5YY8
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![BU of 5yy8 by Molmil](/molmil-images/mine/5yy8) | |
7XC4
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![BU of 7xc4 by Molmil](/molmil-images/mine/7xc4) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M) in complex with Oxaprozin | Descriptor: | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid, Papain-like protease nsp3 | Authors: | Li, J, Liu, Y, Gao, J, Ruan, K. | Deposit date: | 2022-03-22 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen. J.Med.Chem., 65, 2022
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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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6J0Z
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![BU of 6j0z by Molmil](/molmil-images/mine/6j0z) | Crystal structure of AlpK | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative angucycline-like polyketide oxygenase | Authors: | Wang, W, Liu, Y, Liang, H. | Deposit date: | 2018-12-27 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.889 Å) | Cite: | Crystal structure of AlpK: An essential monooxygenase involved in the biosynthesis of kinamycin Biochem. Biophys. Res. Commun., 510, 2019
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7DP3
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![BU of 7dp3 by Molmil](/molmil-images/mine/7dp3) | Human MCM8 N-terminal domain | Descriptor: | DNA helicase MCM8, ZINC ION | Authors: | Li, J, Liu, L, Liu, Y. | Deposit date: | 2020-12-17 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural study of the N-terminal domain of human MCM8/9 complex. Structure, 29, 2021
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7DPD
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![BU of 7dpd by Molmil](/molmil-images/mine/7dpd) | Human MCM9 N-terminal domain | Descriptor: | DNA helicase MCM9, SODIUM ION, ZINC ION | Authors: | Li, J, Liu, L, Liu, Y. | Deposit date: | 2020-12-18 | Release date: | 2021-05-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural study of the N-terminal domain of human MCM8/9 complex. Structure, 29, 2021
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7X8M
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![BU of 7x8m by Molmil](/molmil-images/mine/7x8m) | NMR Solution Structure of the 2:1 Berberine-KRAS-G4 Complex | Descriptor: | BERBERINE, DNA (24-MER) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
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7XBK
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![BU of 7xbk by Molmil](/molmil-images/mine/7xbk) | Structure and mechanism of a mitochondrial AAA+ disaggregase CLPB | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of Caseinolytic peptidase B protein homolog, MAGNESIUM ION, ... | Authors: | Wu, D, Liu, Y, Dai, Y, Wang, G, Lu, G, Chen, Y, Li, N, Lin, J, Gao, N. | Deposit date: | 2022-03-21 | Release date: | 2023-01-25 | Last modified: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Comprehensive structural characterization of the human AAA+ disaggregase CLPB in the apo- and substrate-bound states reveals a unique mode of action driven by oligomerization. Plos Biol., 21, 2023
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7X8N
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![BU of 7x8n by Molmil](/molmil-images/mine/7x8n) | NMR Solution Structure of the Wild-type Bulge-containing KRAS-G4 | Descriptor: | DNA (24-mer) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
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7X8O
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![BU of 7x8o by Molmil](/molmil-images/mine/7x8o) | NMR Solution Structure of the 2:1 Coptisine-KRAS-G4 Complex | Descriptor: | 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (24-MER) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
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7WGW
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![BU of 7wgw by Molmil](/molmil-images/mine/7wgw) | NMR Solution Structure of a cGMP Fill-in Vacancy G-quadruplex Formed in the Oxidized BLM Gene Promoter | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, DNA (20-MER) | Authors: | Wang, K.B, Liu, Y, Li, Y, Li, J, Dickerhoff, J, Yang, M.H, Yang, D, Kong, L.Y. | Deposit date: | 2021-12-29 | Release date: | 2022-05-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Oxidative Damage Induces a Vacancy G-Quadruplex That Binds Guanine Metabolites: Solution Structure of a cGMP Fill-in Vacancy G-Quadruplex in the Oxidized BLM Gene Promoter. J.Am.Chem.Soc., 144, 2022
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7WI7
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![BU of 7wi7 by Molmil](/molmil-images/mine/7wi7) | Crystal structure of human MCM8/9 complex | Descriptor: | DNA helicase MCM8, DNA helicase MCM9, ZINC ION | Authors: | Li, J, Liu, Y. | Deposit date: | 2022-01-03 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (6.6 Å) | Cite: | Crystal structure of human MCM8/9 complex To Be Published
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7DQO
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![BU of 7dqo by Molmil](/molmil-images/mine/7dqo) | Marsupenaeus japonicus ferritin mutant-D132R | Descriptor: | FE (III) ION, Ferritin | Authors: | Tan, X, Liu, Y, Zang, J, Zhang, T, Zhao, G. | Deposit date: | 2020-12-24 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Hyperthermostability of prawn ferritin nanocage facilitates its application as a robust nanovehicle for nutraceuticals. Int.J.Biol.Macromol., 191, 2021
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7DQP
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![BU of 7dqp by Molmil](/molmil-images/mine/7dqp) | Thermal treated Marsupenaeus japonicus ferritin | Descriptor: | Ferritin | Authors: | Tan, X, Liu, Y, Zang, J, Zhang, T, Zhao, G. | Deposit date: | 2020-12-24 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Hyperthermostability of prawn ferritin nanocage facilitates its application as a robust nanovehicle for nutraceuticals. Int.J.Biol.Macromol., 191, 2021
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7E29
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![BU of 7e29 by Molmil](/molmil-images/mine/7e29) | Crystal Structure of Saccharomyces cerevisiae Ioc4 PWWP domain fused with MBP | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,ISWI one complex protein 4, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Li, J, Smolle, M, Liang, H, Liu, Y. | Deposit date: | 2021-02-05 | Release date: | 2022-02-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | H3K36 methylation and DNA-binding both promote Ioc4 recruitment and Isw1b remodeler function. Nucleic Acids Res., 50, 2022
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7YEH
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![BU of 7yeh by Molmil](/molmil-images/mine/7yeh) | Cryo-EM structure of human OGT-OGA complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-GlcNAcase, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ... | Authors: | Lu, P, Liu, Y, Yu, H, Gao, H. | Deposit date: | 2022-07-05 | Release date: | 2023-07-12 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Cryo-EM structure of human O-GlcNAcylation enzyme pair OGT-OGA complex. Nat Commun, 14, 2023
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7YEA
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![BU of 7yea by Molmil](/molmil-images/mine/7yea) | Human O-GlcNAc transferase Dimer | Descriptor: | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Gao, H, Lu, P, Liu, Y. | Deposit date: | 2022-07-05 | Release date: | 2023-07-12 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Cryo-EM structure of human O-GlcNAcylation enzyme pair OGT-OGA complex. Nat Commun, 14, 2023
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4FGX
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![BU of 4fgx by Molmil](/molmil-images/mine/4fgx) | Crystal structure of bace1 with novel inhibitor | Descriptor: | Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ... | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | Deposit date: | 2012-06-05 | Release date: | 2013-01-16 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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6FKQ
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![BU of 6fkq by Molmil](/molmil-images/mine/6fkq) | THE CRYSTAL STRUCTURE OF A FRAGMENT OF NETRIN-1 IN COMPLEX WITH A FRAGMENT OF DRAXIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Bhowmick, T, Meijers, R. | Deposit date: | 2018-01-24 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Structural Basis for Draxin-Modulated Axon Guidance and Fasciculation by Netrin-1 through DCC. Neuron, 97, 2018
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6XZ8
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![BU of 6xz8 by Molmil](/molmil-images/mine/6xz8) | Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide | Descriptor: | Cytochrome P450 11B2, mitochondrial, HEME C, ... | Authors: | Kuglstatter, A, Joseph, C, Benz, J. | Deposit date: | 2020-02-03 | Release date: | 2020-06-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63, 2020
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6LCG
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![BU of 6lcg by Molmil](/molmil-images/mine/6lcg) | Structure of D-carbamoylase mutant from Nitratireductor indicus | Descriptor: | DI(HYDROXYETHYL)ETHER, N-carbamoyl-D-amino-acid hydrolase | Authors: | Liu, Y.F, Ni, Y, Xu, G.C, Dai, W. | Deposit date: | 2019-11-18 | Release date: | 2020-10-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel Acs Catalysis, 10, 2020
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6LEI
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![BU of 6lei by Molmil](/molmil-images/mine/6lei) | |
6LED
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![BU of 6led by Molmil](/molmil-images/mine/6led) | |
6LE2
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![BU of 6le2 by Molmil](/molmil-images/mine/6le2) | Structure of D-carbamoylase mutant from Nitratireductor indicus | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase | Authors: | Ni, Y, Liu, Y.F, Xu, G.C, Dai, W. | Deposit date: | 2019-11-23 | Release date: | 2020-10-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel Acs Catalysis, 10, 2020
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5NS3
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![BU of 5ns3 by Molmil](/molmil-images/mine/5ns3) | |