7E17
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![BU of 7e17 by Molmil](/molmil-images/mine/7e17) | Structure of dimeric uPAR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor | Authors: | Cai, Y, Huang, M. | Deposit date: | 2021-02-01 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Crystal structure and cellular functions of uPAR dimer Nat Commun, 13, 2022
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8WUY
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![BU of 8wuy by Molmil](/molmil-images/mine/8wuy) | Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives | Descriptor: | Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | Authors: | Hong, W.B, Chen, X.Q, Lin, T.W. | Deposit date: | 2023-10-21 | Release date: | 2024-01-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene. Bioorg.Chem., 144, 2024
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6LKA
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![BU of 6lka by Molmil](/molmil-images/mine/6lka) | Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds | Descriptor: | 3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide | Authors: | Li, P, Wu, S.Q, Xiao, T.Y.C, Li, Y.L, Su, Z.M, Hao, F, Hu, G.P, Hu, J, Lin, F.S, Chen, X.S, Gu, Z.X, He, H.Y, Li, J, Chen, S.H. | Deposit date: | 2019-12-18 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent. Bioorg.Med.Chem., 28, 2020
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6LON
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![BU of 6lon by Molmil](/molmil-images/mine/6lon) | Crystal structure of HPSG | Descriptor: | (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, GLYCEROL, PFL2/glycerol dehydratase family glycyl radical enzyme, ... | Authors: | Liu, J, Zhang, Y, Yuchi, Z. | Deposit date: | 2020-01-06 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Two radical-dependent mechanisms for anaerobic degradation of the globally abundant organosulfur compound dihydroxypropanesulfonate. Proc.Natl.Acad.Sci.USA, 117, 2020
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7XCZ
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![BU of 7xcz by Molmil](/molmil-images/mine/7xcz) | |
7XDK
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![BU of 7xdk by Molmil](/molmil-images/mine/7xdk) | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ... | Authors: | Liu, Z, Lui, S, Gao, Y. | Deposit date: | 2022-03-27 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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7XDA
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7XDB
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![BU of 7xdb by Molmil](/molmil-images/mine/7xdb) | Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7208 fab, ... | Authors: | Liu, Z, Liu, S, Gao, Y.Z. | Deposit date: | 2022-03-26 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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5WXC
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![BU of 5wxc by Molmil](/molmil-images/mine/5wxc) | Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 2) | Descriptor: | Beta-2-microglobulin, H7-25-F, HLA class I histocompatibility antigen, ... | Authors: | Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F. | Deposit date: | 2017-01-07 | Release date: | 2018-01-17 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (2.295 Å) | Cite: | Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses. Mbio, 9, 2018
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5WXD
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![BU of 5wxd by Molmil](/molmil-images/mine/5wxd) | Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1) | Descriptor: | Beta-2-microglobulin, H7-25, HLA class I histocompatibility antigen, ... | Authors: | Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F. | Deposit date: | 2017-01-07 | Release date: | 2018-01-17 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (3.295 Å) | Cite: | Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses. Mbio, 9, 2018
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6JYM
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![BU of 6jym by Molmil](/molmil-images/mine/6jym) | |
7XDL
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![BU of 7xdl by Molmil](/molmil-images/mine/7xdl) | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7125 fab, ... | Authors: | Liu, Z, Liu, S, Yuanzhu, G. | Deposit date: | 2022-03-27 | Release date: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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7XOE
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![BU of 7xoe by Molmil](/molmil-images/mine/7xoe) | Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
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7XOG
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![BU of 7xog by Molmil](/molmil-images/mine/7xog) | Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide, ... | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
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6IV5
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![BU of 6iv5 by Molmil](/molmil-images/mine/6iv5) | Crystal structure of arabidopsis N6-mAMP deaminase MAPDA | Descriptor: | Adenosine/AMP deaminase family protein, PHOSPHATE ION, ZINC ION | Authors: | Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J. | Deposit date: | 2018-12-02 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing. Rna Biol., 16, 2019
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3EBM
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6IV9
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![BU of 6iv9 by Molmil](/molmil-images/mine/6iv9) | the Cas13d binary complex | Descriptor: | Cas13d, MAGNESIUM ION, crRNA (50-MER) | Authors: | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | Deposit date: | 2018-12-02 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d. Nat Commun, 10, 2019
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6U0D
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![BU of 6u0d by Molmil](/molmil-images/mine/6u0d) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0590 | Descriptor: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea | Authors: | Leonard, P.G, Joseph, S. | Deposit date: | 2019-08-14 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site J. Med. Chem., 2022
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6IV8
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![BU of 6iv8 by Molmil](/molmil-images/mine/6iv8) | the selenomethionine(SeMet)-derived Cas13d binary complex | Descriptor: | MAGNESIUM ION, RNA (51-MER), RNA (53-MER), ... | Authors: | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | Deposit date: | 2018-12-02 | Release date: | 2019-06-19 | Last modified: | 2019-06-26 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d. Nat Commun, 10, 2019
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8U31
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![BU of 8u31 by Molmil](/molmil-images/mine/8u31) | Crystal structure of PD-1 in complex with a Fab | Descriptor: | Fab heavy chain, Fab light chain, GLYCEROL, ... | Authors: | Sun, D, Masureel, M. | Deposit date: | 2023-09-07 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability. Mabs, 16, 2024
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8U32
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![BU of 8u32 by Molmil](/molmil-images/mine/8u32) | Crystal structure of PD-1 in complex with a Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | Authors: | Sun, D, Masureel, M. | Deposit date: | 2023-09-07 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability. Mabs, 16, 2024
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6UKB
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![BU of 6ukb by Molmil](/molmil-images/mine/6ukb) | Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-04 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00020 To Be Published
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5XRR
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![BU of 5xrr by Molmil](/molmil-images/mine/5xrr) | Crystal structure of FUS (54-59) SYSSYG | Descriptor: | RNA-binding protein FUS, ZINC ION | Authors: | Zhao, M, Gui, X, Li, D, Liu, C. | Deposit date: | 2017-06-09 | Release date: | 2018-04-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.503 Å) | Cite: | Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation. Nat. Struct. Mol. Biol., 25, 2018
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2I2H
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![BU of 2i2h by Molmil](/molmil-images/mine/2i2h) | NMR structure of TPC3 in TFE | Descriptor: | signaling peptide TCP3 | Authors: | Syvitski, R.T, Jakeman, D.L, Li, Y. | Deposit date: | 2006-08-16 | Release date: | 2006-10-17 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Structure-Activity Analysis of Quorum-Sensing Signaling Peptides from Streptococcus mutans. J.Bacteriol., 189, 2007
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7EN3
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![BU of 7en3 by Molmil](/molmil-images/mine/7en3) | Crystal structure of tubulin in complex with Tubulysin analogue TGL | Descriptor: | (2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Li, W. | Deposit date: | 2021-04-15 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.643 Å) | Cite: | The X-ray structure of tubulysin analogue TGL in complex with tubulin and three possible routes for the development of next-generation tubulysin analogues. Biochem.Biophys.Res.Commun., 565, 2021
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