6B89
| E. coli LptB in complex with ADP and novobiocin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION, ... | Authors: | May, J.M, Lazarus, M.B, Sherman, D.J, Owens, T.W, Mandler, M.D, Kahne, D.K. | Deposit date: | 2017-10-05 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport. J. Am. Chem. Soc., 139, 2017
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6TWW
| Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | Descriptor: | ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ... | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | Deposit date: | 2020-01-13 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
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5T03
| Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and glucuronic acid containing hexasaccharide substrate | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ... | Authors: | Pedersen, L.C, Moon, A.F, Krahn, J.M, Liu, J. | Deposit date: | 2016-08-15 | Release date: | 2017-02-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases. ACS Chem. Biol., 12, 2017
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6AX7
| The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus | Descriptor: | FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase | Authors: | Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M. | Deposit date: | 2017-09-06 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding. Nat Commun, 9, 2018
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6U8N
| Human IMPDH2 treated with ATP, IMP, and NAD+. Fully extended filament segment reconstruction. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | Authors: | Johnson, M.C, Kollman, J.M. | Deposit date: | 2019-09-05 | Release date: | 2020-03-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation. Elife, 9, 2020
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6TXD
| Variant W229D/F290W-12 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | Descriptor: | ACETATE ION, Beta lactamase (GNCA4-12), FORMIC ACID, ... | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | Deposit date: | 2020-01-14 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
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6U7H
| Cryo-EM structure of the HCoV-229E spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, Z, Benlekbir, S, Rubinstein, J.L, Rini, J.M. | Deposit date: | 2019-09-02 | Release date: | 2019-11-13 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The human coronavirus HCoV-229E S-protein structure and receptor binding. Elife, 8, 2019
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6ATK
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5SV6
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6UE0
| Crystal structure of dihydrodipicolinate synthase from Klebsiella pneumoniae bound to pyruvate | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, SULFATE ION | Authors: | Impey, R.E, Lee, M, Hawkins, D.A, Sutton, J.M, Panjikar, S, Perugini, M.A, Soares da Costa, T.P. | Deposit date: | 2019-09-20 | Release date: | 2020-02-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Mis-annotations of a promising antibiotic target in high-priority gram-negative pathogens. Febs Lett., 594, 2020
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6B8B
| E. coli LptB in complex with ADP and a novobiocin derivative | Descriptor: | (3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, ... | Authors: | Mandler, M.D, Owens, T.W, Lazarus, M.B, May, J.M, Kahne, D.K. | Deposit date: | 2017-10-06 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport. J. Am. Chem. Soc., 139, 2017
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5T05
| Crystal structure of heparan sulfate 6-O-sulfotransferase with bound PAP and IdoA2S containing hexasaccharide substrate | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ... | Authors: | Pedersen, L.C, Moon, A.F, krahn, J.M, Liu, J. | Deposit date: | 2016-08-15 | Release date: | 2017-02-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Structure Based Substrate Specificity Analysis of Heparan Sulfate 6-O-Sulfotransferases. ACS Chem. Biol., 12, 2017
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6UDQ
| Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Fully compressed filament end reconstruction. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | Authors: | Johnson, M.C, Kollman, J.M. | Deposit date: | 2019-09-19 | Release date: | 2020-03-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation. Elife, 9, 2020
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6U0X
| Crystal structure of Staphylococcal nuclease variant Delta+PHS Q123D at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G. | Deposit date: | 2019-08-15 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Toward the computational design of protein crystals with improved resolution. Acta Crystallogr D Struct Biol, 75, 2019
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6AX6
| The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus | Descriptor: | FE (II) ION, IODIDE ION, Procollagen lysyl hydroxylase and glycosyltransferase | Authors: | Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M. | Deposit date: | 2017-09-06 | Release date: | 2018-02-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.241 Å) | Cite: | Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding. Nat Commun, 9, 2018
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6U1V
| Crystal structure of acyl-ACP/acyl-CoA dehydrogenase from allylmalonyl-CoA and FK506 biosynthesis, TcsD | Descriptor: | Acyl-CoA dehydrogenase domain-containing protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE | Authors: | Blake-Hedges, J.M, Pereira, J.H, Barajas, J.F, Adams, P.D, Keasling, J.D. | Deposit date: | 2019-08-16 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Mechanism of Regioselectivity in an Unusual Bacterial Acyl-CoA Dehydrogenase. J.Am.Chem.Soc., 142, 2020
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6ULU
| D104A/S128A S. typhimurium siroheme synthase | Descriptor: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase | Authors: | Pennington, J.M, Stroupe, M.E. | Deposit date: | 2019-10-08 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site. Nat Commun, 11, 2020
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5O5M
| Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp117 | Descriptor: | CHLORIDE ION, RKp120, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ... | Authors: | Mueller, J.M, Heine, A, Klebe, G. | Deposit date: | 2017-06-02 | Release date: | 2018-06-13 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.583 Å) | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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6UDO
| Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Fully compressed filament segment reconstruction. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | Authors: | Johnson, M.C, Kollman, J.M. | Deposit date: | 2019-09-19 | Release date: | 2020-03-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation. Elife, 9, 2020
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5O9K
| Crystal structure of Murine Histmaine-Releasing Factor (HRF/TCTP) | Descriptor: | GLYCEROL, Translationally-controlled tumor protein | Authors: | Dore, K.A, Kashiwakura, J, McDonnell, J.M, Gould, H.J, Kawakami, T, Sutton, B.J, Davies, A.M. | Deposit date: | 2017-06-19 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.014 Å) | Cite: | Crystal structures of murine and human Histamine-Releasing Factor (HRF/TCTP) and a model for HRF dimerisation in mast cell activation. Mol. Immunol., 93, 2017
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6U7E
| HCoV-229E RBD Class III in complex with human APN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ... | Authors: | Tomlinson, A.C.A, Li, Z, Rini, J.M. | Deposit date: | 2019-09-02 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The human coronavirus HCoV-229E S-protein structure and receptor binding. Elife, 8, 2019
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5T95
| Prephenate Dehydrogenase M219T, N222D mutant from Soybean | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prephenate dehydrogenase 1, TYROSINE | Authors: | Holland, C.K, Jez, J.M. | Deposit date: | 2016-09-09 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.689 Å) | Cite: | Molecular basis of the evolution of alternative tyrosine biosynthetic routes in plants. Nat. Chem. Biol., 13, 2017
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5T9E
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6U8E
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5OIY
| Structure of the HMPV P oligomerization domain at 2.2 A | Descriptor: | Phosphoprotein | Authors: | Renner, M, Paesen, G.C, Grison, C.M, Granier, S, Grimes, J.M, Leyrat, C. | Deposit date: | 2017-07-19 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural dissection of human metapneumovirus phosphoprotein using small angle x-ray scattering. Sci Rep, 7, 2017
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