4RKY
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![BU of 4rky by Molmil](/molmil-images/mine/4rky) | Crystal structure of DJ-1 isoform X1 | Descriptor: | Protein DJ-1 | Authors: | Liddington, R.C. | Deposit date: | 2014-10-14 | Release date: | 2015-08-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Transnitrosylation from DJ-1 to PTEN attenuates neuronal cell death in parkinson's disease models. J.Neurosci., 34, 2014
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7E3K
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![BU of 7e3k by Molmil](/molmil-images/mine/7e3k) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | Descriptor: | 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | Deposit date: | 2021-02-09 | Release date: | 2021-09-15 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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7E3L
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![BU of 7e3l by Molmil](/molmil-images/mine/7e3l) | Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ... | Authors: | Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H. | Deposit date: | 2021-02-09 | Release date: | 2021-09-15 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants. Nat Commun, 12, 2021
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6IFE
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![BU of 6ife by Molmil](/molmil-images/mine/6ife) | A Glycoside Hydrolase Family 43 beta-Xylosidase | Descriptor: | Beta-xylosidase, GLYCEROL | Authors: | Li, N, Liu, Y, Zhang, R, Zhou, J.P, Huang, Z.X. | Deposit date: | 2018-09-20 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Biochemical and structural properties of a low-temperature-active glycoside hydrolase family 43 beta-xylosidase: Activity and instability at high neutral salt concentrations. Food Chem, 301, 2019
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6I8C
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![BU of 6i8c by Molmil](/molmil-images/mine/6i8c) | Crystal structure of the murine beta-2-microglobulin. | Descriptor: | Beta-2-microglobulin, TRIETHYLENE GLYCOL | Authors: | Achour, A, Sandalova, T, Ricagno, S, Sun, R. | Deposit date: | 2018-11-20 | Release date: | 2019-10-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Biochemical and biophysical comparison of human and mouse beta-2 microglobulin reveals the molecular determinants of low amyloid propensity. Febs J., 287, 2020
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5ZHE
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![BU of 5zhe by Molmil](/molmil-images/mine/5zhe) | STRUCTURE OF E. COLI UNDECAPRENYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-981 | Descriptor: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | Authors: | Gao, J, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2018-03-13 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
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6ABR
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![BU of 6abr by Molmil](/molmil-images/mine/6abr) | Actin interacting protein 5 (Aip5, wild type) | Descriptor: | Actin binding protein | Authors: | Sun, J, Xie, Y, Toh, J.D.W, Hong, W, MIao, Y, Gao, Y.G. | Deposit date: | 2018-07-23 | Release date: | 2019-11-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Polarisome scaffolder Spa2-mediated macromolecular condensation of Aip5 for actin polymerization. Nat Commun, 10, 2019
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8I5Z
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![BU of 8i5z by Molmil](/molmil-images/mine/8i5z) | |
7DWC
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![BU of 7dwc by Molmil](/molmil-images/mine/7dwc) | Bacteroides thetaiotaomicron VPI5482 BTAxe1 | Descriptor: | Xylanase | Authors: | Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C. | Deposit date: | 2021-01-17 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron. J.Agric.Food Chem., 69, 2021
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7W1N
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![BU of 7w1n by Molmil](/molmil-images/mine/7w1n) | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP | Descriptor: | 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-19 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7W45
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![BU of 7w45 by Molmil](/molmil-images/mine/7w45) | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP | Descriptor: | CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7W44
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![BU of 7w44 by Molmil](/molmil-images/mine/7w44) | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7VVC
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![BU of 7vvc by Molmil](/molmil-images/mine/7vvc) | Crystal structure of inactive mutant of leaf-branch compost cutinase variant | Descriptor: | ACETATE ION, ACETIC ACID, CALCIUM ION, ... | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-05 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7VVE
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![BU of 7vve by Molmil](/molmil-images/mine/7vve) | Complex structure of a leaf-branch compost cutinase variant in complex with mono(2-hydroxyethyl) terephthalic acid | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, ... | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-05 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7V6F
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![BU of 7v6f by Molmil](/molmil-images/mine/7v6f) | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P | Descriptor: | Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION | Authors: | Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J. | Deposit date: | 2021-08-20 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J.Med.Chem., 65, 2022
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7WKU
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![BU of 7wku by Molmil](/molmil-images/mine/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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7XL5
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![BU of 7xl5 by Molmil](/molmil-images/mine/7xl5) | Crystal structure of the H42T/A85G/I86A mutant of a nadp-dependent alcohol dehydrogenase | Descriptor: | NADP-dependent isopropanol dehydrogenase | Authors: | Jiang, Y.Y, Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D. | Deposit date: | 2022-04-21 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Engineering the hydrogen transfer pathway of an alcohol dehydrogenase to increase activity by rational enzyme design Mol Catal, 530, 2022
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7VWD
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![BU of 7vwd by Molmil](/molmil-images/mine/7vwd) | Crystal Structure of the Y53F/N55A mutant of LEH | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D. | Deposit date: | 2021-11-10 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles. Nat Commun, 13, 2022
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7VX2
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![BU of 7vx2 by Molmil](/molmil-images/mine/7vx2) | Crystal Structure of the Y53F/N55A/I80F/L114V/I116V mutant of LEH | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D. | Deposit date: | 2021-11-12 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.485 Å) | Cite: | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles. Nat Commun, 13, 2022
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7VWM
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![BU of 7vwm by Molmil](/molmil-images/mine/7vwm) | Crystal Structure of the Y53F/N55A/I116V mutant of LEH | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D. | Deposit date: | 2021-11-11 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles. Nat Commun, 13, 2022
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7V6G
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![BU of 7v6g by Molmil](/molmil-images/mine/7v6g) | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase mutation C157S with CN39 | Descriptor: | 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION, ... | Authors: | Cao, H, Huang, Y, Chen, H, Wan, C, Ren, Y, Wan, J. | Deposit date: | 2021-08-20 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.343 Å) | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J.Med.Chem., 65, 2022
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7XVJ
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![BU of 7xvj by Molmil](/molmil-images/mine/7xvj) | Crystal structure of CdpNPT in complex with harmol | Descriptor: | 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION | Authors: | Nakashima, Y, Morita, H. | Deposit date: | 2022-05-24 | Release date: | 2023-04-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Enzymatic formation of a prenyl beta-carboline by a fungal indole prenyltransferase. J Nat Med, 76, 2022
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7Y3V
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![BU of 7y3v by Molmil](/molmil-images/mine/7y3v) | Crystal structure of CdpNPT in complex with harmane | Descriptor: | 1-methyl-9H-pyrido[3,4-b]indole, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION | Authors: | Nakashima, Y, Morita, H. | Deposit date: | 2022-06-13 | Release date: | 2023-04-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Catalytic potential of a fungal indole prenyltransferase toward beta-carbolines, harmine and harman, and their prenylation effects on antibacterial activity. J.Biosci.Bioeng., 134, 2022
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8IOZ
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![BU of 8ioz by Molmil](/molmil-images/mine/8ioz) | Crystal structure of transaminase | Descriptor: | Branched chain amino acid: 2-keto-4-methylthiobutyrate aminotransferase | Authors: | Li, Q, Zhu, Y.M, Gao, J, Wei, H.L, Han, X, Liu, W.D, Sun, Y.X. | Deposit date: | 2023-03-13 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | structure of aminotransferase To Be Published
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8ISC
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![BU of 8isc by Molmil](/molmil-images/mine/8isc) | Crystal structure of MV in complex with LLP | Descriptor: | Branched chain amino acid: 2-keto-4-methylthiobutyrate aminotransferase | Authors: | Li, Q, Zhu, Y.M, Gao, J, Wei, H.L, Han, X, Liu, W.D, Sun, Y.X. | Deposit date: | 2023-03-20 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of MV in complex with LLP To Be Published
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