8D31
| [AG/TC] Self-Assembled 3D DNA Cubic Tensegrity Triangle with 24 bp Arm Length | Descriptor: | DNA (5'-D(*AP*GP*GP*CP*CP*TP*AP*CP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*AP*GP*GP*CP*CP*TP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*TP*CP*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R. | Deposit date: | 2022-05-31 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (7.45 Å) | Cite: | Highly Symmetric, Self-Assembling 3D DNA Crystals with Cubic and Trigonal Lattices. Small, 19, 2023
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8DZ0
| Crystal Structure of SARS-CoV-2 Main protease in complex with Ensitrelvir | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, DIMETHYL SULFOXIDE | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-06 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8DZA
| Crystal Structure of SARS-CoV-2 Main protease A193T mutant in complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-06 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8DZ1
| Crystal Structure of SARS-CoV-2 Main protease mutant M49I in complex with Ensitrelvir | Descriptor: | 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-06 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8DZ6
| Crystal Structure of SARS-CoV-2 Main protease mutant Q189K in complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-06 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.366 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8DZ2
| Crystal Structure of SARS-CoV-2 Main protease in complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-06 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.129 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8E26
| Crystal Structure of SARS-CoV-2 Main Protease N142S mutant in complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Noske, G.D, Godoy, A.S, Oliva, G. | Deposit date: | 2022-08-14 | Release date: | 2022-10-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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8DRM
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8DRJ
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8DRD
| Ni(II)-bound B2 dimer (H60/H100/H104) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, HEME C, NICKEL (II) ION, ... | Authors: | Choi, T.S, Tezcan, F.A. | Deposit date: | 2022-07-20 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior. J.Am.Chem.Soc., 144, 2022
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8DRL
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8DRF
| Zn(II)-bound B2 dimer (H60/H100/H104) | Descriptor: | HEME C, Soluble cytochrome b562, ZINC ION | Authors: | Choi, T.S, Tezcan, F.A. | Deposit date: | 2022-07-20 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior. J.Am.Chem.Soc., 144, 2022
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7QSF
| Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-12 (G206C, R207T, D210A, S211A) | Descriptor: | CHLORIDE ION, Isoaspartyl peptidase, Isoaspartyl peptidase subunit beta, ... | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | Deposit date: | 2022-01-13 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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7QTC
| Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-3 (G206H, R207T, D210P, S211Q) | Descriptor: | Isoaspartyl peptidase, Isoaspartyl peptidase subunit beta, SODIUM ION | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | Deposit date: | 2022-01-14 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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8E25
| Crystal Structure of SARS-CoV-2 Main Protease M49I mutant in complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab | Authors: | Noske, G.D, Godoy, A.S, Oliva, G. | Deposit date: | 2022-08-14 | Release date: | 2022-10-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.868 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
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7QVR
| Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-37 (G206S, R207T, D210S) | Descriptor: | Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ... | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | Deposit date: | 2022-01-23 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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7QY6
| Structure of E.coli Class 2 L-asparaginase EcAIII, wild type (WT EcAIII) | Descriptor: | Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ... | Authors: | Loch, J.I, Klonecka, A, Kadziolka, K, Bonarek, P, Barciszewski, J, Imiolczyk, B, Brzezinski, K, Jaskolski, M. | Deposit date: | 2022-01-27 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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7QVS
| Pseudomonas aeruginosa nicotinamide adenine dinucleotide kinase (NADK) structure in complex with NADP | Descriptor: | NAD kinase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION | Authors: | Rahimova, R, Gelin, M, Labesse, G, Lionne, C. | Deposit date: | 2022-01-23 | Release date: | 2022-09-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based design, synthesis and biological evaluation of a NAD + analogue targeting Pseudomonas aeruginosa NAD kinase. Febs J., 290, 2023
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5YKI
| Crystal structure of the engineered nine-repeat PUF domain in complex with cognate 9nt-RNA | Descriptor: | Pumilio homolog 1, RNA (5'-R(*UP*GP*UP*UP*GP*UP*AP*UP*A)-3') | Authors: | Zhao, Y.Y, Wang, J, Li, H.T, Wang, Z.X, Wu, J.W. | Deposit date: | 2017-10-14 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Expanding RNA binding specificity and affinity of engineered PUF domains. Nucleic Acids Res., 46, 2018
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8AIN
| MCUGI SAUNG complex | Descriptor: | 1,2-ETHANEDIOL, MCUGI, SULFATE ION, ... | Authors: | Muselmani, W, Savva, R. | Deposit date: | 2022-07-26 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase. Viruses, 15, 2023
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7QQ8
| Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-8 (G206Y, R207Q, D210P, S211T) | Descriptor: | Beta-aspartyl-peptidase, CHLORIDE ION, SODIUM ION | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | Deposit date: | 2022-01-06 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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8AIM
| Ugi-2 SAUNG complex | Descriptor: | Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor | Authors: | Muselmani, W, Savva, R. | Deposit date: | 2022-07-26 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase. Viruses, 15, 2023
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8AIL
| Bacillus phage VMY22 p56 in complex with Bacillus weidmannii Ung | Descriptor: | Bacillus phage VMY22 p56, GLYCEROL, IODIDE ION, ... | Authors: | Muselmani, W, Bagneris, C, Savva, R. | Deposit date: | 2022-07-26 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase. Viruses, 15, 2023
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7QYM
| Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-18 (R207V, D210P, S211W) | Descriptor: | Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ... | Authors: | Loch, J.I, Klonecka, A, Kadziolka, K, Bonarek, P, Barciszewski, J, Imiolczyk, B, Brzezinski, K, Jaskolski, M. | Deposit date: | 2022-01-28 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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7QYX
| Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-24 (R207A, D210S, S211T) | Descriptor: | Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ... | Authors: | Loch, J.I, Klonecka, A, Kadziolka, K, Bonarek, P, Barciszewski, J, Imiolczyk, B, Brzezinski, K, Jaskolski, M. | Deposit date: | 2022-01-29 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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