3O2M
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5VGU
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4YT6
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4YT7
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8DKB
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8DT4
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![BU of 8dt4 by Molmil](/molmil-images/mine/8dt4) | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime MMB4 (POX-hAChE-MMB4) | Descriptor: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | Deposit date: | 2022-07-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DT2
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![BU of 8dt2 by Molmil](/molmil-images/mine/8dt2) | X-ray structure of human acetylcholinesterase inhibited by paraoxon (POX-hAChE) | Descriptor: | Acetylcholinesterase, DIETHYL PHOSPHONATE, DIMETHYL SULFOXIDE, ... | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | Deposit date: | 2022-07-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DT7
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![BU of 8dt7 by Molmil](/molmil-images/mine/8dt7) | X-ray structure of human acetylcholinesterase in complex with oxime MMB4 (hAChE-MMB4) | Descriptor: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, GLYCEROL, ... | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | Deposit date: | 2022-07-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.207 Å) | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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8DT5
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![BU of 8dt5 by Molmil](/molmil-images/mine/8dt5) | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime RS170B (POX-hAChE-RS170B) | Descriptor: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | Deposit date: | 2022-07-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure, 30, 2022
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5BU3
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![BU of 5bu3 by Molmil](/molmil-images/mine/5bu3) | Crystal Structure of Diels-Alderase PyrI4 in complex with its product | Descriptor: | (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4 | Authors: | Pan, L, Guo, Y, Liu, J. | Deposit date: | 2015-06-03 | Release date: | 2016-02-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4 Cell Chem Biol, 23, 2016
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7RX2
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7RXA
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![BU of 7rxa by Molmil](/molmil-images/mine/7rxa) | afTMEM16 DE/AA mutant in C14 lipid nanodiscs in the presence of Ca2+ | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, afTMEM16 lipid scramblase | Authors: | Feng, Z, Accardi, A. | Deposit date: | 2021-08-22 | Release date: | 2022-05-18 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | TMEM16 scramblases thin the membrane to enable lipid scrambling. Nat Commun, 13, 2022
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7RXH
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7RXB
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![BU of 7rxb by Molmil](/molmil-images/mine/7rxb) | afTMEM16 lipid scramblase in C18 lipid nanodiscs in the absence of Ca2+ | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, afTMEM16 lipid scramblase | Authors: | Feng, Z, Accardi, A. | Deposit date: | 2021-08-22 | Release date: | 2022-05-18 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | TMEM16 scramblases thin the membrane to enable lipid scrambling. Nat Commun, 13, 2022
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7RX3
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7RXG
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7RWJ
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7UPE
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![BU of 7upe by Molmil](/molmil-images/mine/7upe) | Tau Paired Helical Filament from Alzheimer's Disease not incubated with EGCG | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | Authors: | Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2022-04-15 | Release date: | 2022-09-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro. Nat Commun, 13, 2022
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7UPF
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![BU of 7upf by Molmil](/molmil-images/mine/7upf) | Tau Paired Helical Filament from Alzheimer's Disease incubated 1 hr. with EGCG | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | Authors: | Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2022-04-15 | Release date: | 2022-09-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro. Nat Commun, 13, 2022
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7UPG
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![BU of 7upg by Molmil](/molmil-images/mine/7upg) | Tau Paired Helical Filament from Alzheimer's Disease incubated with EGCG for 3 hours | Descriptor: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, Isoform Tau-F of Microtubule-associated protein tau | Authors: | Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2022-04-15 | Release date: | 2022-09-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro. Nat Commun, 13, 2022
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5BTU
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6O5V
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![BU of 6o5v by Molmil](/molmil-images/mine/6o5v) | Binary complex of native hAChE with oxime reactivator RS-170B | Descriptor: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ... | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | Deposit date: | 2019-03-04 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. J.Biol.Chem., 294, 2019
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6O5S
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6O66
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6O5R
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