3UI4
| 0.8 A resolution crystal structure of human Parvulin 14 | Descriptor: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SULFATE ION | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | Deposit date: | 2011-11-04 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases. J.Am.Chem.Soc., 133, 2011
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3UI5
| Crystal structure of human Parvulin 14 | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | Deposit date: | 2011-11-04 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases. J.Am.Chem.Soc., 133, 2011
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3UI6
| 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | Deposit date: | 2011-11-04 | Release date: | 2012-11-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT To be Published
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1E6E
| ADRENODOXIN REDUCTASE/ADRENODOXIN COMPLEX OF MITOCHONDRIAL P450 SYSTEMS | Descriptor: | ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Mueller, J.J, Lapko, A, Bourenkov, G, Ruckpaul, K, Heinemann, U. | Deposit date: | 2000-08-15 | Release date: | 2001-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Adrenodoxin Reductase-Adrenodoxin Complex Structure Suggests Electron Transfer Path in Steroid Biosynthesis. J.Biol.Chem., 276, 2001
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2VNL
| MUTANT Y108Wdel OF THE HEADBINDING DOMAIN OF PHAGE P22 TAILSPIKE C- TERMINally fused to ISOLEUCINE ZIPPER pIIGCN4 (chimera II) | Descriptor: | BIFUNCTIONAL TAIL PROTEIN, PIIGCN4, GLYCEROL | Authors: | Mueller, J.J, Seul, A, Mueller, G, Seckler, R, Heinemann, U. | Deposit date: | 2008-02-05 | Release date: | 2009-02-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bacteriophage P22 Tailspike: Structure of the Complete Protein and Function of the Interdomain Linker Acta Crystallogr.,Sect.D, 70, 2014
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8PXI
| Crystal structure of Endothiapepsin soaked with FRG283 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol, DIMETHYL SULFOXIDE, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-23 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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2YIO
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2XC1
| Full-length Tailspike Protein Mutant Y108W of Bacteriophage P22 | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, ... | Authors: | Mueller, J.J, Seul, A, Seckler, R, Heinemann, U. | Deposit date: | 2010-04-15 | Release date: | 2011-05-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Bacteriophage P22 Tailspike: Structure of the Complete Protein and Function of the Interdomain Linker Acta Crystallogr.,Sect.D, 70, 2014
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2YIL
| Crystal Structure of Parasite Sarcocystis muris Lectin SML-2 | Descriptor: | CHLORIDE ION, GLYCEROL, MICRONEME ANTIGEN L2, ... | Authors: | Mueller, J.J, Weiss, M.S, Heinemann, U. | Deposit date: | 2011-05-16 | Release date: | 2011-11-02 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pan-Modular Structure of Microneme Protein Sml-2 from Parasite Sarcocystis Muris at 1.95 A Resolution and its Complex with 1-Thio-Beta-D-Galactose. Acta Crystallogr.,Sect.D, D67, 2011
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2YIP
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2XKW
| LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST PIOGLITAZONE | Descriptor: | (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Mueller, J.J, Schupp, M, Unger, T, Kintscher, U, Heinemann, U. | Deposit date: | 2010-07-14 | Release date: | 2011-08-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Binding Diversity of Pioglitazone by Peroxisome Proliferator-Activated Receptor-Gamma To be Published
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8Q0Y
| Endothiapepsin in complex with ligand (3R,5R)-5-(3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-085.1) | Descriptor: | (3~{R},5~{R})-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q13
| Endothiapepsin in complex with ligand (3R,5R)-5-(3-(2-amino-4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-168) | Descriptor: | (3~{R},5~{R})-5-[3-[2-azanyl-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q11
| Endothiapepsin in complex with ligand (3R,5R)-5-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-126) | Descriptor: | (3~{R},5~{R})-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q12
| Endothiapepsin in complex with ligand (3R,5R)-5-(3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-146.2) | Descriptor: | (3~{R},5~{R})-5-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q4B
| Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-163.1) | Descriptor: | (3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-08-05 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q10
| Endothiapepsin in complex with ligand (3R,5R)-3-(2-(hydroxymethyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-125) | Descriptor: | (3~{R},5~{R})-3-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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1AQ0
| BARLEY 1,3-1,4-BETA-GLUCANASE IN MONOCLINIC SPACE GROUP | Descriptor: | 1,3-1,4-BETA-GLUCANASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION | Authors: | Mueller, J.J, Thomsen, K.K, Heinemann, U. | Deposit date: | 1997-08-05 | Release date: | 1998-02-11 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of barley 1,3-1,4-beta-glucanase at 2.0-A resolution and comparison with Bacillus 1,3-1,4-beta-glucanase. J.Biol.Chem., 273, 1998
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8Q0Z
| Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-089) | Descriptor: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q0W
| Endothiapepsin in complex with ligand (3R,5R)-3-(2-((allyl(methyl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-086) | Descriptor: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-enyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q14
| Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(2-nitro-4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-171) | Descriptor: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q0X
| Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(propyl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-087) | Descriptor: | (3~{R},5~{R})-3-[2-[[methyl(propyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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8Q0V
| Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-073) | Descriptor: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | Deposit date: | 2023-07-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits To Be Published
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2VJJ
| TAILSPIKE PROTEIN OF E.COLI BACTERIOPHAGE HK620 IN COMPLEX WITH HEXASACCHARIDE | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Mueller, J.J, Barbirz, S, Uetrecht, C, Seckler, R, Heinemann, U. | Deposit date: | 2007-12-11 | Release date: | 2008-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal Structure of Escherichia Coli Phage Hk620 Tailspike: Podoviral Tailspike Endoglycosidase Modules are Evolutionarily Related. Mol.Microbiol., 69, 2008
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2VJI
| Tailspike protein of E.coli bacteriophage HK620 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, ... | Authors: | Mueller, J.J, Barbirz, S, Uetrecht, C, Seckler, R, Heinemann, U. | Deposit date: | 2007-12-11 | Release date: | 2008-07-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal Structure of Escherichia Coli Phage Hk620 Tailspike: Podoviral Tailspike Endoglycosidase Modules are Evolutionarily Related. Mol.Microbiol., 69, 2008
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