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5BMG
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BU of 5bmg by Molmil
Nitroxide Spin Labels in Protein GB1: E15 Mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Immunoglobulin G-binding protein G, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Cunningham, T.C, Horne, W.S, Saxena, S.
登録日2015-05-22
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rotameric preferences of a protein spin label at edge-strand beta-sheet sites.
Protein Sci., 25, 2016
6OLN
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BU of 6oln by Molmil
Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled-Coil Peptides: Orthorhombic Lattice from a Trimeric Coiled Coil
分子名称: CHLORIDE ION, COPPER (II) ION, Designed trimeric coiled coil peptide
著者Scheib, K.A, Horne, W.S.
登録日2019-04-16
公開日2020-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Understanding and controlling the metal-directed assembly of terpyridine-functionalized coiled-coil peptides.
Chem.Commun.(Camb.), 55, 2019
5DIC
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BU of 5dic by Molmil
Fatty acid binding protein OBP56a from the oral disk of the blowfly Phormia regina
分子名称: Odorant-binding protein, PALMITIC ACID
著者Ishida, Y, Leal, W.S, Wilson, D.K.
登録日2015-08-31
公開日2016-10-05
実験手法X-RAY DIFFRACTION (1.185 Å)
主引用文献In preparation
To Be Published
5DQV
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BU of 5dqv by Molmil
The crystal structure of Bacillus subtilis YpgQ
分子名称: NICKEL (II) ION, Uncharacterized protein
著者Jeon, Y.J, Song, W.S, Yoon, S.I.
登録日2015-09-15
公開日2016-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and biochemical characterization of bacterial YpgQ protein reveals a metal-dependent nucleotide pyrophosphohydrolase
J.Struct.Biol., 195, 2016
5DQW
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BU of 5dqw by Molmil
The crystal structure of Bacillus subtilis YpgQ in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, NICKEL (II) ION, Uncharacterized protein
著者Jeon, Y.J, Song, W.S, Yoon, S.I.
登録日2015-09-15
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and biochemical characterization of bacterial YpgQ protein reveals a metal-dependent nucleotide pyrophosphohydrolase
J.Struct.Biol., 195, 2016
2OXJ
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BU of 2oxj by Molmil
Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers: GCN4-p1 with beta-residues at b and f heptad positions.
分子名称: ACETATE ION, hybrid alpha/beta peptide based on the GCN4-p1 sequence; heptad positions b and f substituted with beta-amino acids
著者Horne, W.S, Price, J.L, Keck, J.L, Gellman, S.H.
登録日2007-02-20
公開日2007-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers.
J.Am.Chem.Soc., 129, 2007
3O3Y
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BU of 3o3y by Molmil
A chimeric alpha+alpha/beta peptide based on the CHR domain sequence of gp41
分子名称: CHLORIDE ION, chimeric alpha+alpha/beta peptide based on the CHR domain sequence of gp41
著者Horne, W.S, Johnson, L.M, Gellman, S.H.
登録日2010-07-26
公開日2011-08-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Chimeric and Non-Chimeric Foldamer Mimics of the CHR Segment of HIV Protein gp41: Evidence for the Importance of a Large Binding Interface in Six-Helix Bundle Formation
To be Published
2OXK
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BU of 2oxk by Molmil
Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers: GCN4-pLI with beta-residues at b and f heptad positions.
分子名称: FORMIC ACID, hybrid alpha/beta peptide based on the GCN4-pLI sequence; heptad positions b and f substituted with beta-amino acids
著者Horne, W.S, Price, J.L, Keck, J.L, Gellman, S.H.
登録日2007-02-20
公開日2007-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers.
J.Am.Chem.Soc., 129, 2007
6CU7
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BU of 6cu7 by Molmil
Alpha Synuclein fibril formed by full length protein - Rod Polymorph
分子名称: Alpha-synuclein
著者Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
登録日2018-03-23
公開日2018-09-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
6D08
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BU of 6d08 by Molmil
Crystal structure of an engineered bump-hole complex of mutant human chromobox homolog 1 (CBX1) with H3K9bn peptide
分子名称: Chromobox protein homolog 1, GLYCEROL, Histone H3.1, ...
著者Arora, S, Horne, W.S, Islam, K.
登録日2018-04-10
公開日2019-04-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Engineering Methyllysine Writers and Readers for Allele-Specific Regulation of Protein-Protein Interactions.
J.Am.Chem.Soc., 141, 2019
6CU8
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BU of 6cu8 by Molmil
Alpha Synuclein fibril formed by full length protein - Twister Polymorph
分子名称: Alpha-synuclein
著者Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
登録日2018-03-23
公開日2018-09-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
6D07
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BU of 6d07 by Molmil
Crystal structure of the complex between human chromobox homolog 1 (CBX1) and H3K9me3 peptide
分子名称: Chromobox protein homolog 1, GLYCEROL, Histone H3.1
著者Arora, S, Horne, W.S, Islam, K.
登録日2018-04-10
公開日2019-04-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Engineering Methyllysine Writers and Readers for Allele-Specific Regulation of Protein-Protein Interactions.
J.Am.Chem.Soc., 141, 2019
3OY3
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BU of 3oy3 by Molmil
Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589
分子名称: 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide, Tyrosine-protein kinase ABL1
著者Zhou, T, Commodore, L, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X.
登録日2010-09-22
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
2PP3
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BU of 2pp3 by Molmil
Crystal structure of L-talarate/galactarate dehydratase mutant K197A liganded with Mg and L-glucarate
分子名称: L-GLUCARIC ACID, L-talarate/galactarate dehydratase, MAGNESIUM ION
著者Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C.
登録日2007-04-27
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2.
Biochemistry, 46, 2007
6H2B
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BU of 6h2b by Molmil
Structure of the Macrobrachium rosenbergii Nodavirus
分子名称: CALCIUM ION, Capsid protein
著者Ho, K.H, Gabrielsen, M, Beh, P.L, Kueh, C.L, Thong, Q.X, Streetley, J, Tan, W.S, Bhella, D.
登録日2018-07-13
公開日2018-10-31
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structure of the Macrobrachium rosenbergii nodavirus: A new genus within the Nodaviridae?
PLoS Biol., 16, 2018
2PP1
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BU of 2pp1 by Molmil
Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2 liganded with Mg and L-lyxarohydroxamate
分子名称: (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID, L-talarate/galactarate dehydratase, MAGNESIUM ION
著者Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C.
登録日2007-04-27
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2.
Biochemistry, 46, 2007
3OXZ
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BU of 3oxz by Molmil
Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1
著者Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X.
登録日2010-09-22
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
2PP0
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BU of 2pp0 by Molmil
Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2
分子名称: GLYCEROL, L-talarate/Galactarate Dehydratase
著者Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C.
登録日2007-04-27
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2.
Biochemistry, 46, 2007
6D9F
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BU of 6d9f by Molmil
Protein 60 with aldehyde deformylating oxidase activity from Kitasatospora setae
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Putative VlmB homolog, ...
著者Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B.
登録日2018-04-28
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery, Design, and Structural Characterization of Alkane-Producing Enzymes across the Ferritin-like Superfamily.
Biochemistry, 59, 2020
2QIJ
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BU of 2qij by Molmil
Hepatitis B Capsid Protein with an N-terminal extension modelled into 8.9 A data.
分子名称: Core antigen
著者Tan, W.S, McNae, I.W, Ho, K.L, Walkinshaw, M.D.
登録日2007-07-04
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (8.9 Å)
主引用文献Crystallization and X-ray analysis of the T = 4 particle of hepatitis B capsid protein with an N-terminal extension.
Acta Crystallogr.,Sect.F, 63, 2007
6E5K
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BU of 6e5k by Molmil
Heterogeneous-Backbone Mimics of a Designed Disulfide-Rich Protein: Aib turn, Aib helix, N-methyl hairpin
分子名称: Designed peptide NC_HEE_D1: Aib turn, Aib helix, N-methyl hairpin mutant
著者Cabalteja, C.C, Mihalko, D.S, Horne, W.S.
登録日2018-07-20
公開日2018-11-21
最終更新日2020-01-01
実験手法SOLUTION NMR
主引用文献Heterogeneous-Backbone Foldamer Mimics of a Computationally Designed, Disulfide-Rich Miniprotein.
Chembiochem, 20, 2019
6E5I
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BU of 6e5i by Molmil
Heterogeneous-Backbone Mimics of a Designed Disulfide-Rich Protein: Orn turn
分子名称: Designed peptide NC_HEE_D1: Orn turn mutant
著者Cabalteja, C.C, Mihalko, D.S, Horne, W.S.
登録日2018-07-20
公開日2018-11-21
最終更新日2020-01-01
実験手法SOLUTION NMR
主引用文献Heterogeneous-Backbone Foldamer Mimics of a Computationally Designed, Disulfide-Rich Miniprotein.
Chembiochem, 20, 2019
6E5J
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BU of 6e5j by Molmil
Heterogeneous-Backbone Mimics of a Designed Disulfide-Rich Protein: Aib turn, beta3 helix, N-methyl hairpin
分子名称: Designed peptide NC_HEE_D1: Aib turn, beta3 helix, N-methyl hairpin mutant
著者Cabalteja, C.C, Mihalko, D.S, Horne, W.S.
登録日2018-07-20
公開日2018-11-21
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Heterogeneous-Backbone Foldamer Mimics of a Computationally Designed, Disulfide-Rich Miniprotein.
Chembiochem, 20, 2019
6E5H
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BU of 6e5h by Molmil
Heterogeneous-Backbone Mimics of a Designed Disulfide-Rich Protein: Aib turn
分子名称: Designed peptide NC_HEE_D1: Aib turn mutant
著者Cabalteja, C.C, Mihalko, D.S, Horne, W.S.
登録日2018-07-20
公開日2018-11-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Heterogeneous-Backbone Foldamer Mimics of a Computationally Designed, Disulfide-Rich Miniprotein.
Chembiochem, 20, 2019
6IRP
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BU of 6irp by Molmil
Crystal structure of HigA from Shigella flexneri
分子名称: Antitoxin HigA
著者Yoon, W.S, Seok, S.H, Seo, M.D.
登録日2018-11-14
公開日2019-09-04
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Structural changes of antitoxin HigA from Shigella flexneri by binding of its cognate toxin HigB.
Int.J.Biol.Macromol., 130, 2019

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