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7MXQ
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BU of 7mxq by Molmil
Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (r-1)
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ...
Authors:Shi, Y, Beese, L.S.
Deposit date:2021-05-19
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Structures of reaction intermediates reveal transient Mg2+-binding events that dynamically coordinate Human Exonuclease I activities
To Be Published
6LKX
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BU of 6lkx by Molmil
The structure of PRRSV helicase
Descriptor: CITRIC ACID, GLYCEROL, RNA-dependent RNA polymerase, ...
Authors:Shi, Y.J, Tong, X.H, Peng, G.Q.
Deposit date:2019-12-20
Release date:2020-05-27
Last modified:2021-06-09
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Structural Characterization of the Helicase nsp10 Encoded by Porcine Reproductive and Respiratory Syndrome Virus.
J.Virol., 94, 2020
7SEA
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BU of 7sea by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak
Descriptor: 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE7
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BU of 7se7 by Molmil
Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine
Descriptor: S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SED
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BU of 7sed by Molmil
Crystal structure of human Fibrillarin in complex with compound 2a
Descriptor: FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE6
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BU of 7se6 by Molmil
Crystal structure of human Fibrillarin in ligand-free state
Descriptor: FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEB
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BU of 7seb by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from single soak
Descriptor: 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEC
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BU of 7sec by Molmil
Crystal structure of human Fibrillarin in complex with compound 1a
Descriptor: 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE8
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BU of 7se8 by Molmil
Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak
Descriptor: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE9
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BU of 7se9 by Molmil
Crystal structure of human Fibrillarin in complex with compound 1 from single soak
Descriptor: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
6LOD
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BU of 6lod by Molmil
Cryo-EM structure of the air-oxidized photosynthetic alternative complex III from Roseiflexus castenholzii
Descriptor: Cytochrome c domain-containing protein, FE3-S4 CLUSTER, Fe-S-cluster-containing hydrogenase components 1-like protein, ...
Authors:Shi, Y, Xin, Y.Y, Wang, C, Blankenship, R.E, Sun, F, Xu, X.L.
Deposit date:2020-01-05
Release date:2020-11-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of the air-oxidized and dithionite-reduced photosynthetic alternative complex III from Roseiflexus castenholzii .
Sci Adv, 6, 2020
6LOE
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BU of 6loe by Molmil
Cryo-EM structure of the dithionite-reduced photosynthetic alternative complex III from Roseiflexus castenholzii
Descriptor: Cytochrome c domain-containing protein, FE3-S4 CLUSTER, Fe-S-cluster-containing hydrogenase components 1-like protein, ...
Authors:Shi, Y, Xin, Y.Y, Wang, C, Blankenship, R.E, Sun, F, Xu, X.L.
Deposit date:2020-01-05
Release date:2020-11-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of the air-oxidized and dithionite-reduced photosynthetic alternative complex III from Roseiflexus castenholzii .
Sci Adv, 6, 2020
7O2L
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BU of 7o2l by Molmil
Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC)
Descriptor: (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ...
Authors:Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H.
Deposit date:2021-03-30
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria.
Nat.Chem., 14, 2022
5HGA
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BU of 5hga by Molmil
HLA*A2402 complex with HIV nef138 Y2F-8mer mutant epitope
Descriptor: 8-mer from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Shi, Y, Qi, J, Gao, G.F.
Deposit date:2016-01-08
Release date:2016-06-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation.
Cell Rep, 15, 2016
7P68
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BU of 7p68 by Molmil
Globular glial tauopathy type 3 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6D
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BU of 7p6d by Molmil
Argyrophilic grain disease type 1 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P67
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BU of 7p67 by Molmil
Globular glial tauopathy type 2 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6E
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BU of 7p6e by Molmil
Argyrophilic grain disease type 2 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6A
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BU of 7p6a by Molmil
Limbic-predominant neuronal inclusion body 4R tauopathy type 1a tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P65
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BU of 7p65 by Molmil
Progressive supranuclear palsy tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6B
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BU of 7p6b by Molmil
Limbic-predominant neuronal inclusion body 4R tauopathy type 1b tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P66
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BU of 7p66 by Molmil
Globular glial tauopathy type 1 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6C
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BU of 7p6c by Molmil
Limbic-predominant neuronal inclusion body 4R tauopathy type 2 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
8BYN
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BU of 8byn by Molmil
Chronic traumatic encephalopathy tau filaments with PET ligand flortaucipir
Descriptor: 7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole, Microtubule-associated protein tau
Authors:Shi, Y, Ghetti, B, Goedert, M, Scheres, S.H.W.
Deposit date:2022-12-13
Release date:2023-01-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Cryo-EM Structures of Chronic Traumatic Encephalopathy Tau Filaments with PET Ligand Flortaucipir.
J.Mol.Biol., 435, 2023
7NAI
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BU of 7nai by Molmil
Crystal structure of the TIR domain from human SARM1 in complex with 3AD
Descriptor: Sterile alpha and TIR motif-containing protein 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Shi, Y, Ve, T.
Deposit date:2021-06-21
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022

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