7BEK
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![BU of 7bek by Molmil](/molmil-images/mine/7bek) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEO
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![BU of 7beo by Molmil](/molmil-images/mine/7beo) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253H55L and COVOX-75 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-24 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEP
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![BU of 7bep by Molmil](/molmil-images/mine/7bep) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-384 and S309 Fabs | Descriptor: | CHLORIDE ION, COVOX-384 heavy chain, COVOX-384 light chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-24 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEI
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![BU of 7bei by Molmil](/molmil-images/mine/7bei) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-150 heavy chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEL
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![BU of 7bel by Molmil](/molmil-images/mine/7bel) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-88 and COVOX-45 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COVOX-45 heavy chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEJ
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![BU of 7bej by Molmil](/molmil-images/mine/7bej) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7ATM
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![BU of 7atm by Molmil](/molmil-images/mine/7atm) | Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (Compound 1) | Descriptor: | (3-(1H-tetrazol-5-yl)phenyl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-10-30 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.582 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7ATO
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![BU of 7ato by Molmil](/molmil-images/mine/7ato) | Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2) | Descriptor: | (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-10-30 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.587 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7AU0
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![BU of 7au0 by Molmil](/molmil-images/mine/7au0) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 7) | Descriptor: | Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7ATX
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![BU of 7atx by Molmil](/molmil-images/mine/7atx) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4) | Descriptor: | 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-01 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7AU8
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![BU of 7au8 by Molmil](/molmil-images/mine/7au8) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13) | Descriptor: | 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7AU9
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![BU of 7au9 by Molmil](/molmil-images/mine/7au9) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14) | Descriptor: | GLYCEROL, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7ATW
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![BU of 7atw by Molmil](/molmil-images/mine/7atw) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 3) | Descriptor: | 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-01 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7AUB
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![BU of 7aub by Molmil](/molmil-images/mine/7aub) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15) | Descriptor: | 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.907 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7AUH
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![BU of 7auh by Molmil](/molmil-images/mine/7auh) | Structure of P. aeruginosa PBP3 in complex with vaborbactam | Descriptor: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-03 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.012 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7AU1
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![BU of 7au1 by Molmil](/molmil-images/mine/7au1) | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12) | Descriptor: | 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Newman, H, Bellini, B, Dowson, C.G. | Deposit date: | 2020-11-02 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
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7Z3Z
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![BU of 7z3z by Molmil](/molmil-images/mine/7z3z) | Locked Wuhan SARS-CoV2 Prefusion Spike ectodomain with lipid bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, STEARIC ACID, ... | Authors: | Duyvesteyn, H.M.E, Carrique, L, Ren, J, Stuart, D.I, Fry, E.E. | Deposit date: | 2022-03-03 | Release date: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The SARS-CoV-2 Spike harbours a lipid binding pocket which modulates stability of the prefusion trimer bioRxiv, 2020
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