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4URU
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BU of 4uru by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
6ERC
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BU of 6erc by Molmil
Peroxidase A from Dictyostelium discoideum (DdPoxA)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nicolussi, A, Mlynek, G, Furtmueller, P.G, Djinovic-Carugo, K, Obinger, C.
Deposit date:2017-10-17
Release date:2017-12-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.50001836 Å)
Cite:Secreted heme peroxidase from Dictyostelium discoideum: Insights into catalysis, structure, and biological role.
J. Biol. Chem., 293, 2018
4UCT
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BU of 4uct by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
7DEY
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BU of 7dey by Molmil
Structure of Dicer from Pichia stipitis
Descriptor: RNase III
Authors:Jobichen, C, Jingru, C.
Deposit date:2020-11-05
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.897 Å)
Cite:Structural and mechanistic insight into stem-loop RNA processing by yeast Pichia stipitis Dicer.
Protein Sci., 30, 2021
4UCU
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BU of 4ucu by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCS
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BU of 4ucs by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCO
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BU of 4uco by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCV
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BU of 4ucv by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCR
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BU of 4ucr by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UN2
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BU of 4un2 by Molmil
Crystal structure of the UBA domain of Dsk2 in complex with Ubiquitin
Descriptor: UBIQUITIN, UBIQUITIN DOMAIN-CONTAINING PROTEIN DSK2
Authors:Michielssens, S, Peters, J.H, Ban, D, Pratihar, S, Seeliger, D, Sharma, M, Giller, K, Sabo, T.M, Becker, S, Lee, D, Griesinger, C, de Groot, B.L.
Deposit date:2014-05-23
Release date:2014-08-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A Designed Conformational Shift to Control Protein Binding Specificity.
Angew.Chem.Int.Ed.Engl., 53, 2014
4V9Q
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BU of 4v9q by Molmil
Crystal Structure of Blasticidin S Bound to Thermus Thermophilus 70S Ribosome.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svidritskiy, E, Ling, C, Ermolenko, D.N, Korostelev, A.A.
Deposit date:2013-06-12
Release date:2014-07-09
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Blasticidin S inhibits translation by trapping deformed tRNA on the ribosome.
Proc.Natl.Acad.Sci.USA, 110, 2013
7RUM
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BU of 7rum by Molmil
Endolysin from Escherichia coli O157:H7 phage FTEbC1, LysT84
Descriptor: Endolysin, GLYCEROL
Authors:Love, M.J, Billington, C, Dobson, R.C.J.
Deposit date:2021-08-17
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The structure and function of modular Escherichia coli O157:H7 bacteriophage FTBEc1 endolysin, LysT84: defining a new endolysin catalytic subfamily.
Biochem.J., 479, 2022
4P7O
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BU of 4p7o by Molmil
Structure of Escherichia coli PgaB C-terminal domain, P1 crystal form
Descriptor: Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
Authors:Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L.
Deposit date:2014-03-27
Release date:2014-07-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P7Q
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BU of 4p7q by Molmil
Structure of Escherichia coli PgaB C-terminal domain in complex with N-acetylglucosamine
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
Authors:Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L.
Deposit date:2014-03-27
Release date:2014-07-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P7R
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BU of 4p7r by Molmil
Structure of Escherichia coli PgaB C-terminal domain in complex with a poly-beta-1,6-N-acetyl-D-glucosamine (PNAG) hexamer
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
Authors:Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L.
Deposit date:2014-03-27
Release date:2014-07-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P7N
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BU of 4p7n by Molmil
Structure of Escherichia coli PgaB C-terminal domain in complex with glucosamine
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
Authors:Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L.
Deposit date:2014-03-27
Release date:2014-07-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine.
Proc.Natl.Acad.Sci.USA, 111, 2014
5JII
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BU of 5jii by Molmil
Crystal structure of human IgG1-Fc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ig gamma-1 chain C region, ...
Authors:Humm, A, Lobner, E, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-04-22
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fcab-HER2 Interaction: a Menage a Trois. Lessons from X-Ray and Solution Studies.
Structure, 25, 2017
5JIK
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BU of 5jik by Molmil
Crystal structure of HER2 binding IgG1-Fc (Fcab H10-03-6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Humm, A, Lobner, E, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-04-22
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fcab-HER2 Interaction: a Menage a Trois. Lessons from X-Ray and Solution Studies.
Structure, 25, 2017
5JDP
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BU of 5jdp by Molmil
E73V mutant of the human voltage-dependent anion channel
Descriptor: Voltage-dependent anion-selective channel protein 1
Authors:Jaremko, M, Jaremko, L, Villinger, S, Schmidt, C, Giller, K, Griesinger, C, Becker, S, Zweckstetter, M.
Deposit date:2016-04-17
Release date:2016-08-10
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:High-Resolution NMR Determination of the Dynamic Structure of Membrane Proteins.
Angew.Chem.Int.Ed.Engl., 55, 2016
5K33
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BU of 5k33 by Molmil
Crystal structure of extracellular domain of HER2 in complex with Fcab STAB19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ig gamma-1 chain C region, ...
Authors:Humm, A, Lobner, E, Goritzer, K, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-05-19
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Fcab-HER2 Interaction: a Menage a Trois. Lessons from X-Ray and Solution Studies.
Structure, 25, 2017
6PYT
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BU of 6pyt by Molmil
CryoEM Structure of Pyocin R2 - precontracted - trunk
Descriptor: Pyocin sheath PA0622, Pyocin tube PA0623
Authors:Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H.
Deposit date:2019-07-30
Release date:2020-04-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
5JIH
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BU of 5jih by Molmil
Crystal structure of HER2 binding IgG1-Fc (Fcab STAB19)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Humm, A, Lobner, E, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-04-22
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.663 Å)
Cite:Fcab-HER2 Interaction: a Menage a Trois. Lessons from X-Ray and Solution Studies.
Structure, 25, 2017
4QNL
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BU of 4qnl by Molmil
Crystal structure of tail fiber protein gp63.1 from E. coli phage G7C
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Riccio, C, Browning, C, Prokhorov, N, Letarov, A, Leiman, P.G.
Deposit date:2014-06-18
Release date:2015-06-24
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (2.411 Å)
Cite:Function of bacteriophage G7C esterase tailspike in host cell adsorption.
Mol. Microbiol., 105, 2017
5JHX
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BU of 5jhx by Molmil
Crystal Structure of Fungal MagKatG2 at pH 3.0
Descriptor: CITRATE ANION, Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gasselhuber, B, Obinger, C, Carpena, X.
Deposit date:2016-04-21
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Interaction with the Redox Cofactor MYW and Functional Role of a Mobile Arginine in Eukaryotic Catalase-Peroxidase.
Biochemistry, 55, 2016
5JHY
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BU of 5jhy by Molmil
Crystal Structure of Fungal MagKatG2 at pH 5.5
Descriptor: Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gasselhuber, B, Obinger, C, Carpena, X.
Deposit date:2016-04-21
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Interaction with the Redox Cofactor MYW and Functional Role of a Mobile Arginine in Eukaryotic Catalase-Peroxidase.
Biochemistry, 55, 2016

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