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5TMA
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BU of 5tma by Molmil
Zymomonas mobilis pyruvate decarboxylase mutant PDC-2.3
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Pyruvate decarboxylase, ...
著者Alahuhta, P.M, Lunin, V.V.
登録日2016-10-12
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献An iterative computational design approach to increase the thermal endurance of a mesophilic enzyme.
Biotechnol Biofuels, 11, 2018
1K88
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BU of 1k88 by Molmil
Crystal structure of procaspase-7
分子名称: procaspase-7
著者Chai, J, Wu, Q, Shiozaki, E, Srinivasa, S.M, Alnemri, E.S, Shi, Y.
登録日2001-10-23
公開日2001-11-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a procaspase-7 zymogen: mechanisms of activation and substrate binding
Cell(Cambridge,Mass.), 107, 2001
5TVY
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BU of 5tvy by Molmil
Computationally Designed Fentanyl Binder - Fen49
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Endo-1,4-beta-xylanase A
著者Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D.
登録日2016-11-10
公開日2017-10-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
6Y0W
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BU of 6y0w by Molmil
Fucosylated antimicrobial linear peptide cFucRH46D in complex with the fucose binding lectin LecB from Pseudomonas aeruginosa at 2.1 Angstrom resolution
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ...
著者Baeriswyl, S, Stocker, A, Reymond, J.-L.
登録日2020-02-10
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fucosylated antimicrobial linear peptide cFucRH46D in complex with the fucose binding lectin LecB from Pseudomonas aeruginosa at 2.1 Angstrom resolution
To Be Published
6Y0X
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BU of 6y0x by Molmil
Fucosylated antimicrobial peptide SB6 in complex with the lectin LecRSL from Ralstonia solanacearum at 2.4 Angstrom resolution
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, D-LYSINE, Fucose-binding lectin protein, ...
著者Baeriswyl, S, Stocker, A, Reymond, J.-L.
登録日2020-02-10
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.425 Å)
主引用文献Fucosylated antimicrobial peptide SB6 in complex with the lectin LecRSL from Ralstonia solanacearum at 2.4 Angstrom resolution
To Be Published
6FG4
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BU of 6fg4 by Molmil
Crystal Structure of the Amyloid-like IIKVIK Segment from the S. aureus Biofilm-associated PSMalpha1
分子名称: Phenol-soluble modulin alpha 1 peptide, SULFATE ION
著者Landau, M, Colletier, J.-P.
登録日2018-01-09
公開日2018-08-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Extreme amyloid polymorphism in Staphylococcus aureus virulent PSM alpha peptides.
Nat Commun, 9, 2018
6FGR
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BU of 6fgr by Molmil
Crystal Structure of the Amyloid-like IIKIIK Segment from the S. aureus Biofilm-associated PSMalpha4
分子名称: 1,2-ETHANEDIOL, Psm alpha-4, SULFATE ION
著者Landau, M, Colletier, J.-P.
登録日2018-01-11
公開日2018-08-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Extreme amyloid polymorphism in Staphylococcus aureus virulent PSM alpha peptides.
Nat Commun, 9, 2018
3SDK
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BU of 3sdk by Molmil
Structure of yeast 20S open-gate proteasome with Compound 34
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(2S)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide, ...
著者Sintchak, M.D.
登録日2011-06-09
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome.
Bioorg.Med.Chem.Lett., 20, 2010
5UK2
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BU of 5uk2 by Molmil
CryoEM structure of an influenza virus receptor-binding site antibody-antigen interface - Class 4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
著者Liu, Y, Pan, J, Caradonna, T, Jenni, S, Raymond, D.D, Schmidt, A.G, Harrison, S.C, Grigorieff, N.
登録日2017-01-19
公開日2017-05-31
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface.
J. Mol. Biol., 429, 2017
5UJZ
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BU of 5ujz by Molmil
CryoEM structure of an influenza virus receptor-binding site antibody-antigen interface - Class 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
著者Liu, Y, Pan, J, Caradonna, T, Jenni, S, Raymond, D.D, Schmidt, A.G, Harrison, S.C, Grigorieff, N.
登録日2017-01-19
公開日2017-05-31
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface.
J. Mol. Biol., 429, 2017
4WQP
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BU of 4wqp by Molmil
Crystal structure of RORc in complex with a benzyl sulfonamide inverse agonist
分子名称: N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma, SULFATE ION, ...
著者Boenig, G, Hymowitz, S.G.
登録日2014-10-22
公開日2015-01-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.
Acs Med.Chem.Lett., 6, 2015
8OPC
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BU of 8opc by Molmil
Virus-like Particle based on PVY coat protein with helical architecture encapsidating ssRNA
分子名称: Genome polyprotein (Fragment), RNA (5'-R(P*UP*UP*UP*UP*U)-3')
著者Kavcic, L, Kezar, A, Podobnik, M.
登録日2023-04-07
公開日2024-01-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
8OPJ
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BU of 8opj by Molmil
Global refinement of cubic assembly from truncated PVY coat protein with K176C mutation
分子名称: Genome polyprotein (Fragment)
著者Kavcic, L, Kezar, A, Podobnik, M.
登録日2023-04-07
公開日2024-01-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
8OPG
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BU of 8opg by Molmil
Virus-like Particle based on PVY coat protein with dC79 deletion with RNA-free helical architecture
分子名称: Genome polyprotein (Fragment)
著者Kavcic, L, Kezar, A, Podobnik, M.
登録日2023-04-07
公開日2024-01-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
6FNV
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BU of 6fnv by Molmil
Solution structure of mule deer prion protein with polymorphism S138
分子名称: Major prion protein
著者Slapsak, U, Ilc, G, Plavec, J.
登録日2018-02-05
公開日2019-08-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of mule deer prion protein with polymorphism S138
To Be Published
8OPD
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BU of 8opd by Molmil
Virus-like Particle based on PVY coat protein with dC40 deletion with stacked-ring architecture
分子名称: Genome polyprotein (Fragment)
著者Kavcic, L, Kezar, A, Podobnik, M.
登録日2023-04-07
公開日2024-01-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
8OPL
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BU of 8opl by Molmil
Virus-like Particle based on PVY coat protein with T43C and D136C mutation with helical architecture encapsidating ssRNA
分子名称: Genome polyprotein (Fragment), RNA (5'-R(P*UP*UP*UP*UP*U)-3')
著者Kavcic, L, Kezar, A, Podobnik, M.
登録日2023-04-07
公開日2024-01-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
6G4Z
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BU of 6g4z by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f
分子名称: 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14
著者Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G.
登録日2018-03-28
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
8OPB
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BU of 8opb by Molmil
Virus-like Particle based on PVY coat protein with RNA-free helical architecture
分子名称: Genome polyprotein (Fragment)
著者Kavcic, L, Kezar, A, Podobnik, M.
登録日2023-04-07
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
6G4Y
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BU of 6g4y by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a
分子名称: 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Hole, A.J, Hymowitz, S.G, McEwan, P.A.
登録日2018-03-28
公開日2018-07-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
5UK0
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BU of 5uk0 by Molmil
CryoEM structure of an influenza virus receptor-binding site antibody-antigen interface - Class 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
著者Liu, Y, Pan, J, Caradonna, T, Jenni, S, Raymond, D.D, Schmidt, A.G, Harrison, S.C, Grigorieff, N.
登録日2017-01-19
公開日2017-05-31
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface.
J. Mol. Biol., 429, 2017
6XPI
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BU of 6xpi by Molmil
CutR flat hexamer, form 1
分子名称: Ethanolamine utilization protein EutS
著者Ochoa, J.M, Sawaya, M.R, Nguyen, V.N, Duilio, C, Yeates, T.O.
登録日2020-07-08
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Symmetry breaking and structural polymorphism in a bacterial microcompartment shell protein for choline utilization.
Protein Sci., 29, 2020
6XPJ
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CutR flat hexamer, form 2
分子名称: Ethanolamine utilization protein EutS, SULFATE ION
著者Ochoa, J.M, Sawaya, M.R, Nguyen, V.N, Duilio, C, Yeates, T.O.
登録日2020-07-08
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Symmetry breaking and structural polymorphism in a bacterial microcompartment shell protein for choline utilization.
Protein Sci., 29, 2020
5UK1
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BU of 5uk1 by Molmil
CryoEM structure of an influenza virus receptor-binding site antibody-antigen interface - Class 3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
著者Liu, Y, Pan, J, Caradonna, T, Jenni, S, Raymond, D.D, Schmidt, A.G, Harrison, S.C, Grigorieff, N.
登録日2017-01-19
公開日2017-05-31
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface.
J. Mol. Biol., 429, 2017
8BXU
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BU of 8bxu by Molmil
Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with MPD (2-Methyl-2,4-pentanediol)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-ETHOXYETHANOL, Odorant binding protein, ...
著者Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E.
登録日2022-12-09
公開日2023-03-22
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Int.J.Biol.Macromol., 237, 2023

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