7A3O
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![BU of 7a3o by Molmil](/molmil-images/mine/7a3o) | Crystal structure of dengue 1 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10 | Descriptor: | Core protein, GLYCEROL, SULFATE ION, ... | Authors: | Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A. | Deposit date: | 2020-08-18 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses. Cell, 184, 2021
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7A3R
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![BU of 7a3r by Molmil](/molmil-images/mine/7a3r) | Crystal structure of dengue 1 virus envelope glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Core protein, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A. | Deposit date: | 2020-08-18 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses. Cell, 184, 2021
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7AMZ
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![BU of 7amz by Molmil](/molmil-images/mine/7amz) | Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide | Descriptor: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A. | Deposit date: | 2020-10-10 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters. Eur.J.Med.Chem., 218, 2021
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7AWG
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![BU of 7awg by Molmil](/molmil-images/mine/7awg) | Crystal structure of human butyrylcholinesterase in complex with (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ... | Authors: | Brazzolotto, X, Wichur, T, Wieckowska, A. | Deposit date: | 2020-11-08 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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7AWH
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![BU of 7awh by Molmil](/molmil-images/mine/7awh) | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ... | Authors: | Brazzolotto, X, Wichur, T, Wieckowska, A. | Deposit date: | 2020-11-08 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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7AWI
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![BU of 7awi by Molmil](/molmil-images/mine/7awi) | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate | Descriptor: | 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Goral, I, Wieckowska, A. | Deposit date: | 2020-11-08 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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7B38
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![BU of 7b38 by Molmil](/molmil-images/mine/7b38) | Torpedo californica acetylcholinesterase complexed with Mg+2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L. | Deposit date: | 2020-11-29 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif. Protein Sci., 30, 2021
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7B8E
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![BU of 7b8e by Molmil](/molmil-images/mine/7b8e) | Torpedo californica acetylcholinesterase complexed with Ca+2 | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L. | Deposit date: | 2020-12-12 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif. Protein Sci., 30, 2021
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7BO3
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![BU of 7bo3 by Molmil](/molmil-images/mine/7bo3) | Human Butyrylcholinesterase in complex with N-(2-(1H-Indol-3-yl)ethyl)-2-cycloheptyl-N-methylethan-1-amine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ... | Authors: | Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S. | Deposit date: | 2021-01-23 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series. Eur.J.Med.Chem., 234, 2022
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7BO4
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![BU of 7bo4 by Molmil](/molmil-images/mine/7bo4) | Human Butyrylcholinesterase in complex with 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H-indol-6-ol | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ... | Authors: | Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S. | Deposit date: | 2021-01-23 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series. Eur.J.Med.Chem., 234, 2022
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7BPS
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![BU of 7bps by Molmil](/molmil-images/mine/7bps) | Crystal structure of mouse TEX101 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Testis-expressed protein 101, ... | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | Deposit date: | 2020-03-23 | Release date: | 2020-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains. Febs Lett., 594, 2020
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7D0V
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![BU of 7d0v by Molmil](/molmil-images/mine/7d0v) | Crystal structure of Taiwan cobra 5'-nucleotidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Snake venom 5'-nucleotidase, ... | Authors: | Tsai, M.-H, Lin, I.-J, Lin, C.-C, Wu, W.-G. | Deposit date: | 2020-09-12 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.175 Å) | Cite: | Crystal structure of Taiwan cobra 5'-nucleotidase To Be Published
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7E57
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![BU of 7e57 by Molmil](/molmil-images/mine/7e57) | Crystal structure of murine GITR-GITRL complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18, ... | Authors: | Zhao, M, Tan, S, Fu, L, Chai, Y, Qi, J, Gao, G.F. | Deposit date: | 2021-02-18 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.302 Å) | Cite: | Atypical TNF-TNFR superfamily binding interface in the GITR-GITRL complex for T cell activation. Cell Rep, 36, 2021
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7F5J
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![BU of 7f5j by Molmil](/molmil-images/mine/7f5j) | The crystal structure of VyPAL2-I244V, a more efficient mutant of VyPAL2 peptide asparaginyl ligase in its active enzyme form | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-06-22 | Release date: | 2022-06-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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7F5R
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![BU of 7f5r by Molmil](/molmil-images/mine/7f5r) | Crystal structure of SARS-CoV-2 Y453F-RBD bound to mink 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, Spike protein S1, ... | Authors: | Wang, X.Q, Ding, Q, Lan, J, Ren, W.L. | Deposit date: | 2021-06-22 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal structure of SARS-CoV-2 Y453F-RBD bound to mink ACE2 To Be Published
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7FA0
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![BU of 7fa0 by Molmil](/molmil-images/mine/7fa0) | The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide Asparaginyl Ligases, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-07-05 | Release date: | 2022-07-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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7FC3
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![BU of 7fc3 by Molmil](/molmil-images/mine/7fc3) | structure of NL63 receptor-binding domain complexed with horse 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, Angiotensin-converting enzyme, ... | Authors: | Wang, X.Q, Ge, J.W, Lan, J. | Deposit date: | 2021-07-13 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2. Structure, 30, 2022
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7FJC
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![BU of 7fjc by Molmil](/molmil-images/mine/7fjc) | Crystal structure of SARS-CoV-2 Beta RBD complexed with P36-5D2 Fab | Descriptor: | P36-5D2 heavy chain, P36-5D2 light chain, Spike protein S1, ... | Authors: | Zhang, L.Q, Wang, X.Q, Shan, S.S, Lan, J. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Crystal structure of SARS-CoV-2 Beta RBD complexed with P36-5D2 Fab To Be Published
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7K9H
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![BU of 7k9h by Molmil](/molmil-images/mine/7k9h) | SARS-CoV-2 Spike in complex with neutralizing Fab 2B04 (one up, two down 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, 2B04 heavy chain, ... | Authors: | Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-29 | Release date: | 2021-09-29 | Last modified: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD. Cell Rep, 37, 2021
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7K9J
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![BU of 7k9j by Molmil](/molmil-images/mine/7k9j) | |
7LG6
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![BU of 7lg6 by Molmil](/molmil-images/mine/7lg6) | BG505 SOSIP.v5.2 in complex with VRC40.01 and RM19R Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Cottrell, C.A, Torres, J.L, Wu, N.R, Ward, A.B. | Deposit date: | 2021-01-19 | Release date: | 2021-09-15 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural basis of glycan276-dependent recognition by HIV-1 broadly neutralizing antibodies. Cell Rep, 37, 2021
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7LXW
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![BU of 7lxw by Molmil](/molmil-images/mine/7lxw) | |
7LY3
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![BU of 7ly3 by Molmil](/molmil-images/mine/7ly3) | |
7MD5
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![BU of 7md5 by Molmil](/molmil-images/mine/7md5) | Insulin receptor ectodomain dimer complexed with two IRPA-9 partial agonists | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gomez-Llorente, Y, Zhou, H, Scapin, G. | Deposit date: | 2021-04-03 | Release date: | 2022-02-23 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Functionally selective signaling and broad metabolic benefits by novel insulin receptor partial agonists. Nat Commun, 13, 2022
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7MEM
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![BU of 7mem by Molmil](/molmil-images/mine/7mem) | |