7WRH
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![BU of 7wrh by Molmil](/molmil-images/mine/7wrh) | Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Han, P, Xie, Y, Qi, J. | Deposit date: | 2022-01-26 | Release date: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s. Cell Discov, 8, 2022
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7XWX
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![BU of 7xwx by Molmil](/molmil-images/mine/7xwx) | Crystal structure of SARS-CoV-2 N-CTD | Descriptor: | Nucleoprotein, PHOSPHATE ION | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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7XX1
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![BU of 7xx1 by Molmil](/molmil-images/mine/7xx1) | Crystal structure of SARS-CoV-2 N-NTD | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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7XWZ
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![BU of 7xwz by Molmil](/molmil-images/mine/7xwz) | Crystal structure of SARS-CoV-2 N-NTD and dsRNA complex | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Nucleoprotein, ... | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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5B8I
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![BU of 5b8i by Molmil](/molmil-images/mine/5b8i) | Crystal structure of Calcineurin A and Calcineurin B in complex with FKBP12 and FK506 from Coccidioides immitis RS | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Dranow, D.M, Lorimer, D.D, Edwards, T.E. | Deposit date: | 2015-05-03 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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5YR0
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![BU of 5yr0 by Molmil](/molmil-images/mine/5yr0) | Structure of Beclin1-UVRAG coiled coil domain complex | Descriptor: | Beclin-1, UV radiation resistance associated protein | Authors: | Pan, X, Zhao, Y, He, Y. | Deposit date: | 2017-11-08 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6K9N
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![BU of 6k9n by Molmil](/molmil-images/mine/6k9n) | Rice_OTUB_like_catalytic domain | Descriptor: | Ubiquitin thioesterase | Authors: | Lu, L.N, Liu, L, Wang, F. | Deposit date: | 2019-06-17 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains Nat Commun, 13, 2022
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6KBE
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![BU of 6kbe by Molmil](/molmil-images/mine/6kbe) | Structure of Deubiquitinase | Descriptor: | Polyubiquitin-C, Ubiquitin thioesterase | Authors: | Lu, L.N, Liu, L, Wang, F. | Deposit date: | 2019-06-24 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.339 Å) | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains Nat Commun, 13, 2022
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4DRA
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![BU of 4dra by Molmil](/molmil-images/mine/4dra) | Crystal structure of MHF complex | Descriptor: | Centromere protein S, Centromere protein X | Authors: | Tao, Y, Niu, L, Teng, M. | Deposit date: | 2012-02-17 | Release date: | 2012-05-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.414 Å) | Cite: | The structure of the FANCM-MHF complex reveals physical features for functional assembly Nat Commun, 3, 2012
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6WHO
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![BU of 6who by Molmil](/molmil-images/mine/6who) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHN
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![BU of 6whn by Molmil](/molmil-images/mine/6whn) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WSJ
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![BU of 6wsj by Molmil](/molmil-images/mine/6wsj) | |
6WHQ
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![BU of 6whq by Molmil](/molmil-images/mine/6whq) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHZ
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![BU of 6whz by Molmil](/molmil-images/mine/6whz) | Histone deacetylases complex with peptide macrocycles | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WI3
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![BU of 6wi3 by Molmil](/molmil-images/mine/6wi3) | Histone deacetylases complex with peptide macrocycles | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6K9P
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![BU of 6k9p by Molmil](/molmil-images/mine/6k9p) | Structure of Deubiquitinase | Descriptor: | Ubiquitin, Ubiquitin thioesterase | Authors: | Lu, L.N, Liu, L, Wang, F. | Deposit date: | 2019-06-17 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains Nat Commun, 13, 2022
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4KFV
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![BU of 4kfv by Molmil](/molmil-images/mine/4kfv) | |
6XBF
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![BU of 6xbf by Molmil](/molmil-images/mine/6xbf) | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1G | Descriptor: | BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1G | Authors: | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118, 2021
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6XBE
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![BU of 6xbe by Molmil](/molmil-images/mine/6xbe) | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F | Descriptor: | BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1F | Authors: | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118, 2021
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6XCI
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![BU of 6xci by Molmil](/molmil-images/mine/6xci) | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D | Descriptor: | ACETATE ION, BlaNDM-4_1_JQ348841, CADMIUM ION, ... | Authors: | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | Deposit date: | 2020-06-08 | Release date: | 2021-03-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7YW3
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![BU of 7yw3 by Molmil](/molmil-images/mine/7yw3) | Crystal structure of tRNA 2'-phosphotransferase from Homo sapiens | Descriptor: | 1,2-ETHANEDIOL, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, tRNA 2'-phosphotransferase 1 | Authors: | Yang, X.Y, Liu, X.H. | Deposit date: | 2022-08-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation. Nucleic Acids Res., 51, 2023
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7YW4
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![BU of 7yw4 by Molmil](/molmil-images/mine/7yw4) | |
7YW2
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![BU of 7yw2 by Molmil](/molmil-images/mine/7yw2) | Crystal structure of tRNA 2'-phosphotransferase from Mus musculus | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, GLYCINE, ... | Authors: | Yang, X.Y, Liu, X.H. | Deposit date: | 2022-08-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation. Nucleic Acids Res., 51, 2023
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4LBF
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![BU of 4lbf by Molmil](/molmil-images/mine/4lbf) | |
4DRB
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![BU of 4drb by Molmil](/molmil-images/mine/4drb) | The crystal structure of FANCM bound MHF complex | Descriptor: | Centromere protein S, Centromere protein X, Fanconi anemia group M protein | Authors: | Tao, Y, Niu, L, Teng, M. | Deposit date: | 2012-02-17 | Release date: | 2012-05-16 | Method: | X-RAY DIFFRACTION (2.634 Å) | Cite: | The structure of the FANCM-MHF complex reveals physical features for functional assembly Nat Commun, 3, 2012
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