7OQ1
 
 | | NaK S-ELM mutant with Na+ and K+ | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | | Authors: | Minniberger, S, Plested, A.J.R. | | Deposit date: | 2021-06-02 | | Release date: | 2022-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
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7ZIE
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7ZFR
 | | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ... | | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | | Deposit date: | 2022-04-01 | | Release date: | 2023-04-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
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6ZEX
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF5
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZEZ
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6Z2H
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8AZC
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8B22
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8B23
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8B24
 | | Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 3600-seconds post reaction initiation with Na+ | | Descriptor: | DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, ... | | Authors: | Strauss, J, Vidilaseris, K, Goldman, A. | | Deposit date: | 2022-09-12 | | Release date: | 2024-01-17 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (4.53 Å) | | Cite: | Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
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8CEM
 | | Structure of bovine native C3, re-refinement | | Descriptor: | Complement C3 alpha chain, Complement C3 beta chain, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Andersen, G.R, Fredslund, F. | | Deposit date: | 2023-02-02 | | Release date: | 2023-04-05 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The structure of bovine complement component 3 reveals the basis for thioester function.
J.Mol.Biol., 361, 2006
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8C3O
 | | Crystal structure of autotaxin gamma and compound MEY-003 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | | Authors: | Eymery, M.C, McCarthy, A.A. | | Deposit date: | 2022-12-27 | | Release date: | 2023-11-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
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8D86
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence co-crystallized with a guest small molecule, netropsin. | | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ... | | Authors: | Orun, A.R, Snow, C.D. | | Deposit date: | 2022-06-07 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
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8D8M
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7AYG
 | | oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ... | | Authors: | Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J. | | Deposit date: | 2020-11-12 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
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7B2E
 | | quadruple mutant of oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ... | | Authors: | Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J. | | Deposit date: | 2020-11-26 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
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7ABB
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7AM1
 | | Structure of yeast Ssd1, a pseudonuclease | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, Protein SSD1 | | Authors: | Cook, A.G, Jayachandran, U. | | Deposit date: | 2020-10-07 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Yeast Ssd1 is a non-enzymatic member of the RNase II family with an alternative RNA recognition site.
Nucleic Acids Res., 50, 2022
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7A1A
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7U7O
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional T-A rich sequence. | | Descriptor: | DNA (5'-D(A*TP*AP*AP*TP*TP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*TP*AP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*AP*AP*T)-3'), MAGNESIUM ION, ... | | Authors: | Ward, A.R, Snow, C.D. | | Deposit date: | 2022-03-07 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
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7UFX
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional G-C rich sequence, respectively. | | Descriptor: | DNA (5'-D(A*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(A*GP*TP*CP*CP*GP*GP*GP*CP*CP*G)-3'), ... | | Authors: | Ward, A.R, Shields, E.T, Snow, C.D. | | Deposit date: | 2022-03-23 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
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7UR0
 | | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional T-A rich sequence, respectively. | | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*TP*AP*AP*TP*T)-3'), DNA (5'-D(A*GP*TP*AP*AP*TP*TP*AP*CP*CP*G)-3'), ... | | Authors: | Orun, A.R, Snow, C.D. | | Deposit date: | 2022-04-20 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
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8TSX
 | | Pseudomonas fluorescens G150T isocyanide hydratase at 100 K | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2023-08-12 | | Release date: | 2023-09-20 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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8TT5
 | | Pseudomonas fluorescens isocyanide hydratase pH=8.3 | | Descriptor: | 1,2-ETHANEDIOL, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2023-08-12 | | Release date: | 2023-09-20 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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