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5LSL
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BU of 5lsl by Molmil
Crystal structure of yeast Hsh49p in complex with Cus1p binding domain.
Descriptor: Cold sensitive U2 snRNA suppressor 1, Protein HSH49
Authors:van Roon, A.M, Obayashi, E, Sposito, B, Oubridge, C, Nagai, K.
Deposit date:2016-09-02
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of U2 snRNP SF3b components: Hsh49p in complex with Cus1p-binding domain.
RNA, 23, 2017
5WJ1
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BU of 5wj1 by Molmil
Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam
Descriptor: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ...
Authors:Garcia, M.D, Lonhienne, T, Guddat, L.W.
Deposit date:2017-07-21
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.522 Å)
Cite:Structural insights into the mechanism of inhibition of AHAS by herbicides.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8Q1G
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BU of 8q1g by Molmil
LSD1-CoREST bound to Acetylated K14 of Histone H3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
Authors:Barone, M, Mattevi, A.
Deposit date:2023-07-31
Release date:2024-05-15
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
5FJ3
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BU of 5fj3 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE in the absence of acetate
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-10-06
Release date:2015-10-28
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
5FO7
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BU of 5fo7 by Molmil
Crystal Structure of Human Complement C3b at 2.8 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN
Authors:Forneris, F, Wu, J, Xue, X, Gros, P.
Deposit date:2015-11-18
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
6M3D
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BU of 6m3d by Molmil
X-ray crystal structure of tandemly connected engrailed homeodomains (EHD) with R53A mutations and DNA complex
Descriptor: DNA (5'-D(*GP*GP*AP*TP*TP*AP*GP*GP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*TP*CP*CP*TP*AP*AP*TP*CP*C)-3'), SODIUM ION, ...
Authors:Sunami, T, Hirano, Y, Tamada, T, Kono, H.
Deposit date:2020-03-03
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for designing an array of engrailed homeodomains.
Acta Crystallogr D Struct Biol, 76, 2020
5LV2
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BU of 5lv2 by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor LH1246
Descriptor: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ...
Authors:Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J.
Deposit date:2016-09-12
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
8DGM
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BU of 8dgm by Molmil
14-3-3 epsilon bound to phosphorylated PEAK1 (pT1165) peptide
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Inactive tyrosine-protein kinase PEAK1
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8Q1J
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BU of 8q1j by Molmil
LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
Authors:Barone, M, Mattevi, A.
Deposit date:2023-07-31
Release date:2024-05-15
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
5LWH
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BU of 5lwh by Molmil
CeuE (Y288F variant) a periplasmic protein from Campylobacter jejuni.
Descriptor: Enterochelin ABC transporter substrate-binding protein, ZINC ION
Authors:Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J, Duhme-Klair, A.-K, Wilson, K.S.
Deposit date:2016-09-16
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
5FKB
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BU of 5fkb by Molmil
Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with 1-Kestose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-FRUCTOFURANOSIDASE, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2015-10-15
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity
J.Biol.Chem., 291, 2016
6M3V
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BU of 6m3v by Molmil
355 bp di-nucleosome harboring cohesive DNA termini
Descriptor: CALCIUM ION, DNA (355-MER), Histone H2A type 1-B/E, ...
Authors:Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A.
Deposit date:2020-03-04
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:Near-atomic resolution structures of interdigitated nucleosome fibres.
Nat Commun, 11, 2020
8DGO
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BU of 8dgo by Molmil
Growth Factor Receptor-Bound Protein 2 (Grb2) bound to phosphorylated PEAK3 (pY24) peptide
Descriptor: Growth factor receptor bound protein 2, Phosphorylated PEAK3 (pY24) peptide
Authors:Roy, M.J, Hardy, J.M, Lucet, I.S.
Deposit date:2022-06-24
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
7X87
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BU of 7x87 by Molmil
The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with sophotetraose observed as sophorose
Descriptor: Beta-galactosidase, CALCIUM ION, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose
Authors:Kobayashi, K, Shimizu, H, Tanaka, N, Kuramochi, K, Nakai, H, Nakajima, M, Taguchi, H.
Deposit date:2022-03-11
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Characterization and structural analyses of a novel glycosyltransferase acting on the beta-1,2-glucosidic linkages.
J Biol Chem, 298, 2022
5WGV
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BU of 5wgv by Molmil
Crystal Structure of MalA' C112S/C128S, premalbrancheamide complex
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5FT0
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BU of 5ft0 by Molmil
Crystal structure of gp37(Dip) from bacteriophage phiKZ
Descriptor: ARGININE, GP37, POTASSIUM ION
Authors:Van den Bossche, A, Hardwick, S.W, Ceyssens, P.J, Hendrix, H, Voet, M, Dendooven, T, Bandyra, K.J, De Maeyer, M, Aertsen, A, Noben, J.P, Luisi, B.F, Lavigne, R.
Deposit date:2016-01-08
Release date:2016-08-03
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural elucidation of a novel mechanism for the bacteriophage-based inhibition of the RNA degradosome.
Elife, 5, 2016
7XGC
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BU of 7xgc by Molmil
Crystal structure of influenza polymerase acidic subunit N-terminal domain crystallized by ammonium sulfate with glycan
Descriptor: MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION
Authors:Guo, Y, Hoshino, T.
Deposit date:2022-04-04
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Influence of Glycan Agents on Protein Crystallization with Ammonium Sulfate
Cryst.Growth Des., 2022
5LUB
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BU of 5lub by Molmil
Crystal structure of human legumain (AEP) in complex with compound 11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, ...
Authors:Dall, E, Ye, K, Brandstetter, H.
Deposit date:2016-09-08
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
5WMX
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BU of 5wmx by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.M.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
7XGQ
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BU of 7xgq by Molmil
Crystal structure of chitosanase crystallized by ammonium sulfate with glycan
Descriptor: chitosanase
Authors:Guo, Y, Hoshino, T.
Deposit date:2022-04-05
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Influence of Glycan Agents on Protein Crystallization with Ammonium Sulfate
Cryst.Growth Des., 2022
6LM1
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BU of 6lm1 by Molmil
The crystal structure of cyanorhodopsin (CyR) N4075R from cyanobacteria Tolypothrix sp. NIES-4075
Descriptor: DECANE, DODECANE, HEXADECANE, ...
Authors:Hosaka, T, Kimura-Someya, T, Shirouzu, M.
Deposit date:2019-12-24
Release date:2020-10-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A unique clade of light-driven proton-pumping rhodopsins evolved in the cyanobacterial lineage.
Sci Rep, 10, 2020
5WO3
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BU of 5wo3 by Molmil
Chaperone Spy bound to Im7 (Im7 un-modeled)
Descriptor: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5EF3
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BU of 5ef3 by Molmil
RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 25.0 MGy
Descriptor: (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRYPTOPHAN, Transcription attenuation protein MtrB
Authors:Bury, C.S, McGeehan, J.E, Garman, E.F, Shevtsov, M.B.
Deposit date:2015-10-23
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:RNA protects a nucleoprotein complex against radiation damage.
Acta Crystallogr D Struct Biol, 72, 2016
5LUZ
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BU of 5luz by Molmil
Structure of Human Neurolysin (E475Q) in complex with neurotensin peptide products
Descriptor: CHLORIDE ION, GLYCEROL, Neurolysin, ...
Authors:Masuyer, G, Berntsson, R.P.-A, Teixeira, P.F, Kmiec, B, Glaser, E, Stenmark, P.
Deposit date:2016-09-12
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of Peptide Binding and Cleavage by the Human Mitochondrial Peptidase Neurolysin.
J. Mol. Biol., 430, 2018
8PO3
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BU of 8po3 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
Descriptor: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024

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