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9NZH
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BU of 9nzh by Molmil
Crystal Structure of Amylin-NHO-18 binder complex
Descriptor: Amylin-NHO-18 Binder, Islet amyloid polypeptide, SULFATE ION
Authors:Bera, A.K, Lui, C, Kang, A, Baker, D.
Deposit date:2025-03-31
Release date:2025-05-14
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Diffusing protein binders to intrinsically disordered proteins
To Be Published
9L04
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BU of 9l04 by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK783
Descriptor: 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine, Activin receptor type-1, SULFATE ION
Authors:Sakai, N, Mishima-Tsumagari, C, Shirouzu, M.
Deposit date:2024-12-11
Release date:2025-06-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A new BMP type 1 receptor kinase inhibitor for safe and efficient oral treatment to prevent genetically induced heterotopic ossification in mice.
Bone, 2025
7OZV
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BU of 7ozv by Molmil
SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G
Descriptor: Non-structural protein 7, Non-structural protein 8, Product RNA, ...
Authors:Kabinger, F, Stiller, C, Schmitzova, J, Dienemann, C, Kokic, G, Hillen, H.S, Hoebartner, C, Cramer, P.
Deposit date:2021-06-28
Release date:2021-08-18
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis.
Nat.Struct.Mol.Biol., 28, 2021
7OZU
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BU of 7ozu by Molmil
SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with A
Descriptor: Non-structural protein 7, Non-structural protein 8, Product RNA, ...
Authors:Kabinger, F, Stiller, C, Schmitzova, J, Dienemann, C, Kokic, G, Hillen, H.S, Hoebartner, C, Cramer, P.
Deposit date:2021-06-28
Release date:2021-08-18
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis.
Nat.Struct.Mol.Biol., 28, 2021
9I69
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BU of 9i69 by Molmil
Crystal structure of human Cdc20 bound to synthetic D-box peptide D20
Descriptor: ARG-ALA-PRO-0JY-SER-ASP, Cell division cycle protein 20 homolog
Authors:Eapen, R, Okoye, C, Stubbs, C, Schimpl, M, Tischer, T, Fisher, E.J, Zacharopoulou, M, Ferrer, F, Barford, D, Spring, D, Lindon, C, Phillips, C, Itzhaki, L.S.
Deposit date:2025-01-29
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.463 Å)
Cite:Development of D-box peptides to inhibit the Anaphase Promoting Complex/Cyclosome
To be published
9I6A
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BU of 9i6a by Molmil
Crystal structure of human Cdc20 bound to synthetic D-box peptide D7
Descriptor: ALA-PRO-0JY-GLY, Cell division cycle protein 20 homolog
Authors:Eapen, R, Okoye, C, Stubbs, C, Schimpl, M, Tischer, T, Fisher, E.J, Zacharopoulou, M, Ferrer, F, Barford, D, Spring, D, Lindon, C, Phillips, C, Itzhaki, L.S.
Deposit date:2025-01-29
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.915 Å)
Cite:Development of D-box peptides to inhibit the Anaphase Promoting Complex/Cyclosome
To be published
9I68
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BU of 9i68 by Molmil
Crystal structure of human Cdc20 bound to synthetic D-box peptide D21
Descriptor: ARG-ALA-PRO-3EG-SER-ASP, Cell division cycle protein 20 homolog
Authors:Eapen, R, Okoye, C, Stubbs, C, Schimpl, M, Tischer, T, Fisher, E.J, Zacharopoulou, M, Ferrer, F, Barford, D, Spring, D, Lindon, C, Phillips, C, Itzhaki, L.S.
Deposit date:2025-01-29
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.505 Å)
Cite:Development of D-box peptides to inhibit the Anaphase Promoting Complex/Cyclosome
To be published
9EOG
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BU of 9eog by Molmil
PHF type tau filament from R406W mutant
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Scheres, S.H.W, Michel, G.
Deposit date:2024-03-14
Release date:2024-05-29
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Tau filaments with the Alzheimer fold in human MAPT mutants V337M and R406W.
Nat.Struct.Mol.Biol., 32, 2025
9EOH
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BU of 9eoh by Molmil
PHF type tau filament from in vitro V337M mutant
Descriptor: Isoform Tau-F of Microtubule-associated protein tau
Authors:Qi, C, Lovestam, S, Scheres, S.H.W, Michel, G.
Deposit date:2024-03-14
Release date:2024-05-29
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Tau filaments with the Alzheimer fold in human MAPT mutants V337M and R406W.
Nat.Struct.Mol.Biol., 32, 2025
9EO9
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BU of 9eo9 by Molmil
SF type tau filament from V337M mutant
Descriptor: Isoform Tau-F of Microtubule-associated protein tau
Authors:Qi, C, Scheres, S.H.W, Michel, G.
Deposit date:2024-03-14
Release date:2024-07-10
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Tau filaments with the Alzheimer fold in human MAPT mutants V337M and R406W.
Nat.Struct.Mol.Biol., 32, 2025
9EO7
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BU of 9eo7 by Molmil
PHF type tau filament from V337M mutant
Descriptor: Isoform Tau-F of Microtubule-associated protein tau
Authors:Qi, C, Scheres, S.H.W, Michel, G.
Deposit date:2024-03-14
Release date:2024-07-10
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Tau filaments with the Alzheimer fold in human MAPT mutants V337M and R406W.
Nat.Struct.Mol.Biol., 32, 2025
9EOE
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BU of 9eoe by Molmil
TF type tau filament from V337M mutant
Descriptor: Isoform Tau-F of Microtubule-associated protein tau
Authors:Qi, C, Scheres, S.H.W, Michel, G.
Deposit date:2024-03-14
Release date:2024-07-10
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Tau filaments with the Alzheimer fold in human MAPT mutants V337M and R406W.
Nat.Struct.Mol.Biol., 32, 2025
5J7A
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BU of 5j7a by Molmil
Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J.
Deposit date:2016-04-06
Release date:2016-08-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
5XXH
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BU of 5xxh by Molmil
Crystal Structure Analysis of the CBP
Descriptor: (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ...
Authors:Xiang, Q, Zhang, Y, Wang, C, Song, M.
Deposit date:2017-07-04
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer.
Eur J Med Chem, 147, 2018
5Y93
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BU of 5y93 by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-22
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
7Y67
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BU of 7y67 by Molmil
Cryo-EM structure of C089-bound C5aR1(I116A) mutant in complex with Gi protein
Descriptor: C089 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7XHP
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BU of 7xhp by Molmil
Structure of a Glucose 6-Phosphate Dehydrogenase from Zymomonas mobilis
Descriptor: Glucose 6-Phosphate Dehydrogenase
Authors:Meng, D.D, Liu, M.X, Liu, W.D, You, C.
Deposit date:2022-04-09
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Coenzyme Engineering of Glucose-6-phosphate Dehydrogenase on a Nicotinamide-Based Biomimic and Its Application as a Glucose Biosensor
Acs Catalysis, 13, 2023
7Y65
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BU of 7y65 by Molmil
Cryo-EM structure of C5a peptide-bound C5aR1 in complex with Gi protein
Descriptor: C5a anaphylatoxin chemotactic receptor 1, C5apep peptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y66
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BU of 7y66 by Molmil
Cryo-EM structure of BM213-bound C5aR1 in complex with Gi protein
Descriptor: BM213 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7XN1
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BU of 7xn1 by Molmil
Crystal structure of human acetylcholinesterase in complex with tacrine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Acetylcholinesterase, ...
Authors:Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J.
Deposit date:2022-04-27
Release date:2023-03-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Int.J.Biol.Macromol., 210, 2022
7Y64
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BU of 7y64 by Molmil
Cryo-EM structure of C5a-bound C5aR1 in complex with Gi protein
Descriptor: C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
5Z9R
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BU of 5z9r by Molmil
NMNAT as a specific chaperone antagonizing pathological condensation of phosphorylated tau
Descriptor: Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3
Authors:Dou, S, Ma, X, Li, D, Liu, C.
Deposit date:2018-02-05
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nicotinamide mononucleotide adenylyltransferase uses its NAD+substrate-binding site to chaperone phosphorylated Tau.
Elife, 9, 2020
7XPT
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BU of 7xpt by Molmil
Crystal structrue of MtdL:GDP:Mn soaked with GDP-Glc
Descriptor: GDP-ALPHA-D-GLUCOSE, MANGANESE (II) ION, Transglycosylse
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XT2
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BU of 7xt2 by Molmil
Crystal structure of TRIM72
Descriptor: Tripartite motif-containing protein 72, ZINC ION
Authors:Zhou, C, Ma, Y.M, Ding, L.
Deposit date:2022-05-15
Release date:2023-03-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for TRIM72 oligomerization during membrane damage repair.
Nat Commun, 14, 2023
7XPR
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BU of 7xpr by Molmil
Crystal structrue of SeMet-MtdL:GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transglycosylse
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023

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數據於2025-07-23公開中

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