1Y8J
 
 | | Crystal Structure of human NEP complexed with an imidazo[4,5-c]pyridine inhibitor | | Descriptor: | 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Sahli, S, Frank, B, Schweizer, W.B, Diederich, F, Blum-Kaelin, D, Aebi, J.D, Bohm, H.J, Oefner, C, Dale, G.E. | | Deposit date: | 2004-12-13 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Second-Generation Inhibitors for the Metalloprotease Neprilysin Based on Bicyclic Heteroaromatic Scaffolds: Synthesis, Biological Activity, and X-ray Crystal Structure Analysis
HELV.CHIM.ACTA, 88, 2005
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2QPJ
 | | 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
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3FY8
 | | 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: | 2024-05-29 | | 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
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1PFQ
 | | crystal structure of human apo dipeptidyl peptidase IV / CD26 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV soluble form | | Authors: | Oefner, C, D'Arcy, A, Mac Sweeney, A, Pierau, S, Gardiner, R, Dale, G.E. | | Deposit date: | 2003-05-27 | | Release date: | 2003-07-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution structure of human apo dipeptidyl peptidase IV/CD26 and its complex with 1-[([2-[(5-iodopyridin-2-yl)amino]-ethyl]amino)-acetyl]-2-cyano-(S)-pyrrolidine.
Acta Crystallogr.,Sect.D, 59, 2003
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1QXY
 | | Crystal structure of S. aureus methionine aminopeptidase in complex with a ketoheterocycle 618 | | Descriptor: | (2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-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 (1.04 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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1R1H
 | | STRUCTURAL ANALYSIS OF NEPRILYSIN WITH VARIOUS SPECIFIC AND POTENT INHIBITORS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE, Neprilysin, ... | | Authors: | Oefner, C, Roques, B.P, Fournie-Zaluski, M.C, Dale, G.E. | | Deposit date: | 2003-09-24 | | Release date: | 2004-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural analysis of neprilysin with various specific and potent inhibitors.
Acta Crystallogr.,Sect.D, 60, 2004
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1R1I
 | | STRUCTURAL ANALYSIS OF NEPRILYSIN WITH VARIOUS SPECIFIC AND POTENT INHIBITORS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ZINC ION, ... | | Authors: | Oefner, C, Roques, B.P, Fournie-Zaluski, M.C, Dale, G.E. | | Deposit date: | 2003-09-24 | | Release date: | 2004-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural analysis of neprilysin with various specific and potent inhibitors.
Acta Crystallogr.,Sect.D, 60, 2004
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1R1J
 | | STRUCTURAL ANALYSIS OF NEPRILYSIN WITH VARIOUS SPECIFIC AND POTENT INHIBITORS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE, Neprilysin, ... | | Authors: | Oefner, C, Roques, B.P, Fournie-Zaluski, M.C, Dale, G.E. | | Deposit date: | 2003-09-24 | | Release date: | 2004-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural analysis of neprilysin with various specific and potent inhibitors.
Acta Crystallogr.,Sect.D, 60, 2004
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1QXZ
 | | 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
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1QXW
 | | 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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1DMT
 | | STRUCTURE OF HUMAN NEUTRAL ENDOPEPTIDASE COMPLEXED WITH PHOSPHORAMIDON | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ... | | Authors: | Oefner, C, D'Arcy, A, Hennig, M, Winkler, F.K, Dale, G.E. | | Deposit date: | 1999-12-15 | | Release date: | 2000-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of human neutral endopeptidase (Neprilysin) complexed with phosphoramidon.
J.Mol.Biol., 296, 2000
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2DHN
 | | COMPLEX OF 7,8-DIHYDRONEOPTERIN ALDOLASE FROM STAPHYLOCOCCUS AUREUS WITH 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 2.2 A RESOLUTION | | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-DIHYDRONEOPTERIN ALDOLASE | | Authors: | Hennig, M, D'Arcy, A, Hampele, I.C, Page, M.G.P, Oefner, C.H, Dale, G. | | Deposit date: | 1998-03-31 | | Release date: | 1999-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and reaction mechanism of 7,8-dihydroneopterin aldolase from Staphylococcus aureus.
Nat.Struct.Biol., 5, 1998
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3FRE
 | | 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
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3FRD
 | | 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
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3FRA
 | | 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: | 2024-05-29 | | 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
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3FRB
 | | 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: | 2024-05-29 | | 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
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3FRF
 | | 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
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1AD1
 | | DIHYDROPTEROATE SYNTHETASE (APO FORM) FROM STAPHYLOCOCCUS AUREUS | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIHYDROPTEROATE SYNTHETASE, POTASSIUM ION | | Authors: | Kostrewa, D, Oefner, C, D'Arcy, A. | | Deposit date: | 1997-02-19 | | Release date: | 1998-04-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function of the dihydropteroate synthase from Staphylococcus aureus.
J.Mol.Biol., 268, 1997
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1AD4
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3FY9
 | | 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
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3FYW
 | | 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
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3FYV
 | | 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
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2G2Z
 | | 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
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2G2Y
 | | 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
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2G2O
 | | 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
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