7CUU
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132 | Descriptor: | 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F. | Deposit date: | 2020-08-24 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro . Signal Transduct Target Ther, 6, 2021
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7CUT
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with Z-VAD-FMK | Descriptor: | 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F. | Deposit date: | 2020-08-24 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro . Signal Transduct Target Ther, 6, 2021
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7DNC
| Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-09 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2. J.Med.Chem., 65, 2022
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7DC6
| Giant panda MHC class I complexes | Descriptor: | Beta-2-microglobulin, CCV-NGY9 peptide from Spike protein, MHC class I antigen | Authors: | Yuan, H, Xia, C. | Deposit date: | 2020-10-23 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal structure of the giant panda MHC class I complex: First insights into the viral peptide presentation profile in the bear family. Protein Sci., 29, 2020
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7D64
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8G89
| HSD17B13 in complex with cofactor and inhibitor | Descriptor: | 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Liu, S. | Deposit date: | 2023-02-17 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.222 Å) | Cite: | Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13. Nat Commun, 14, 2023
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8G84
| Crystal structures of HSD17B13 complexes | Descriptor: | Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Liu, S. | Deposit date: | 2023-02-17 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.467 Å) | Cite: | Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13. Nat Commun, 14, 2023
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8H0L
| Sulfur binding domain of Hga complexed with phosphorothioated DNA | Descriptor: | DNA (5'-D(*CP*GP*AP*GP*(PST)P*TP*CP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*GP*AP*AP*CP*TP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Liu, G, He, X, Hu, W, Yang, B, Xiao, Q. | Deposit date: | 2022-09-29 | Release date: | 2023-09-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of a promiscuous DNA sulfur binding domain and application in site-directed RNA base editing. Nucleic Acids Res., 51, 2023
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8I99
| N-carbamoyl-D-amino-acid hydrolase mutant - M4Th3 | Descriptor: | N-carbamoyl-D-amino-acid hydrolase | Authors: | Hu, J.M, Ni, Y, Xu, G.C. | Deposit date: | 2023-02-06 | Release date: | 2023-03-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Engineering the Thermostability of a d-Carbamoylase Based on Ancestral Sequence Reconstruction for the Efficient Synthesis of d-Tryptophan. J.Agric.Food Chem., 71, 2023
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8IBI
| Inactive mutant of CtPL-H210S/F214I | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Li, X, Shi, B.L, Zeng, Z.Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-10 | Release date: | 2023-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Functional tailoring of a PET hydrolytic enzyme expressed in Pichia pastoris. Bioresour Bioprocess, 10, 2023
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8IBJ
| Inactive mutant of CtPL-H210S/F214I/N181A/F235L | Descriptor: | PET hydrolase | Authors: | Li, X, Shi, B.L, Zeng, Z.Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-10 | Release date: | 2023-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Functional tailoring of a PET hydrolytic enzyme expressed in Pichia pastoris. Bioresour Bioprocess, 10, 2023
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8IAN
| Crystal structure of CtPL-H210S/F214I mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PET hydrolase | Authors: | Li, X, Shi, B.L, Zeng, Z.Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-08 | Release date: | 2023-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Functional tailoring of a PET hydrolytic enzyme expressed in Pichia pastoris. Bioresour Bioprocess, 10, 2023
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8JMP
| Structure of a leaf-branch compost cutinase, ICCG in complex with 1,4-butanediol terephthalate | Descriptor: | 4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid, CALCIUM ION, Leaf-branch compost cutinase | Authors: | Yang, Y, Xue, T, Zheng, Y, Cheng, S, Guo, R.-T, Chen, C.-C. | Deposit date: | 2023-06-05 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Remodeling the polymer-binding cavity to improve the efficacy of PBAT-degrading enzyme. J Hazard Mater, 464, 2023
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8JMO
| Structure of a leaf-branch compost cutinase, ICCG in complex with 4-((4-Hydroxybutoxy)carbonyl)benzoic acid | Descriptor: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid, CALCIUM ION, Leaf-branch compost cutinase | Authors: | Yang, Y, Xue, T, Zheng, Y, Cheng, S, Guo, R.-T, Chen, C.-C. | Deposit date: | 2023-06-05 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Remodeling the polymer-binding cavity to improve the efficacy of PBAT-degrading enzyme. J Hazard Mater, 464, 2023
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7VBN
| Matrix arm of deactive state CI from DQ-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-31 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7VBP
| Membrane arm of deactive state CI from DQ-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-09-01 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7VWL
| Membrane arm of deactive state CI from rotenone-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-11-11 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7VBZ
| Matrix arm of active state CI from Rotenone-NADH dataset | Descriptor: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-09-01 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7VWJ
| Matrix arm of deactive state CI from rotenone-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-11-10 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7VC0
| Membrane arm of active state CI from Rotenone-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-09-01 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7WKU
| Structure of PDCoV Mpro in complex with an inhibitor | Descriptor: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Peptidase C30 | Authors: | Wang, F.H, Yang, H.T. | Deposit date: | 2022-01-11 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Structure of the Porcine Deltacoronavirus Main Protease Reveals a Conserved Target for the Design of Antivirals. Viruses, 14, 2022
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7V2R
| Active state complex I from Q1-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-09 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7V2E
| Active state complex I from Q10-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-08 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7V2D
| Deactive state complex I from Q10 dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-08 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7V2K
| Deactive state complex I from DQ-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-09 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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