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2PDH
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BU of 2pdh by Molmil
Human aldose reductase mutant L300P complexed with uracil-type inhibitor at 1.45 A.
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-03-31
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDU
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BU of 2pdu by Molmil
Human aldose reductase mutant C303D complexed with IDD393.
Descriptor: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-04-01
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
5V85
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BU of 5v85 by Molmil
The crystal structure of the protein of DegV family COG1307 from Ruminococcus gnavus ATCC 29149 (alternative refinement of PDB 3JR7 with Vaccenic acid)
Descriptor: EDD domain protein, DegV family, PHOSPHATE ION, ...
Authors:Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O.
Deposit date:2017-03-21
Release date:2018-11-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
7EL2
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BU of 7el2 by Molmil
Crystal structure of apo-HpaR from Acinetobacter baumannii
Descriptor: Homoprotocatechuate degradation operon regulator HpaR
Authors:Permsirivisarn, P, Pakotiprapha, D.
Deposit date:2021-04-07
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of transcription regulation by Acinetobacter baumannii HpaR in the catabolism of p-hydroxyphenylacetate.
Febs J., 289, 2022
2PDI
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BU of 2pdi by Molmil
Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 A.
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-04-01
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDY
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BU of 2pdy by Molmil
Human aldose reductase double mutant S302R-C303D complexed with fidarestat.
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-04-01
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDN
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BU of 2pdn by Molmil
Human aldose reductase mutant S302R complexed with uracil-type inhibitor.
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-04-01
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
5OR4
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BU of 5or4 by Molmil
Crystal structure of Aspergillus oryzae catechol oxidase in deoxy-form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:Hakulinen, N, Penttinen, L, Rutanen, C, Rouvinen, J.
Deposit date:2017-08-15
Release date:2018-05-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes.
PLoS ONE, 13, 2018
5UK9
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BU of 5uk9 by Molmil
Wild-type K-Ras(GCP) pH 6.5
Descriptor: GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Parker, J.A, Mattos, C.
Deposit date:2017-01-20
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:K-Ras Populates Conformational States Differently from Its Isoform H-Ras and Oncogenic Mutant K-RasG12D.
Structure, 26, 2018
5TM0
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BU of 5tm0 by Molmil
Solution NMR structures of two alternative conformations of E. coli tryptophan repressor in dynamic equilibrium
Descriptor: Trp operon repressor
Authors:Harish, B, Swapna, G.V.T, Kornhaber, G.J, Montelione, G.T, Carey, J, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-10-12
Release date:2017-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Multiple helical conformations of the helix-turn-helix region revealed by NOE-restrained MD simulations of tryptophan aporepressor, TrpR.
Proteins, 85, 2017
5OR3
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BU of 5or3 by Molmil
Crystal structure of Aspergillus oryzae catechol oxidase in met/deoxy-form
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hakulinen, N, Penttinen, L, Rutanen, C, Rouvinen, J.
Deposit date:2017-08-15
Release date:2018-05-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes.
PLoS ONE, 13, 2018
2PD9
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BU of 2pd9 by Molmil
Human aldose reductase mutant V47I complexed with fidarestat.
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-03-31
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDF
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BU of 2pdf by Molmil
Human aldose reductase mutant L300P complexed with zopolrestat.
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-03-31
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDX
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BU of 2pdx by Molmil
Human aldose reductase double mutant S302R-C303D complexed with zopolrestat.
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-04-01
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDL
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BU of 2pdl by Molmil
Human aldose reductase mutant L301M complexed with tolrestat.
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-04-01
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDP
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BU of 2pdp by Molmil
Human aldose reductase mutant S302R complexed with IDD 393.
Descriptor: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-04-01
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
1PN0
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BU of 1pn0 by Molmil
Phenol hydroxylase from Trichosporon cutaneum
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHENOL, ...
Authors:Enroth, C.
Deposit date:2003-06-12
Release date:2003-09-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution structure of phenol hydroxylase and correction of sequence errors.
Acta Crystallogr.,Sect.D, 59, 2003
5UXY
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BU of 5uxy by Molmil
The crystal structure of a DegV family protein from Eubacterium eligens loaded with heptadecanoic acid to 1.80 Angstrom resolution (ALTERNATIVE REFINEMENT OF PDB 3FDJ with HEPTADECANOIC acid)
Descriptor: ACETIC ACID, DegV family protein, SODIUM ION, ...
Authors:Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O.
Deposit date:2017-02-23
Release date:2018-11-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
2PDC
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BU of 2pdc by Molmil
Human aldose reductase mutant F121P complexed with IDD393.
Descriptor: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-03-31
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDK
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BU of 2pdk by Molmil
Human aldose reductase mutant L301M complexed with sorbinil.
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SORBINIL
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-04-01
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
1OT4
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BU of 1ot4 by Molmil
Solution structure of Cu(II)-CopC from Pseudomonas syringae
Descriptor: COPPER (II) ION, Copper resistance protein C
Authors:Arnesano, F, Banci, L, Bertini, I, Felli, I.C, Luchinat, C, Thompsett, A.R, Structural Proteomics in Europe (SPINE)
Deposit date:2003-03-21
Release date:2003-07-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A Strategy for the NMR Characterization of Type II Copper(II) Proteins: the Case of the Copper Trafficking Protein CopC from Pseudomonas Syringae.
J.Am.Chem.Soc., 125, 2003
1J3G
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BU of 1j3g by Molmil
Solution structure of Citrobacter Freundii AmpD
Descriptor: AmpD protein, ZINC ION
Authors:Liepinsh, E, Genereux, C, Dehareng, D, Joris, B, Otting, G.
Deposit date:2003-01-31
Release date:2003-02-18
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR Structure of Citrobacter freundii AmpD, Comparison with Bacteriophage T7 Lysozyme and Homology with PGRP Domains
J.Mol.Biol., 327, 2003
2PDJ
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BU of 2pdj by Molmil
Human aldose reductase mutant L300A complexed with IDD393.
Descriptor: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-04-01
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDW
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BU of 2pdw by Molmil
Human aldose reductase mutant C303D complexed with fidarestat.
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Heine, A, Klebe, G.
Deposit date:2007-04-01
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
4I8N
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BU of 4i8n by Molmil
CRYSTAL STRUCTURE of PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN INHIBITOR [(4-{(2S)-2-(1,3-BENZOXAZOL-2-YL)-2-[(4-FLUOROPHENYL)SULFAMOYL]ETHYL}PHENYL)AMINO](OXO)ACETIC ACID
Descriptor: Tyrosine-protein phosphatase non-receptor type 1, [(4-{(2S)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid
Authors:Reddy, S.M.V.V.V, Rao, K.N, Subramanya, H.
Deposit date:2012-12-03
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-Ray Structure of PTP1B in Complex with a New PTP1B Inhibitor.
Protein Pept.Lett., 21, 2014

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