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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:2024-05-01
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
8E3R
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BU of 8e3r by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-08-17
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8SVB
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BU of 8svb by Molmil
Antimicrobial lasso peptide achromonodin-1
Descriptor: Achromonodin-1
Authors:Carson, D.V, Cheung-Lee, W.L, So, L, Link, A.J.
Deposit date:2023-05-16
Release date:2023-10-11
Last modified:2023-12-06
Method:SOLUTION NMR
Cite:Discovery, Characterization, and Bioactivity of the Achromonodins: Lasso Peptides Encoded by Achromobacter .
J.Nat.Prod., 86, 2023
2ZA0
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BU of 2za0 by Molmil
Crystal structure of mouse glyoxalase I complexed with methyl-gerfelin
Descriptor: Glyoxalase I, ZINC ION, methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
Authors:Okumura, H, Kawatani, M, Osada, H.
Deposit date:2007-09-26
Release date:2008-08-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The identification of an osteoclastogenesis inhibitor through the inhibition of glyoxalase I
Proc.Natl.Acad.Sci.Usa, 105, 2008
6UGH
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BU of 6ugh by Molmil
Cryo-EM structure of the apo form of human PRMT5:MEP50 complex at a resolution of 3.4 angstrom
Descriptor: Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:Zhou, W, Yadav, G.P, Jiang, Q.-X, Li, C.
Deposit date:2019-09-26
Release date:2020-12-09
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A 3.4-angstrom cryo-EM structure of the apo form of hu-man PRMT5:MEP50 complex reveals sequential catalysis of symmetric methyl transfer
To Be Published
1J3H
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BU of 1j3h by Molmil
Crystal structure of apoenzyme cAMP-dependent protein kinase catalytic subunit
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase, alpha-catalytic subunit
Authors:Akamine, P, Madhusudan, Wu, J, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S.
Deposit date:2003-01-31
Release date:2003-03-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure
J.Mol.Biol., 327, 2003
2QVS
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BU of 2qvs by Molmil
Crystal Structure of Type IIa Holoenzyme of cAMP-dependent Protein Kinase
Descriptor: cAMP-dependent protein kinase type II-alpha regulatory subunit, cAMP-dependent protein kinase, alpha-catalytic subunit
Authors:Wu, J, Brown, S.H.J, von Daake, S, Taylor, S.S.
Deposit date:2007-08-08
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:PKA type IIalpha holoenzyme reveals a combinatorial strategy for isoform diversity.
Science, 318, 2007
2BJV
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BU of 2bjv by Molmil
Crystal Structure of PspF(1-275) R168A mutant
Descriptor: PSP OPERON TRANSCRIPTIONAL ACTIVATOR
Authors:Rappas, M, Schumacher, J, Beuron, F, Niwa, H, Bordes, P, Wigneshweraraj, S, Keetch, C.A, Robinson, C.V, Buck, M, Zhang, X.
Deposit date:2005-02-08
Release date:2005-03-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights Into the Activity of Enhancer-Binding Proteins
Science, 307, 2005
7PZC
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BU of 7pzc by Molmil
Cryo-EM structure of the NLRP3 decamer bound to the inhibitor CRID3
Descriptor: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ...
Authors:Hochheiser, I.V, Pilsl, M, Hagelueken, G, Engel, C, Geyer, M.
Deposit date:2021-10-12
Release date:2022-01-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the NLRP3 decamer bound to the cytokine release inhibitor CRID3.
Nature, 604, 2022
7MZ5
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BU of 7mz5 by Molmil
Cryo-EM structure of RTX-bound full-length TRPV1 in C2 state
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 1, resiniferatoxin
Authors:Zhang, K, Julius, D, Cheng, Y.
Deposit date:2021-05-24
Release date:2021-09-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
1C7U
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BU of 1c7u by Molmil
Complex of the DNA binding core domain of the transcription factor MEF2A with a 20mer oligonucleotide
Descriptor: 5'-D(*CP*TP*CP*GP*GP*CP*TP*AP*TP*TP*AP*AP*TP*AP*GP*CP*CP*GP*AP*G)-3', MYOCYTE-SPECIFIC ENHANCER FACTOR 2A, C4 FORM
Authors:Clore, G.M, Huang, K.
Deposit date:2000-03-17
Release date:2000-03-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the MEF2A-DNA complex: structural basis for the modulation of DNA bending and specificity by MADS-box transcription factors
Embo J., 19, 2000
6RIJ
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BU of 6rij by Molmil
CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436
Descriptor: 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Skerlova, J, Rezacova, P, Brynda, J.
Deposit date:2019-04-24
Release date:2020-07-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436
To Be Published
6RJQ
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BU of 6rjq by Molmil
Fragment AZ-006 binding at the TAZpS89/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, TAZpS89
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C, Patel, J.
Deposit date:2019-04-29
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
7PPG
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BU of 7ppg by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 9
Descriptor: 1,2-ETHANEDIOL, N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
6V0N
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BU of 6v0n by Molmil
PRMT5 bound to PBM peptide from Riok1
Descriptor: Methylosome protein 50, Protein arginine N-methyltransferase 5, Riok1 PBM peptide, ...
Authors:McMIllan, B.J, Raymond, D.D.
Deposit date:2019-11-19
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Molecular basis for substrate recruitment to the PRMT5 methylosome.
Mol.Cell, 81, 2021
5XY9
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BU of 5xy9 by Molmil
Structure of the MST4 and 14-3-3 complex
Descriptor: 14-3-3 protein zeta/delta, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, GLYCEROL, ...
Authors:Shi, Z.B, Zhou, Z.C.
Deposit date:2017-07-06
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Structure of the MST4 and 14-3-3 complex
To Be Published
6UXY
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BU of 6uxy by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8
Descriptor: (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Palte, R.L, Schneider, S.E.
Deposit date:2019-11-08
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
7POZ
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BU of 7poz by Molmil
Crystal structure of Schistosoma mansoni HDAC8 with DMSO bound in the active site
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Histone deacetylase 8, ...
Authors:Saccoccia, F, Ruberti, G.
Deposit date:2021-09-10
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
7Q3O
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BU of 7q3o by Molmil
Structure of CDX1 bound to hydroxymethylated DNA
Descriptor: Homeobox protein CDX-1, hydroxymethylated DNA (18-MER)
Authors:Morgunova, E, Yin, Y, Popov, A, Taipale, J.
Deposit date:2021-10-28
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structure of CDX1 bound to hydroxymethylated DNA
To Be Published
4HR9
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BU of 4hr9 by Molmil
Human interleukin 17A
Descriptor: Interleukin-17A
Authors:Liu, S.
Deposit date:2012-10-26
Release date:2013-05-22
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structures of interleukin 17A and its complex with IL-17 receptor A.
Nat Commun, 4, 2013
7N0A
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BU of 7n0a by Molmil
Structure of Human Leukaemia Inhibitory Factor with Fab MSC1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Leukemia inhibitory factor, ...
Authors:Raman, S, Bosch, A, Fransson, J, Julien, J.P.
Deposit date:2021-05-25
Release date:2022-06-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Therapeutic Targeting of LIF Overcomes Macrophage-mediated Immunosuppression of the Local Tumor Microenvironment.
Clin.Cancer Res., 29, 2023
7Q4N
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BU of 7q4n by Molmil
transcription factor CDX2 bound to hydroxymethylated DNA
Descriptor: DNA (18-MER), Homeobox protein CDX-2
Authors:Morgunova, E, Yin, Y, Popov, A, Taipale, J.
Deposit date:2021-11-01
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:transcription factor CDX2 bound to hydroxymethylated DNA
To Be Published
7PTV
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BU of 7ptv by Molmil
Structure of the Mimivirus genomic fibre asymmetric unit
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative glucose-methanol-choline oxidoreductase protein
Authors:Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C.
Deposit date:2021-09-27
Release date:2022-08-10
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The giant mimivirus 1.2 Mb genome is elegantly organized into a 30 nm diameter helical protein shield.
Elife, 11, 2022
7PWZ
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BU of 7pwz by Molmil
Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptoralpha phosphopeptide, stabilised by Pyrrolidone1 derivative 228
Descriptor: 14-3-3 protein sigma, 2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid, C-terminus of Estrogen receptor alpha, ...
Authors:Andrei, S.A, Bosica, F, O'Mahony, G, Ottmann, C.
Deposit date:2021-10-07
Release date:2022-12-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7PWT
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BU of 7pwt by Molmil
Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptor alpha phosphopeptide, stabilised by pyrrolidone derivative 228
Descriptor: (2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one, 14-3-3 protein sigma, C-terminus of Estrogen receptor alpha, ...
Authors:Andrei, S.A, Bosica, F, O'Mahony, G, Ottmann, C.
Deposit date:2021-10-07
Release date:2022-12-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction.
J.Med.Chem., 65, 2022

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数据于2024-07-31公开中

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