8Y8B
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![BU of 8y8b by Molmil](/molmil-images/mine/8y8b) | Local structure of HCoV-HKU1C spike in complex with TMPRSS2 and glycan | 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, ... | Authors: | Wang, H.F, Zhang, X, Lu, Y.C, Liu, X.C, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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8Y8I
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![BU of 8y8i by Molmil](/molmil-images/mine/8y8i) | Structure of HCoV-HKU1C spike in the glycan-activated-3up conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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8Y8A
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![BU of 8y8a by Molmil](/molmil-images/mine/8y8a) | Structure of HCoV-HKU1C spike in the functionally anchored-3up conformation with 3TMPRSS2 | 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, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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8Y8H
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![BU of 8y8h by Molmil](/molmil-images/mine/8y8h) | Structure of HCoV-HKU1C spike in the glycan-activated-2up conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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8Y8F
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![BU of 8y8f by Molmil](/molmil-images/mine/8y8f) | Structure of HCoV-HKU1C spike in the glycan-activated-closed conformation | 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, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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5QCN
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![BU of 5qcn by Molmil](/molmil-images/mine/5qcn) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | Descriptor: | 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | Authors: | Sheriff, S. | Deposit date: | 2017-08-10 | Release date: | 2017-11-08 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
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8Y8J
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![BU of 8y8j by Molmil](/molmil-images/mine/8y8j) | Local structure of HCoV-HKU1C spike in complex with glycan | 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, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | Deposit date: | 2024-02-06 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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8Y7X
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![BU of 8y7x by Molmil](/molmil-images/mine/8y7x) | Structure of HCoV-HKU1A spike in the functionally anchored-3up conformation with 3TMPRSS2 | 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, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | Deposit date: | 2024-02-05 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 2024
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8WHZ
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![BU of 8whz by Molmil](/molmil-images/mine/8whz) | BA.2.86 RBD in complex with hACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ... | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-09-23 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity Natl Sci Rev, 2024
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8X55
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![BU of 8x55 by Molmil](/molmil-images/mine/8x55) | BA.2.86 Spike Trimer with T356K mutation (3 RBD down) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-11-16 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity Natl Sci Rev, 2024
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6X3L
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![BU of 6x3l by Molmil](/molmil-images/mine/6x3l) | Sortilin-Progranulin Interaction With Compound 2 | Descriptor: | 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Parthasarathy, G, Soisson, S.M. | Deposit date: | 2020-05-21 | Release date: | 2020-08-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg.Med.Chem.Lett., 30, 2020
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6X48
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![BU of 6x48 by Molmil](/molmil-images/mine/6x48) | Sortilin-Progranulin Interaction With Compound 17 | Descriptor: | GLYCEROL, N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine, Sortilin, ... | Authors: | Parthasarathy, G, Soisson, S.M. | Deposit date: | 2020-05-22 | Release date: | 2020-08-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg.Med.Chem.Lett., 30, 2020
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5HV2
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![BU of 5hv2 by Molmil](/molmil-images/mine/5hv2) | |
5HV1
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![BU of 5hv1 by Molmil](/molmil-images/mine/5hv1) | |
1QT1
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![BU of 1qt1 by Molmil](/molmil-images/mine/1qt1) | |
5HV6
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![BU of 5hv6 by Molmil](/molmil-images/mine/5hv6) | |
6X4H
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![BU of 6x4h by Molmil](/molmil-images/mine/6x4h) | Sortilin-Progranulin Interaction With Compound 24 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine, GLYCEROL, ... | Authors: | Parthasarathy, G, Soisson, S.M, Klein, D. | Deposit date: | 2020-05-22 | Release date: | 2020-08-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg.Med.Chem.Lett., 30, 2020
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5HV3
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![BU of 5hv3 by Molmil](/molmil-images/mine/5hv3) | |
6WJL
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![BU of 6wjl by Molmil](/molmil-images/mine/6wjl) | Crystal structure of Glypican-2 core protein in complex with D3 Fab | Descriptor: | D3 Fab Heavy chain, D3 Fab Light Chain, Glypican-2, ... | Authors: | Raman, S, Maris, J.M, Bosse, K.R, Julien, J.P. | Deposit date: | 2020-04-14 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A GPC2 antibody-drug conjugate is efficacious against neuroblastoma and small-cell lung cancer via binding a conformational epitope. Cell Rep Med, 2, 2021
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5I89
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![BU of 5i89 by Molmil](/molmil-images/mine/5i89) | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790 | Descriptor: | (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ACETATE ION, CALCIUM ION, ... | Authors: | Setser, J.W, Poy, F, Bellon, S.F. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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6U8X
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![BU of 6u8x by Molmil](/molmil-images/mine/6u8x) | Crystal structure of DNMT3B-DNMT3L in complex with CpApG DNA | Descriptor: | CpApG DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | Authors: | Gao, L, Song, J. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95063877 Å) | Cite: | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
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5I8B
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![BU of 5i8b by Molmil](/molmil-images/mine/5i8b) | CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) | Descriptor: | (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5218 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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6XWI
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![BU of 6xwi by Molmil](/molmil-images/mine/6xwi) | |
5I86
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![BU of 5i86 by Molmil](/molmil-images/mine/5i86) | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 | Descriptor: | (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ... | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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5BPE
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![BU of 5bpe by Molmil](/molmil-images/mine/5bpe) | Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor | Descriptor: | (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro | Authors: | Luqing, S, Yin, Z. | Deposit date: | 2015-05-28 | Release date: | 2015-11-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease J.Med.Chem., 58, 2015
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