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6A84
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BU of 6a84 by Molmil
Tankyrase-2 in complex with compound 15d
Descriptor: 2-(4-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
Deposit date:2018-07-06
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
7NCA
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BU of 7nca by Molmil
Type 1A alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 2
Descriptor: Alpha-synuclein
Authors:Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
Deposit date:2021-01-28
Release date:2021-02-24
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
7NCJ
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BU of 7ncj by Molmil
Type 2AB alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 1
Descriptor: Alpha-synuclein
Authors:Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
Deposit date:2021-01-28
Release date:2021-02-24
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
7NCG
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BU of 7ncg by Molmil
Type 2A alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 2
Descriptor: Alpha-synuclein
Authors:Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
Deposit date:2021-01-28
Release date:2021-02-24
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
7NCI
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BU of 7nci by Molmil
Type 2B alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 1
Descriptor: Alpha-synuclein
Authors:Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
Deposit date:2021-01-28
Release date:2021-02-24
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
7NCH
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BU of 7nch by Molmil
Type 1B alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 1
Descriptor: Alpha-synuclein
Authors:Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
Deposit date:2021-01-28
Release date:2021-02-24
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
7NCK
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BU of 7nck by Molmil
Type 3 alpha-synuclein filament seeded in vitro by filaments purified from Multiple Systems Atrophy Case 5
Descriptor: Alpha-synuclein
Authors:Lovestam, S.K.A, Schweighauser, M, Scheres, S.H.W.
Deposit date:2021-01-28
Release date:2021-02-24
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Seeded assembly in vitro does not replicate the structures of alpha-synuclein filaments from multiple system atrophy.
Febs Open Bio, 11, 2021
5WR7
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BU of 5wr7 by Molmil
Crystal structure of Trk-A complexed with a selective inhibitor CH7057288
Descriptor: High affinity nerve growth factor receptor, N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide
Authors:Tanaka, H, Blaesse, M, Augustin, M, Goesser, C.
Deposit date:2016-11-30
Release date:2017-12-06
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer.
Mol. Cancer Ther., 17, 2018
1BHI
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BU of 1bhi by Molmil
STRUCTURE OF TRANSACTIVATION DOMAIN OF CRE-BP1/ATF-2, NMR, 20 STRUCTURES
Descriptor: CRE-BP1
Authors:Nagadoi, A, Nakazawa, K, Uda, H, Maekawa, T, Ishii, S, Nishimura, Y.
Deposit date:1998-06-09
Release date:1999-06-15
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of the transactivation domain of ATF-2 comprising a zinc finger-like subdomain and a flexible subdomain.
J.Mol.Biol., 287, 1999
6KRO
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BU of 6kro by Molmil
Tankyrase-2 in complex with RK-582
Descriptor: 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one, GLYCEROL, PHOSPHATE ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
Deposit date:2019-08-22
Release date:2020-04-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer.
J.Med.Chem., 63, 2020
1N27
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BU of 1n27 by Molmil
Solution structure of the PWWP domain of mouse Hepatoma-derived growth factor, related protein 3
Descriptor: Hepatoma-derived growth factor, related protein 3
Authors:Nameki, N, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-10-22
Release date:2003-12-23
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the PWWP domain of the hepatoma-derived growth factor family.
Protein Sci., 14, 2005
8IG0
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BU of 8ig0 by Molmil
Crystal structure of menin in complex with DS-1594b
Descriptor: (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ...
Authors:Suzuki, M, Yoneyama, T, Imai, E.
Deposit date:2023-02-20
Release date:2023-03-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1.
Cancer Cell Int, 23, 2023
8OT9
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BU of 8ot9 by Molmil
CTE typeIII tau filament from Guam ALS/PDC
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTF
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BU of 8otf by Molmil
Ab typeII filament from Guam ALS/PDC
Descriptor: Amyloid-beta precursor protein
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTG
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BU of 8otg by Molmil
CTE typeI tau filament from Kii ALS/PDC
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OT6
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BU of 8ot6 by Molmil
CTE typeI tau filament from Guam ALS/PDC
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTE
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BU of 8ote by Molmil
TMEM106B Fold I-d filament from Guam ALS/PDC
Descriptor: Transmembrane protein 106B
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTD
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BU of 8otd by Molmil
TMEM106B Fold1-s filament from Guam ALS/PDC
Descriptor: Transmembrane protein 106B
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTC
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BU of 8otc by Molmil
CTE typeII tau filament from Guam ALS/PDC
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTJ
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BU of 8otj by Molmil
PHF tau filament from Kii ALS/PDC
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTI
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BU of 8oti by Molmil
CTE typeIII tau filament
Descriptor: Microtubule-associated protein tau
Authors:Tetter, S, Qi, C, Ryskeldi-Falcon, B, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OTH
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BU of 8oth by Molmil
TypeII tau filament from Kii ALS/PDC
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Yang, S, Scheres, S.H.W, Goedert, M.
Deposit date:2023-04-20
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Tau filaments from amyotrophic lateral sclerosis/parkinsonism-dementia complex adopt the CTE fold.
Proc.Natl.Acad.Sci.USA, 120, 2023
5F20
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BU of 5f20 by Molmil
Structure of TYK2 with inhibitor 4: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one
Descriptor: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
5F1Z
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BU of 5f1z by Molmil
Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one
Descriptor: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
8HVA
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BU of 8hva by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound compound 14
Descriptor: Epidermal growth factor receptor, ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
Authors:Takahashi, M, Dokurno, P.
Deposit date:2022-12-26
Release date:2023-12-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023

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