4ABI
 
 | | Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond | | 分子名称: | CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ... | | 著者 | Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H. | | 登録日 | 2011-12-08 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
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4A1V
 | | Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E | | 分子名称: | CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ... | | 著者 | Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W. | | 登録日 | 2011-09-20 | | 公開日 | 2012-09-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
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4AOR
 | | Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CATIONIC TRYPSIN, ... | | 著者 | Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W. | | 登録日 | 2012-03-29 | | 公開日 | 2013-01-09 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
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2W02
 | | Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with ATP from Pectobacterium Chrysanthemi | | 分子名称: | ACSD, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H. | | 登録日 | 2008-08-08 | | 公開日 | 2009-01-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis.
Nat. Chem. Biol., 5, 2009
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4A1X
 | | Co-Complex structure of NS3-4A protease with the inhibitory peptide CP5-46-A (Synchrotron data) | | 分子名称: | CHLORIDE ION, CP5-46-A PEPTIDE, NONSTRUCTURAL PROTEIN 4A, ... | | 著者 | Schmelz, S, Kuegler, J, Collins, J, Heinz, D. | | 登録日 | 2011-09-20 | | 公開日 | 2012-09-19 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
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2W03
 | | Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with adenosine, sulfate and citrate from Pectobacterium Chrysanthemi | | 分子名称: | ACSD, ADENOSINE, CITRIC ACID, ... | | 著者 | Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H. | | 登録日 | 2008-08-08 | | 公開日 | 2009-01-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis
Nat.Chem.Biol., 5, 2009
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2W04
 | | Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with citrate in ATP binding site from Pectobacterium Chrysanthemi | | 分子名称: | ACSD, CITRATE ANION | | 著者 | Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H. | | 登録日 | 2008-08-08 | | 公開日 | 2009-01-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis
Nat.Chem.Biol., 5, 2009
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4ALZ
 | | The Yersinia T3SS basal body component YscD reveals a different structural periplasmatic domain organization to known homologue PrgH | | 分子名称: | GLYCEROL, PHOSPHATE ION, YOP PROTEINS TRANSLOCATION PROTEIN D | | 著者 | Schmelz, S, Wisand, U, Stenta, M, Muenich, S, Widow, U, Cornelis, G.R, Heinz, D.W. | | 登録日 | 2012-03-06 | | 公開日 | 2013-04-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | In Situ Structural Analysis of the Yersinia Enterocolitica Injectisome.
Elife, 2, 2013
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4A1T
 | | Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data) | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ... | | 著者 | Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W. | | 登録日 | 2011-09-19 | | 公開日 | 2012-09-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
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3FFE
 | | Structure of Achromobactin Synthetase Protein D, (AcsD) | | 分子名称: | AcsD | | 著者 | McMahon, S.A, Liu, H, Carter, L, Oke, M, Johnson, K.A, Schmelz, S, Challis, G.L, White, M.F, Naismith, J.H, Scottish Structural Proteomics Facility (SSPF) | | 登録日 | 2008-12-03 | | 公開日 | 2009-02-03 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis
Nat.Chem.Biol., 5, 2009
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8RZ6
 | | SeMet derivative structure of the condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase | | 分子名称: | FORMIC ACID, GLYCEROL, POTASSIUM ION, ... | | 著者 | Karanth, M, Schmelz, S, Kirkpatrick, J, Krausze, J, Scrima, A, Carlomagno, T. | | 登録日 | 2024-02-12 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain.
Sci Adv, 10, 2024
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8QNF
 | | Crystal structure of the Condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase | | 分子名称: | Condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase, FORMIC ACID, GLYCEROL, ... | | 著者 | Karanth, M, Schmelz, S, Kirkpatrick, J, Krausze, J, Scrima, A, Carlomagno, T. | | 登録日 | 2023-09-26 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain.
Sci Adv, 10, 2024
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7R3J
 | | Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL | | 分子名称: | 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION, ... | | 著者 | Borgert, S.R, Schmelz, S, Blankenfeldt, W. | | 登録日 | 2022-02-07 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
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7R3F
 | | Monomeric PqsE mutant E187R | | 分子名称: | 2-aminobenzoylacetyl-CoA thioesterase, BENZOIC ACID, CACODYLATE ION, ... | | 著者 | Borgert, S.R, Schmelz, S, Blankenfeldt, W. | | 登録日 | 2022-02-07 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
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7R3E
 | | Fusion construct of PqsE and RhlR in complex with the synthetic antagonist mBTL | | 分子名称: | 2-aminobenzoylacetyl-CoA thioesterase,Regulatory protein RhlR, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION | | 著者 | Borgert, S.R, Schmelz, S, Blankenfeldt, W. | | 登録日 | 2022-02-07 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.46 Å) | | 主引用文献 | Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
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2X0O
 | | Apo structure of the Alcaligin biosynthesis protein C (AlcC) from Bordetella bronchiseptica | | 分子名称: | ALCALIGIN BIOSYNTHESIS PROTEIN, SULFATE ION | | 著者 | Johnson, K.A, Schmelz, S, Kadi, N, Mcmahon, S.A, Oke, M, Liu, H, Carter, L.G, White, M.F, Challis, G.L, Naismith, J.H. | | 登録日 | 2009-12-16 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
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