.E, Roman, E.A, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
Deposit date:2013-07-14
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural characterization of metal binding to a cold-adapted frataxin
J.Biol.Inorg.Chem., 20, 2015
4NY6
DownloadVisualize
BU of 4ny6 by Molmil
Neutron structure of leucine and valine methyl protonated type III antifreeze
Descriptor: Type-3 ice-structuring protein HPLC 12
Authors:Fisher, S.J, Blakeley, M.P, Howard, E.I, Petite-Haertlein, I, Haertlein, M, Mitschler, A, Cousido-Siah, A, Salvaya, A.G, Popov, A, Muller-Dieckmann, C, Petrova, T, Podjarny, A.D.
Deposit date:2013-12-10
Release date:2014-12-24
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (1.05 Å), X-RAY DIFFRACTION
Cite:Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography.
Acta Crystallogr.,Sect.D, 70, 2014
5CE5
DownloadVisualize
BU of 5ce5 by Molmil
Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, CALCIUM ION, ...
Authors:Sezerman, O.U, Podjarny, A.D, Emel, T, Cousido-Siah, A, Mitschler, A.
Deposit date:2015-07-06
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5.
Proteins, 84, 2016
4GAB
DownloadVisualize
BU of 4gab by Molmil
Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldo-keto reductase family 1 member B10, CHLORIDE ION, ...
Authors:Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A.
Deposit date:2012-07-25
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5971 Å)
Cite:X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: Implications for inhibitor binding and selectivity.
Chem.Biol.Interact, 202, 2013
4LBD
DownloadVisualize
BU of 4lbd by Molmil
LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO THE SYNTHETIC AGONIST BMS961
Descriptor: 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, RETINOIC ACID RECEPTOR GAMMA
Authors:Klaholz, B.P, Renaud, J.-P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:1998-02-04
Release date:1999-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational adaptation of agonists to the human nuclear receptor RAR gamma.
Nat.Struct.Biol., 5, 1998
5NRF
DownloadVisualize
BU of 5nrf by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7i
Descriptor: 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine, Chitotriosidase-1, 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:2024-11-13
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
2AGT
DownloadVisualize
BU of 2agt by Molmil
Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
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:2023-08-23
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
1EXA
DownloadVisualize
BU of 1exa by Molmil
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: DODECYL-ALPHA-D-MALTOSIDE, R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, RETINOIC ACID RECEPTOR GAMMA-2
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:2023-08-09
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
1FCZ
DownloadVisualize
BU of 1fcz by Molmil
ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE PANAGONIST RETINOID BMS181156
Descriptor: 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
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:2023-08-09
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
1FCX
DownloadVisualize
BU of 1fcx by Molmil
ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID BMS184394
Descriptor: 6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
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:2023-08-09
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
1EXX
DownloadVisualize
BU of 1exx by Molmil
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: 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, RETINOIC ACID RECEPTOR GAMMA-2
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:2024-02-07
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
1FCY
DownloadVisualize
BU of 1fcy by Molmil
ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARBETA/GAMMA-SELECTIVE RETINOID CD564
Descriptor: 6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
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:2023-08-09
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
1Z3N
DownloadVisualize
BU of 1z3n by Molmil
Human aldose reductase in complex with NADP+ and the inhibitor lidorestat at 1.04 angstrom
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase, {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID
Authors:Van Zandt, M.C, Jones, M.L, Gunn, D.E, Geraci, L.S, Jones, J.H, Sawicki, D.R, Sredy, J, Jacot, J.L, Dicioccio, A.T, Petrova, T, Mitschler, A, Podjarny, A.D.
Deposit date:2005-03-14
Release date:2006-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications
J.Med.Chem., 48, 2005
1US0
DownloadVisualize
BU of 1us0 by Molmil
Human Aldose Reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 Angstrom
Descriptor: ALDOSE REDUCTASE, CITRIC ACID, 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:2024-05-08
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
5HR3
DownloadVisualize
BU of 5hr3 by Molmil
Crystal structure of thioredoxin N106A mutant
Descriptor: COPPER (II) ION, ETHANOL, SULFATE ION, ...
Authors:Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
Deposit date:2016-01-22
Release date:2017-02-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017

238582

PDB entries from 2025-07-09

PDB statisticsPDBj update infoContact PDBjnumon