7OKB
 
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, SULFATE ION, ... | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.58 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OKC
 | | Crystal structure of Escherichia coli LpxA in complex with compound 1 | | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OJP
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 | | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, MAGNESIUM ION | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OK1
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 | | Descriptor: | Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OJ6
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 | | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, ACETATE ION, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, ... | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-14 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OJQ
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 7 | | Descriptor: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OJW
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 93 | | Descriptor: | 2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{N}-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OK2
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 | | Descriptor: | Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, SULFATE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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5N8C
 | | Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor | | Descriptor: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Cross, J.B, Ryan, M.D, Zhang, J, Cheng, R.K, Wood, M, Andersen, O.A, Brooks, M, Kwong, J, Barker, J. | | Deposit date: | 2017-02-23 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based discovery of LpxC inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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2STB
 | | ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II) | | Descriptor: | CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN) | | Authors: | Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O. | | Deposit date: | 1998-12-11 | | Release date: | 2000-01-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes.
Acta Crystallogr.,Sect.D, 55, 1999
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2STA
 | | ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA MAXIMA TRYPSIN INHIBITOR I) | | Descriptor: | CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN) | | Authors: | Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O. | | Deposit date: | 1998-12-10 | | Release date: | 2000-01-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes.
Acta Crystallogr.,Sect.D, 55, 1999
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2A3A
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline | | Descriptor: | SULFATE ION, THEOPHYLLINE, chitinase | | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | | Deposit date: | 2005-06-24 | | Release date: | 2005-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
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2FYJ
 | | NMR Solution structure of calcium-loaded LRP double module | | Descriptor: | Low-density lipoprotein receptor-related protein 1 | | Authors: | Jensen, G.A, Andersen, O.M, Bonvin, A.M, Bjerrum-Bohr, I, Etzerodt, M, O'shea, C, Poulsen, F.M, Kragelund, B.B. | | Deposit date: | 2006-02-08 | | Release date: | 2006-10-10 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Binding Site Structure of One LRP-RAP Complex:Implications for a Common Ligand-Receptor Binding Motif.
J.Mol.Biol., 362, 2006
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2RQK
 | | NMR Solution Structure of Mesoderm Development (MESD) - closed conformation | | Descriptor: | Mesoderm development candidate 2 | | Authors: | Koehler, C, Lighthouse, J.K, Werther, T, Andersen, O.M, Diehl, A, Schmieder, P, Holdener, B.C, Oschkinat, H. | | Deposit date: | 2009-08-06 | | Release date: | 2009-08-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The Structure of MESD45-184 Brings Light into the Mechanism of LDLR Family Folding
Structure, 19, 2011
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2RQM
 | | NMR Solution Structure of Mesoderm Development (MESD) - open conformation | | Descriptor: | Mesoderm development candidate 2 | | Authors: | Koehler, C, Lighthouse, J.K, Werther, T, Andersen, O.M, Diehl, A, Schmieder, P, Holdener, B.C, Oschkinat, H. | | Deposit date: | 2009-08-14 | | Release date: | 2009-08-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The Structure of MESD45-184 Brings Light into the Mechanism of LDLR Family Folding
Structure, 19, 2011
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2I9S
 | | The solution structure of the core of mesoderm development (MESD). | | Descriptor: | Mesoderm development candidate 2 | | Authors: | Koehler, C, Andersen, O, Diehl, A, Schmieder, P, Krause, G, Oschkinat, H. | | Deposit date: | 2006-09-06 | | Release date: | 2007-05-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the core of mesoderm development (MESD), a chaperone for members of the LDLR-family
J.STRUCT.FUNCT.GENOM., 7, 2006
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1UTO
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | 2-PHENYLETHYLAMINE, CALCIUM ION, GLYCEROL, ... | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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1UTP
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | 4-PHENYLBUTYLAMINE, CALCIUM ION, GLYCEROL, ... | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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1UTL
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-PHENYLPROPYLAMINE, CALCIUM ION, ... | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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1UTQ
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | CALCIUM ION, GLYCEROL, TRYPSINOGEN | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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1UTN
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZYLAMINE, CALCIUM ION, ... | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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1UTJ
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | BENZYLAMINE, CALCIUM ION, TRYPSIN I | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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1UTM
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | 2-PHENYLETHYLAMINE, CALCIUM ION, TRYPSIN I | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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1UTK
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN I | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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2IUZ
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine | | Descriptor: | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), CHITINASE, SULFATE ION | | Authors: | Schuttelkopf, A.W, Andersen, O.A, Rao, F.V, Allwood, M, Lloyd, C.M, Eggleston, I.M, Van Aalten, D.M.F. | | Deposit date: | 2006-06-08 | | Release date: | 2006-06-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Screening-Based Discovery and Structural Dissection of a Novel Family 18 Chitinase Inhibitor
J.Biol.Chem., 281, 2006
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