1RF2
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![BU of 1rf2 by Molmil](/molmil-images/mine/1rf2) | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4 | Descriptor: | 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ... | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | Deposit date: | 2003-11-07 | Release date: | 2004-10-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
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1RD9
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![BU of 1rd9 by Molmil](/molmil-images/mine/1rd9) | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2 | Descriptor: | 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HEXAETHYLENE GLYCOL, ... | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | Deposit date: | 2003-11-05 | Release date: | 2004-10-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
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2YLR
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![BU of 2ylr by Molmil](/molmil-images/mine/2ylr) | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLACETONE MONOOXYGENASE | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
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2YII
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![BU of 2yii by Molmil](/molmil-images/mine/2yii) | Manipulating the regioselectivity of phenylalanine aminomutase: new insights into the reaction mechanism of MIO-dependent enzymes from structure-guided directed evolution | Descriptor: | BETA-MERCAPTOETHANOL, FORMIC ACID, GLYCEROL, ... | Authors: | Wu, B, Szymanski, W, Wybenga, G.G, Heberling, M.M, Bartsch, S, Wildeman, S, Poelarends, G.J, Feringa, B.L, Dijkstra, B.W, Janssen, D.B. | Deposit date: | 2011-05-13 | Release date: | 2011-11-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Mechanism-Inspired Engineering of Phenylalanine Aminomutase for Enhanced Beta-Regioselective Asymmetric Amination of Cinnamates. Angew.Chem.Int.Ed.Engl., 51, 2012
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2YLT
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![BU of 2ylt by Molmil](/molmil-images/mine/2ylt) | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP and MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
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2AH2
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![BU of 2ah2 by Molmil](/molmil-images/mine/2ah2) | Trypanosoma cruzi trans-sialidase in complex with 2,3-difluorosialic acid (covalent intermediate) | Descriptor: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Amaya, M.F, Watts, A.G, Damager, I, Wehenkel, A, Nguyen, T, Buschiazzo, A, Paris, G, Frasch, A.C, Withers, S.G, Alzari, P.M. | Deposit date: | 2005-07-27 | Release date: | 2005-08-23 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights into the Catalytic Mechanism of Trypanosoma cruzi trans-Sialidase Structure, 12, 2004
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3MY2
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![BU of 3my2 by Molmil](/molmil-images/mine/3my2) | |
3KTN
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![BU of 3ktn by Molmil](/molmil-images/mine/3ktn) | |
3NDZ
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![BU of 3ndz by Molmil](/molmil-images/mine/3ndz) | |
2B6N
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![BU of 2b6n by Molmil](/molmil-images/mine/2b6n) | The 1.8 A crystal structure of a Proteinase K like enzyme from a psychrotroph Serratia species | Descriptor: | CALCIUM ION, SULFATE ION, TRIPEPTIDE, ... | Authors: | Helland, R, Larsen, A.N, Smalas, A.O, Willassen, N.P. | Deposit date: | 2005-10-03 | Release date: | 2006-03-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The 1.8 A crystal structure of a proteinase K-like enzyme from a psychrotroph Serratia species Febs J., 273, 2006
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2B9V
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![BU of 2b9v by Molmil](/molmil-images/mine/2b9v) | Acetobacter turbidans alpha-amino acid ester hydrolase | Descriptor: | Alpha-amino acid ester hydrolase | Authors: | Barends, T.R.M. | Deposit date: | 2005-10-13 | Release date: | 2005-12-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acetobacter turbidans alpha-amino acid ester hydrolase: how a single mutation improves an antibiotic-producing enzyme. J.Biol.Chem., 281, 2006
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1RCV
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![BU of 1rcv by Molmil](/molmil-images/mine/1rcv) | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1 | Descriptor: | [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE, cholera toxin B protein (CTB) | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | Deposit date: | 2003-11-04 | Release date: | 2004-10-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
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2B4K
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![BU of 2b4k by Molmil](/molmil-images/mine/2b4k) | Acetobacter turbidans alpha-amino acid ester hydrolase complexed with phenylglycine | Descriptor: | Alpha-amino acid ester hydrolase, D-PHENYLGLYCINE, GLYCEROL | Authors: | Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Williams, C, Wybenga, G, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2005-09-26 | Release date: | 2005-12-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Acetobacter turbidans alpha-amino acid ester hydrolase: how a single mutation improves an antibiotic-producing enzyme. J.Biol.Chem., 281, 2006
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2E3Z
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![BU of 2e3z by Molmil](/molmil-images/mine/2e3z) | Crystal structure of intracellular family 1 beta-glucosidase BGL1A from the basidiomycete Phanerochaete chrysosporium in substrate-free form | Descriptor: | Beta-glucosidase | Authors: | Nijikken, Y, Tsukada, T, Igarashi, K, Samejima, M, Fushinobu, S. | Deposit date: | 2006-12-01 | Release date: | 2007-03-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of intracellular family 1 beta-glucosidase BGL1A from the basidiomycete Phanerochaete chrysosporium Febs Lett., 581, 2007
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22GS
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![BU of 22gs by Molmil](/molmil-images/mine/22gs) | HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y49F MUTANT | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1 | Authors: | Oakley, A.J. | Deposit date: | 1998-03-10 | Release date: | 1999-03-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Thermodynamic description of the effect of the mutation Y49F on human glutathione transferase P1-1 in binding with glutathione and the inhibitor S-hexylglutathione. J.Biol.Chem., 278, 2003
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3B69
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![BU of 3b69 by Molmil](/molmil-images/mine/3b69) | T cruzi Trans-sialidase complex with benzoylated NANA derivative | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CHLORIDE ION, ... | Authors: | Buschiazzo, A. | Deposit date: | 2007-10-28 | Release date: | 2008-05-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A new generation of specific Trypanosoma cruzi trans-sialidase inhibitors. Angew.Chem.Int.Ed.Engl., 47, 2008
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3N9J
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![BU of 3n9j by Molmil](/molmil-images/mine/3n9j) | |
3KD6
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![BU of 3kd6 by Molmil](/molmil-images/mine/3kd6) | |
2AGS
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![BU of 2ags by Molmil](/molmil-images/mine/2ags) | Trypanosoma rangeli Sialidase in Complex with 2-Keto-3-deoxy-D-glycero-D-galacto-2,3-difluoro-nononic acid (2,3-difluoro-KDN) | Descriptor: | 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, SULFATE ION, sialidase | Authors: | Amaya, M.F, Alzari, P.M, Buschiazzo, A. | Deposit date: | 2005-07-27 | Release date: | 2005-11-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Kinetic Analysis of Two Covalent Sialosyl-Enzyme Intermediates on Trypanosoma rangeli Sialidase. J.Biol.Chem., 281, 2006
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2YLX
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![BU of 2ylx by Molmil](/molmil-images/mine/2ylx) | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Asp66Ala MUTANT IN COMPLEX WITH NADP AND MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
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2A75
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![BU of 2a75 by Molmil](/molmil-images/mine/2a75) | Trypanosoma rangeli Sialidase In Complex With 2,3- Difluorosialic Acid (Covalent Intermediate) | Descriptor: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, SULFATE ION, sialidase | Authors: | Amaya, M.F, Alzari, P.M, Buschiazzo, A. | Deposit date: | 2005-07-04 | Release date: | 2005-11-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and Kinetic Analysis of Two Covalent Sialosyl-Enzyme Intermediates on Trypanosoma rangeli Sialidase. J.Biol.Chem., 281, 2006
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3NDY
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![BU of 3ndy by Molmil](/molmil-images/mine/3ndy) | |
3NYC
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![BU of 3nyc by Molmil](/molmil-images/mine/3nyc) | Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase | Descriptor: | (2E)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid, D-Arginine Dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Fu, G, Weber, I.T. | Deposit date: | 2010-07-14 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Conformational changes and substrate recognition in Pseudomonas aeruginosa D-arginine dehydrogenase. Biochemistry, 49, 2010
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1UWG
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![BU of 1uwg by Molmil](/molmil-images/mine/1uwg) | |
2B2X
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![BU of 2b2x by Molmil](/molmil-images/mine/2b2x) | VLA1 RdeltaH I-domain complexed with a quadruple mutant of the AQC2 Fab | Descriptor: | Antibody AQC2 Fab, Integrin alpha-1, MAGNESIUM ION | Authors: | Clark, L.A, Boriack-Sjodin, P.A, Eldredge, J, Fitch, C, Friedman, B, Hanf, K.J, Jarpe, M, Liparoto, S.F, Li, Y, Lugovskoy, A. | Deposit date: | 2005-09-19 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Affinity enhancement of an in vivo matured therapeutic antibody using structure-based computational design Protein Sci., 15, 2006
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