7Q3V
 
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5OQ1
 | | Crystal structure of Serratia marcescens ChiX (used as MR model for superior PDB 5OPZ) | | Descriptor: | CHLORIDE ION, ChiX, ZINC ION | | Authors: | Owen, R.A, Fyfe, P.K, Lodge, A, Biboy, J, Vollmer, W, Hunter, W.N, Sargent, F. | | Deposit date: | 2017-08-10 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Structure and activity of ChiX: a peptidoglycan hydrolase required for chitinase secretion by Serratia marcescens.
Biochem. J., 475, 2018
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2Z26
 | | Thr110Ala dihydroorotase from E. coli | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, MALONATE ION, ... | | Authors: | Lee, M, Maher, M.J, Guss, J.M. | | Deposit date: | 2007-05-17 | | Release date: | 2007-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
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2Z28
 | | Thr109Val dihydroorotase from E. coli | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | | Authors: | Lee, M, Maher, M.J, Guss, J.M. | | Deposit date: | 2007-05-17 | | Release date: | 2007-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
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2Z24
 | | Thr110Ser dihydroorotase from E. coli | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | | Authors: | Lee, M, Maher, M.J, Guss, J.M. | | Deposit date: | 2007-05-17 | | Release date: | 2007-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
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2Z2B
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2Z25
 | | Thr110Val dihydroorotase from E. coli | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | | Authors: | Lee, M, Maher, M.J, Guss, J.M. | | Deposit date: | 2007-05-17 | | Release date: | 2007-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
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2Z27
 | | Thr109Ser dihydroorotase from E. coli | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | | Authors: | Lee, M, Maher, M.J, Guss, J.M. | | Deposit date: | 2007-05-17 | | Release date: | 2007-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
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2Z2A
 | | Thr109Gly dihydroorotase from E. coli | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | | Authors: | Lee, M, Maher, M.J, Guss, J.M. | | Deposit date: | 2007-05-17 | | Release date: | 2007-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
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2Z29
 | | Thr109Ala dihydroorotase from E. coli | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | | Authors: | Lee, M, Maher, M.J, Guss, J.M. | | Deposit date: | 2007-05-17 | | Release date: | 2007-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
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5JK4
 | | Phosphate-Binding Protein from Stenotrophomonas maltophilia. | | Descriptor: | Alkaline phosphatase, PHOSPHATE ION | | Authors: | Keegan, R, Waterman, D, Hopper, D, Coates, L, Guo, J, Coker, A.R, Erskine, P.T, Wood, S.P, Cooper, J.B. | | Deposit date: | 2016-04-25 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The 1.1 angstrom resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank.
Acta Crystallogr D Struct Biol, 72, 2016
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5JPM
 | | Structure of the complex of human complement C4 with MASP-2 rebuilt using iMDFF | | Descriptor: | Complement C4-A, Mannan-binding lectin serine protease 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Croll, T.I, Andersen, G.R. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
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7D2B
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with a Ni ion bound to the active site | | Descriptor: | Glutaminyl-peptide cyclotransferase, NICKEL (II) ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-16 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D1N
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cu ions bound to the active site | | Descriptor: | BICARBONATE ION, COPPER (II) ION, Glutaminyl-peptide cyclotransferase | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-15 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D2I
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with a Fe ion bound to the active site | | Descriptor: | FE (III) ION, Glutaminyl-peptide cyclotransferase, SULFATE ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-16 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D23
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with one K ion bound to the active site | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutaminyl-peptide cyclotransferase, POTASSIUM ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-15 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D1Y
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with two Co ions bound to the active site | | Descriptor: | COBALT (II) ION, Glutaminyl-peptide cyclotransferase | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-15 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D2J
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with a Cd ion bound to the active site | | Descriptor: | BICARBONATE ION, CADMIUM ION, Glutaminyl-peptide cyclotransferase | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-16 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D1P
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cd ions bound to the active site | | Descriptor: | BICARBONATE ION, CADMIUM ION, Glutaminyl-peptide cyclotransferase | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-15 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D21
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with two Zn ions bound to the active site | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glutaminyl-peptide cyclotransferase, ZINC ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-15 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D2D
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with a Mn ion bound to the active site | | Descriptor: | Glutaminyl-peptide cyclotransferase, MANGANESE (II) ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-16 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D1H
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with D238A mutation | | Descriptor: | Glutaminyl-peptide cyclotransferase, ZINC ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-14 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7RHO
 | | Human IgG1 Fc fragment, hinge-free, expressed in E. coli | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fc fragment of human IgG1 | | Authors: | Gallagher, D.T. | | Deposit date: | 2021-07-18 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Effects of glycans and hinge on dynamics in the IgG1 Fc.
J.Biomol.Struct.Dyn., 2023
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8PJ0
 | | Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Georgiou, C, Brenk, R, Espeland, L.O. | | Deposit date: | 2023-06-22 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
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5LIT
 | | Structure of the DNA duplex d(AAATTT)2 with the potential antiparasitic drug 6XV at 1.25 A resolution | | Descriptor: | 4-((4,5-dihydro-1H-imidazol-2-yl)amino)-N-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride, DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION | | Authors: | Millan, C.R, Dardonville, C, de Koning, H.P, Saperas, N, Lourdes Campos, J. | | Deposit date: | 2016-07-15 | | Release date: | 2017-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast.
Nucleic Acids Res., 45, 2017
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