Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 1653 results
2PD9
DownloadVisualize
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
DownloadVisualize
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
2PDI
DownloadVisualize
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
DownloadVisualize
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
2PDX
DownloadVisualize
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
3OOG
DownloadVisualize
BU of 3oog by Molmil
human cAMP-dependent protein kinase in complex with a small fragment
Descriptor: 1-(4-hydroxy-3-methylphenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-08-31
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment based drug design on human PKA
To be Published
2PDP
DownloadVisualize
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
3OXT
DownloadVisualize
BU of 3oxt by Molmil
Human cAMP-dependent protein kinase in complex with an inhibitor
Descriptor: (2S)-2-amino-N'-[(1E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-09-22
Release date:2011-09-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment based drug design on PKA
To be Published
3OWP
DownloadVisualize
BU of 3owp by Molmil
Human cAMP-dependent protein kinase in complex with an inhibitor
Descriptor: (2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-09-20
Release date:2011-09-21
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:fragment based drug design on PKA
To be Published
3OVV
DownloadVisualize
BU of 3ovv by Molmil
Human cAMP-dependent protein kinase in complex with an inhibitor
Descriptor: (2S,3S)-butane-2,3-diol, N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-09-17
Release date:2011-09-21
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:fragment based drug design on PKA
To be Published
3P0M
DownloadVisualize
BU of 3p0m by Molmil
Human cAMP-dependent protein kinase in complex with an inhibitor
Descriptor: (2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-09-29
Release date:2011-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fragment based drug design on PKA
To be Published
2PDM
DownloadVisualize
BU of 2pdm by Molmil
Human aldose reductase mutant S302R 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 (1.75 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDQ
DownloadVisualize
BU of 2pdq by Molmil
Human aldose reductase mutant C303D 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 (1.73 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2R3T
DownloadVisualize
BU of 2r3t by Molmil
I50V HIV-1 protease mutant in complex with a carbamoyl decorated pyrrolidine-based inhibitor
Descriptor: 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, Protease
Authors:Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
Deposit date:2007-08-30
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
2PDB
DownloadVisualize
BU of 2pdb by Molmil
Human aldose reductase mutant F121P 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 (1.6 Å)
Cite:Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
2PDL
DownloadVisualize
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
3QBF
DownloadVisualize
BU of 3qbf by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor
Descriptor: 4-{(3-phenylpropyl)[(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide, CHLORIDE ION, GLYCEROL, ...
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-01-13
Release date:2012-01-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease
To be Published
3QIH
DownloadVisualize
BU of 3qih by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor
Descriptor: (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease, ...
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-01-27
Release date:2012-02-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Novel inhibitors for HIV-1 protease
To be Published
3POO
DownloadVisualize
BU of 3poo by Molmil
human cAMP-dependent protein kinase in complex with an inhibitor
Descriptor: (2S,3S)-butane-2,3-diol, N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-11-23
Release date:2011-11-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:fragment based drug design on PKA
To be Published
2QAE
DownloadVisualize
BU of 2qae by Molmil
Crystal Structure Analysis of Trypanosoma cruzi Lipoamide dehydrogenase
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Werner, C, Krauth-Siegel, R.L, Stubbs, M.T, Klebe, G.
Deposit date:2007-06-15
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of lipoamide dehydrogenase from Trypanosoma cruzi: A Putative target for the design of new drugs against Chagas disease
To be Published
3P17
DownloadVisualize
BU of 3p17 by Molmil
Thrombin Inhibition by Pyridin Derivatives
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2010-09-30
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin.
J.Mol.Biol., 418, 2012
3QRS
DownloadVisualize
BU of 3qrs by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor
Descriptor: 4-({(3S,4S)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide, CHLORIDE ION, Protease
Authors:Lindemann, I, Heine, A, Klebe, G.
Deposit date:2011-02-18
Release date:2012-02-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease
To be Published
3QX5
DownloadVisualize
BU of 3qx5 by Molmil
Thrombin Inhibition by Pyridin Derivatives
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-03-01
Release date:2012-03-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
3QTV
DownloadVisualize
BU of 3qtv by Molmil
Thrombin Inhibition by Pyridin Derivatives
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-02-23
Release date:2012-02-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
3QWC
DownloadVisualize
BU of 3qwc by Molmil
Thrombin Inhibition by Pyridin Derivatives
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-02-28
Release date:2012-03-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012

224931

PDB entries from 2024-09-11

PDB statisticsPDBj update infoContact PDBjnumon