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1AKD
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BU of 1akd by Molmil
CYTOCHROME P450CAM FROM PSEUDOMONAS PUTIDA, COMPLEXED WITH 1S-CAMPHOR
Descriptor: CAMPHOR, CYTOCHROME P450CAM, POTASSIUM ION, ...
Authors:Schlichting, I, Jung, C, Schulze, H.
Deposit date:1997-05-16
Release date:1997-11-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of cytochrome P-450cam complexed with the (1S)-camphor enantiomer.
FEBS Lett., 415, 1997
1PS9
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BU of 1ps9 by Molmil
The Crystal Structure and Reaction Mechanism of E. coli 2,4-Dienoyl CoA Reductase
Descriptor: 2,4-dienoyl-CoA reductase, 5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A, CHLORIDE ION, ...
Authors:Hubbard, P.A, Liang, X, Schulz, H, Kim, J.J.
Deposit date:2003-06-20
Release date:2003-09-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure and reaction mechanism of Escherichia coli 2,4-dienoyl-CoA reductase
J.Biol.Chem., 278, 2003
1XX4
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BU of 1xx4 by Molmil
Crystal Structure of Rat Mitochondrial 3,2-Enoyl-CoA
Descriptor: 3,2-trans-enoyl-CoA isomerase, mitochondrial, BENZAMIDINE, ...
Authors:Hubbard, P.A, Yu, W, Schulz, H, Kim, J.-J.
Deposit date:2004-11-03
Release date:2004-11-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Domain swapping in the low-similarity isomerase/hydratase superfamily: the crystal structure of rat mitochondrial Delta3, Delta2-enoyl-CoA isomerase.
Protein Sci., 14, 2005
3DWB
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BU of 3dwb by Molmil
structure of human ECE-1 complexed with phosphoramidon
Descriptor: 5-(2-hydroxyethyl)nonane-1,9-diol, Endothelin-converting enzyme 1, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ...
Authors:Oefner, C.
Deposit date:2008-07-22
Release date:2008-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure of human endothelin-converting enzyme I complexed with phosphoramidon
J.Mol.Biol., 385, 2009
3FRE
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BU of 3fre by Molmil
S. aureus DHFR complexed with NADPH and TMP
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
Authors:Oefner, C, Dale-Glenn, E.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
3FRD
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BU of 3frd by Molmil
S. aureus DHFR complexed with NADPH and folate
Descriptor: DIHYDROFOLIC ACID, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C, Dale-Glenn, E.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
3FRA
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BU of 3fra by Molmil
Staphylococcus aureus F98Y DHFR complexed with iclaprim
Descriptor: 5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C, Dale-Glenn, E.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
3FRB
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BU of 3frb by Molmil
S. aureus F98Y DHFR complexed with TMP
Descriptor: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
Authors:Oefner, C, Dale-Glenn, E.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
3FRF
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BU of 3frf by Molmil
S. aureus DHFR complexed with NADPH and iclaprim
Descriptor: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C, Dale-Glenn, E.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
5AA6
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BU of 5aa6 by Molmil
Homohexameric Structure of the second Vanadate-Dependent Bromoperoxidase (AnII) from Ascophyllum nodosum
Descriptor: VANADATE ION, VANADIUM-DEPENDENT BROMOPEROXIDASE 2
Authors:Radlow, M, Jeudy, A, Dabin, J, Delage, L, Leblanc, C, Hartung, J, Czjzek, M.
Deposit date:2015-07-23
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Homohexameric Structure of the Second Vanadate Dependant Bromoperoxidase from Ascophyllum Nodosum
To be Published
2QPJ
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BU of 2qpj by Molmil
Human NEP complexed with a bifunctional NEP/DPP IV inhibitor
Descriptor: (2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)-4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ...
Authors:Oefner, C, Dale, G.E.
Deposit date:2007-07-24
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural studies of a bifunctional inhibitor of neprilysin and DPP-IV.
Acta Crystallogr.,Sect.D, 63, 2007
3FY8
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BU of 3fy8 by Molmil
Crystal Structure of Staph. aureus DHFR complexed with NADPH and AR-101
Descriptor: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C, Dale, G.E.
Deposit date:2009-01-22
Release date:2009-08-04
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
6R0X
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BU of 6r0x by Molmil
The extracellular domain of G6b-B in complex with Fab fragment and DP12 heparin oligosaccharide.
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Megakaryocyte and platelet inhibitory receptor G6b, antibody fab fragment heavy chain, ...
Authors:Ogg, D.J, McMiken, H.J, Howard, T.D.
Deposit date:2019-03-13
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Heparan sulfates are critical regulators of the inhibitory megakaryocyte-platelet receptor G6b-B.
Elife, 8, 2019
3FY9
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BU of 3fy9 by Molmil
Staph. aureus DHFR F98Y complexed with AR-102
Descriptor: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C.
Deposit date:2009-01-22
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
3FYW
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BU of 3fyw by Molmil
Staph. aureus DHFR complexed with NADPH and AR-101
Descriptor: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C.
Deposit date:2009-01-23
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
3FYV
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BU of 3fyv by Molmil
Staph. aureus DHFR complexed with NADPH and AR-102
Descriptor: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C.
Deposit date:2009-01-23
Release date:2009-08-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
2G2O
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BU of 2g2o by Molmil
Structure of E.coli FabD complexed with sulfate
Descriptor: Malonyl CoA-acyl carrier protein transacylase, SULFATE ION
Authors:Oefner, C.
Deposit date:2006-02-16
Release date:2006-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography.
Acta Crystallogr.,Sect.D, 62, 2006
2G1H
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BU of 2g1h by Molmil
Structure of E.coli FabD complexed with glycerol
Descriptor: GLYCEROL, Malonyl CoA-acyl carrier protein transacylase
Authors:Oefner, C.
Deposit date:2006-02-14
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography.
Acta Crystallogr.,Sect.D, 62, 2006
2G2Y
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BU of 2g2y by Molmil
Structure of E.coli FabD complexed with malonate
Descriptor: MALONATE ION, Malonyl CoA-acyl carrier protein transacylase
Authors:Oefner, C.
Deposit date:2006-02-17
Release date:2006-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography.
Acta Crystallogr.,Sect.D, 62, 2006
2G2Z
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BU of 2g2z by Molmil
Structure of E.coli FabD complexed with malonyl-CoA
Descriptor: COENZYME A, MALONIC ACID, Malonyl CoA-acyl carrier protein transacylase
Authors:Oefner, Christian
Deposit date:2006-02-17
Release date:2006-06-27
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography.
Acta Crystallogr.,Sect.D, 62, 2006
1Q0Q
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BU of 1q0q by Molmil
Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate
Descriptor: 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
Deposit date:2003-07-17
Release date:2004-07-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
1Q0L
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BU of 1q0l by Molmil
Crystal structure of DXR in complex with fosmidomycin
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
Deposit date:2003-07-16
Release date:2004-07-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
1Q0H
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BU of 1q0h by Molmil
Crystal structure of selenomethionine-labelled DXR in complex with fosmidomycin
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CITRIC ACID, ...
Authors:Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
Deposit date:2003-07-16
Release date:2004-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
1QXZ
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BU of 1qxz by Molmil
Crystal structure of S. aureus methionine aminopeptidase in complex with a ketoheterocycle inhibitor 119
Descriptor: (2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL, COBALT (II) ION, methionyl aminopeptidase
Authors:Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
Deposit date:2003-09-09
Release date:2004-03-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structures of staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.
J.Med.Chem., 47, 2004
1QXW
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BU of 1qxw by Molmil
Crystal structure of Staphyloccocus aureus in complex with an aminoketone inhibitor 54135.
Descriptor: (3S)-3-AMINO-1-(CYCLOPROPYLAMINO)HEPTANE-2,2-DIOL, ACETATE ION, COBALT (II) ION, ...
Authors:Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
Deposit date:2003-09-09
Release date:2004-03-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structures of staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.
J.Med.Chem., 47, 2004

 

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