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8WFE
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BU of 8wfe by Molmil
The Crystal Structure of PPARg from Biortus.
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor gamma
Authors:Wang, F, Cheng, W, Lv, Z, Guo, S, Lin, D.
Deposit date:2023-09-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of PPARg from Biortus.
To Be Published
2JQW
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BU of 2jqw by Molmil
A novel lectin-like peptide from Odorrana grahami
Descriptor: lectin-like peptide
Authors:Li, J, Lin, D, Lai, R.
Deposit date:2007-06-13
Release date:2008-06-17
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:A novel lectin-like peptide from Odorrana grahami
To be Published
2JOM
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BU of 2jom by Molmil
NMR structure of rabbit prion protein mutation I214V
Descriptor: Major prion protein
Authors:Li, J, Lin, D.
Deposit date:2007-03-14
Release date:2008-01-29
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution Structure and Dynamics of the I214V Mutant of the Rabbit Prion Protein.
Plos One, 5, 2010
2MLA
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BU of 2mla by Molmil
Solution structure of BmKTX-D19K
Descriptor: Potassium channel toxin alpha-KTx 3.6
Authors:Hong, J, Lin, D, Chen, Z, Wu, Y.
Deposit date:2014-02-21
Release date:2015-02-25
Method:SOLUTION NMR
Cite:Solution structure of BmKTX-D19K
To be Published
2JOJ
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BU of 2joj by Molmil
NMR solution structure of N-terminal domain of Euplotes octocarinatus centrin
Descriptor: Centrin protein
Authors:Hong, J, Guo, C, Lin, D.
Deposit date:2007-03-14
Release date:2008-03-18
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:NMR solution structure of N-terminal domain of Euplotes octocarinatus centrin
To be Published
7PSU
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BU of 7psu by Molmil
Structure of protein kinase CK2alpha mutant K198R associated with the Okur-Chung Neurodevelopmental Syndrome
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ...
Authors:Werner, C, Gast, A, Lindenblatt, D, Nickelsen, K, Niefind, K, Jose, J, Hochscherf, J.
Deposit date:2021-09-23
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and Enzymological Evidence for an Altered Substrate Specificity in Okur-Chung Neurodevelopmental Syndrome Mutant CK2 alpha Lys198Arg.
Front Mol Biosci, 9, 2022
7A1B
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BU of 7a1b by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine
Descriptor: 1,2-ETHANEDIOL, 5,6-dibromo-1H-triazolo[4,5-b]pyridine, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-12
Release date:2020-12-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.287 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
7A22
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BU of 7a22 by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine
Descriptor: 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-15
Release date:2020-12-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
7A4B
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BU of 7a4b by Molmil
Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine
Descriptor: 5,6-dibromo-1H-triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-19
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
7A49
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BU of 7a49 by Molmil
Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine
Descriptor: 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, SULFATE ION
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-19
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
7A2H
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BU of 7a2h by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-imidazo[4,5-b]pyridine
Descriptor: 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-18
Release date:2020-12-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
7A4C
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BU of 7a4c by Molmil
Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine
Descriptor: 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-19
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
7B1H
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BU of 7b1h by Molmil
Monoclinic P21 Structure of Human Mad1 C-terminal Domain in Complex with Phosphorylated Bub1 CD1 Domain
Descriptor: Mitotic checkpoint serine/threonine-protein kinase BUB1, Mitotic spindle assembly checkpoint protein MAD1
Authors:Fischer, E, Bellini, D, Barford, D.
Deposit date:2020-11-24
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular mechanism of Mad1 kinetochore targeting by phosphorylated Bub1.
Embo Rep., 22, 2021
7B1F
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BU of 7b1f by Molmil
Orthorhombic P212121 Structure of Human Mad1 C-terminal Domain in Complex with Phosphorylated Bub1 CD1 Domain
Descriptor: Mitotic checkpoint serine/threonine-protein kinase BUB1, Mitotic spindle assembly checkpoint protein MAD1
Authors:Fischer, E, Bellini, D, Barford, D.
Deposit date:2020-11-24
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular mechanism of Mad1 kinetochore targeting by phosphorylated Bub1.
Embo Rep., 22, 2021
7B1J
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BU of 7b1j by Molmil
Orthorhombic P21212 Structure of Human Mad1 C-terminal Domain in Complex with Phosphorylated Bub1 CD1 Domain
Descriptor: Mitotic checkpoint serine/threonine-protein kinase BUB1, Mitotic spindle assembly checkpoint protein MAD1
Authors:Fischer, E, Bellini, D, Barford, D.
Deposit date:2020-11-25
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular mechanism of Mad1 kinetochore targeting by phosphorylated Bub1.
Embo Rep., 22, 2021
6Y6Z
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BU of 6y6z by Molmil
Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1
Descriptor: GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
Authors:Newman, H, Bellini, D, Dowson, C.G.
Deposit date:2020-02-27
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion.
Chem Sci, 11, 2020
6Y6U
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BU of 6y6u by Molmil
Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6
Descriptor: 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI
Authors:Newman, H, Bellini, D, Dowson, C.G.
Deposit date:2020-02-27
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
7A1Z
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BU of 7a1z by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine
Descriptor: 1,2-ETHANEDIOL, 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-14
Release date:2020-12-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.024 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
6YS3
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BU of 6ys3 by Molmil
Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Schulte, L, Reitz, J, Kudlinzki, D, Hodirnau, V.V, Frangakis, A, Schwalbe, H.
Deposit date:2020-04-20
Release date:2020-09-30
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide
Nat Commun, 2020
6YZ0
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BU of 6yz0 by Molmil
Full length Open-form Sodium Channel NavMs F208L in complex with Cannabidiol (CBD)
Descriptor: 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Sula, A, Sait, L.G, Hollingworth, D, Wallace, B.A.
Deposit date:2020-05-06
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cannabidiol interactions with voltage-gated sodium channels.
Elife, 9, 2020
6Z8C
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BU of 6z8c by Molmil
Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with N-desmethyltamoxifen (3.2 A resolution)
Descriptor: 2-[4-[(~{Z})-1,2-diphenylbut-1-enyl]phenoxy]-~{N}-methyl-ethanamine, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Sula, A, Hollingworth, D, Wallace, B.A.
Deposit date:2020-06-02
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
6YZ2
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BU of 6yz2 by Molmil
Full length Open-form Sodium Channel NavMs F208L
Descriptor: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
Authors:Sula, A, Sait, L.G, Hollingworth, D, Wallace, B.A.
Deposit date:2020-05-06
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cannabidiol interactions with voltage-gated sodium channels.
Elife, 9, 2020
8OL6
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BU of 8ol6 by Molmil
Murine type II Abeta fibril from tgAPPSwe mouse
Descriptor: Amyloid-beta protein 42
Authors:Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F.
Deposit date:2023-03-30
Release date:2023-11-29
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
8OLN
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BU of 8oln by Molmil
DI1 Abeta fibril from tg-SwDI mouse
Descriptor: Amyloid-beta protein 42
Authors:Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F.
Deposit date:2023-03-30
Release date:2023-11-29
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
8OLQ
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BU of 8olq by Molmil
DI3 Abeta fibril from tg-SwDI mouse
Descriptor: Amyloid-beta protein 42
Authors:Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F.
Deposit date:2023-03-30
Release date:2023-11-29
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023

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數據於2024-06-19公開中

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