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7U15
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TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type B case 2 (case 7).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
Authors:Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A.
Deposit date:2022-02-19
Release date:2022-03-23
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases.
Cell, 185, 2022
7U17
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BU of 7u17 by Molmil
TMEM106B(120-254) T185S singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type B case 2 (case 7).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
Authors:Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A.
Deposit date:2022-02-19
Release date:2022-03-23
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases.
Cell, 185, 2022
1HE3
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BU of 1he3 by Molmil
Human biliverdin IX beta reductase: NADP/mesobiliverdin IV alpha ternary complex
Descriptor: BILIVERDIN IX BETA REDUCTASE, MESOBILIVERDIN IV ALPHA, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Pereira, P.J.B, Macedo-Ribeiro, S, Parraga, A, Perez-Luque, R, Cunningham, O, Darcy, K, Mantle, T.J, Coll, M.
Deposit date:2000-11-18
Release date:2001-02-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Human Biliverdin Ix Beta Reductase, an Early Fetal Bilirubin Ix Producing Enzyme
Nat.Struct.Biol., 8, 2001
1GXS
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BU of 1gxs by Molmil
Crystal Structure of Hydroxynitrile Lyase from Sorghum bicolor in Complex with Inhibitor Benzoic Acid: a novel cyanogenic enzyme
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZOIC ACID, DECANOIC ACID, ...
Authors:Lauble, H, Miehlich, B, Foerster, S, Wajant, H, Effenberger, F.
Deposit date:2002-04-11
Release date:2002-10-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Hydroxynitrile Lyase from Sorghum Bicolor in Complex with the Inhibitor Benzoic Acid: A Novel Cyanogenic Enzyme
Biochemistry, 41, 2002
6TI2
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BU of 6ti2 by Molmil
Structure of the Ustilago maydis chorismate mutase 1 in complex with KWL1-b from Zea mays
Descriptor: Chromosome 16, whole genome shotgun sequence, Ripening-related protein 3
Authors:Altegoer, F, Bange, G.
Deposit date:2019-11-21
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The two paralogous kiwellin proteins KWL1 and KWL1-b from maize are structurally related and have overlapping functions in plant defense.
J.Biol.Chem., 295, 2020
5LB9
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BU of 5lb9 by Molmil
Structure of the T175V Etr1p mutant in the monoclinic form P21
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial, ...
Authors:Wagner, T, Rosenthal, R.G, Voegeli, B, Shima, S, Erb, T.J.
Deposit date:2016-06-15
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A conserved threonine prevents self-intoxication of enoyl-thioester reductases.
Nat. Chem. Biol., 13, 2017
8HXP
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BU of 8hxp by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(but-3-en-1-yl)thiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
7V07
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BU of 7v07 by Molmil
Band 3-I-TM local refinement from erythrocyte ankyrin-1 complex consensus reconstruction
Descriptor: Band 3 anion transport protein, CHOLESTEROL, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
Deposit date:2022-05-10
Release date:2022-07-20
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
7UZ3
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BU of 7uz3 by Molmil
Band 3-Glycophorin A complex, outward facing
Descriptor: Band 3 anion transport protein, CHOLESTEROL, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
Deposit date:2022-05-08
Release date:2022-07-20
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
6TOO
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BU of 6too by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 11a
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2019-12-11
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
8B7Y
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BU of 8b7y by Molmil
Cryo-EM structure of the E.coli 70S ribosome in complex with the antibiotic Myxovalargin B.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Koller, T.O, Graf, M, Wilson, D.N.
Deposit date:2022-10-03
Release date:2023-01-25
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition.
J.Am.Chem.Soc., 145, 2023
5ZMC
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BU of 5zmc by Molmil
Structural Basis for Reactivation of -146C>T Mutant TERT Promoter by cooperative binding of p52 and ETS1/2
Descriptor: DNA (5'-D(P*CP*GP*GP*GP*GP*AP*CP*CP*CP*GP*GP*AP*AP*GP*GP*G)-3'), DNA (5'-D(P*GP*CP*CP*CP*TP*TP*CP*CP*GP*GP*GP*TP*CP*CP*CP*C)-3'), Nuclear factor NF-kappa-B p100 subunit, ...
Authors:Xu, X, Bharath, S.R, Song, H.
Deposit date:2018-04-02
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural basis for reactivating the mutant TERT promoter by cooperative binding of p52 and ETS1.
Nat Commun, 9, 2018
1EFI
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BU of 1efi by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH PARA-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE
Descriptor: 4-aminophenyl alpha-D-galactopyranoside, PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN)
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2000-02-08
Release date:2000-02-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
5LRV
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BU of 5lrv by Molmil
Structure of Cezanne/OTUD7B OTU domain bound to Lys11-linked diubiquitin
Descriptor: GLYCEROL, OTU domain-containing protein 7B, PHOSPHATE ION, ...
Authors:Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
5LSB
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BU of 5lsb 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:2016-08-24
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of U2 snRNP SF3b components: Hsh49p in complex with Cus1p-binding domain.
RNA, 23, 2017
1EYZ
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BU of 1eyz by Molmil
STRUCTURE OF ESCHERICHIA COLI PURT-ENCODED GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE COMPLEXED WITH MG AND AMPPNP
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Thoden, J.B, Firestine, S, Nixon, A, Benkovic, S.J, Holden, H.M.
Deposit date:2000-05-09
Release date:2000-08-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular structure of Escherichia coli PurT-encoded glycinamide ribonucleotide transformylase.
Biochemistry, 39, 2000
4XCA
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BU of 4xca by Molmil
Crystal Structure of HygX from Streptomyces hygroscopicus with nickel and 2-oxoglutarate bound
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, CESIUM ION, ...
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-17
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
6XKT
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BU of 6xkt by Molmil
R. capsulatus cyt bc1 with both FeS proteins in c position (CIII2 c-c)
Descriptor: Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F.
Deposit date:2020-06-27
Release date:2020-12-30
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
7ABH
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BU of 7abh by Molmil
Human pre-Bact-2 spliceosome (SF3b/U2 snRNP portion)
Descriptor: Cell division cycle 5-like protein, DNA/RNA-binding protein KIN17, MINX M3 pre-mRNA, ...
Authors:Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R.
Deposit date:2020-09-07
Release date:2020-12-09
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation.
Science, 370, 2020
5LS6
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BU of 5ls6 by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor
Descriptor: 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ...
Authors:Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S.
Deposit date:2016-08-22
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
6XI0
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BU of 6xi0 by Molmil
R. capsulatus cyt bc1 (CIII2) at 3.3A
Descriptor: Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F.
Deposit date:2020-06-19
Release date:2020-12-30
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
8EGQ
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BU of 8egq by Molmil
Branched chain ketoacid dehydrogenase kinase complexes
Descriptor: (2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
Authors:Liu, S.
Deposit date:2022-09-13
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.955 Å)
Cite:Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
5ZWA
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BU of 5zwa by Molmil
Crystal structure of Pyridoxal kinase (PdxK) from Salmonella typhimurium in complex with ADP, PL-linked to Lys233 via Schiff base in protomer A and the product (PLP) in protomer B
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Deka, G, Benazir, J.F, Kalyani, J.N, Savithri, H.S, Murthy, M.R.N.
Deposit date:2018-05-14
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and functional studies on Salmonella typhimurium pyridoxal kinase: the first structural evidence for the formation of Schiff base with the substrate.
Febs J., 286, 2019
4XBZ
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BU of 4xbz by Molmil
Crystal Structure of EvdO1 from Micromonospora carbonacea var. aurantiaca
Descriptor: EvdO1, GLYCEROL, NICKEL (II) ION
Authors:McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
Deposit date:2014-12-17
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XNM
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BU of 4xnm by Molmil
Antibody Influenza H5 Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, H5.3 FAB Heavy Chain, H5.3 FAB Light Chain, ...
Authors:Winarski, K.L, Spiler, B.W.
Deposit date:2015-01-15
Release date:2015-07-15
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Vaccine-elicited antibody that neutralizes H5N1 influenza and variants binds the receptor site and polymorphic sites.
Proc.Natl.Acad.Sci.USA, 112, 2015

223790

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