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5EIL
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BU of 5eil by Molmil
Computational design of a high-affinity metalloprotein homotrimer containing a metal chelating non-canonical amino acid
分子名称: FE (III) ION, TRI-05
著者Sankaran, B, Zwart, P.H, Mills, J.H, Pereira, J.H, Baker, D.
登録日2015-10-30
公開日2016-11-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computational design of a homotrimeric metalloprotein with a trisbipyridyl core.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5H1H
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BU of 5h1h by Molmil
NMR structure of SLBA, a chimera of SFTI
分子名称: Bradykinin-trypsin inhibitor secondary loop chimera
著者Xiao, T, Tam, J.P.
登録日2016-10-10
公開日2017-04-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor.
J. Med. Chem., 60, 2017
5H1I
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BU of 5h1i by Molmil
NMR structure of TIBA, a chimera of SFTI
分子名称: Bradykinin-trypsin inhibitor secondary loop chimera
著者Xiao, T, Tam, J.P.
登録日2016-10-10
公開日2017-04-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor.
J. Med. Chem., 60, 2017
8BL9
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BU of 8bl9 by Molmil
Crystal Structure of Sam0.7
分子名称: Sam0.7
著者Maksymenko, K, ElGamacy, M, Hartmann, M.D.
登録日2022-11-09
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Sam0.7
To Be Published
8BL5
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BU of 8bl5 by Molmil
Crystal Structure of Sam0.2
分子名称: Sam0.2
著者Maksymenko, K, ElGamacy, M, Hartmann, M.D.
登録日2022-11-09
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal Structure of Sam0.2
To Be Published
4H7R
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BU of 4h7r by Molmil
Crystal structure of a parallel 4-helix coiled coil CC-Hex-II
分子名称: 1,4-DIETHYLENE DIOXIDE, CC-Hex-II, GLYCEROL
著者Chi, B, Zaccai, N.R, Brady, R.L, Woolfson, D.N.
登録日2012-09-20
公開日2014-02-05
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献TBA
To be Published
5HFY
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BU of 5hfy by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-2-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35
分子名称: Immunoglobulin G-binding protein G
著者Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
登録日2016-01-07
公開日2016-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
5HG2
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BU of 5hg2 by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-2-Asn35
分子名称: GLYCEROL, Immunoglobulin G-binding protein G, MAGNESIUM ION
著者Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
登録日2016-01-07
公開日2016-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
5HOX
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BU of 5hox by Molmil
X-ray crystallographic structure of an A-beta 17_36 beta-hairpin. Synchrotron data set. (LVFFAEDCGSNKCAII(SAR)LMV).
分子名称: Amyloid beta A4 protein, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
著者Kreutzer, A.G, Nowick, J.S, Spencer, R.K.
登録日2016-01-19
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray Crystallographic Structures of a Trimer, Dodecamer, and Annular Pore Formed by an A beta 17-36 beta-Hairpin.
J.Am.Chem.Soc., 138, 2016
5HPN
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BU of 5hpn by Molmil
A circularly permuted PduA forming an icosahedral cage
分子名称: Permuted PduA, SULFATE ION
著者Leibly, D.J, Jorda, J, Yeates, T.O.
登録日2016-01-20
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.509 Å)
主引用文献Structure of a novel 13 nm dodecahedral nanocage assembled from a redesigned bacterial microcompartment shell protein.
Chem.Commun.(Camb.), 52, 2016
5HRY
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BU of 5hry by Molmil
Computationally Designed Cyclic Dimer ank3C2_1
分子名称: ank3C2_1
著者Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O.
登録日2016-01-24
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
5E5V
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BU of 5e5v by Molmil
Structure of amyloid forming peptide NFGAILS (residues 22-28) from Islet Amyloid Polypeptide
分子名称: NFGAILS (22-28) from islet amyloid polypeptide, synthesized
著者Soriaga, A.B, Macdonald, R, Sawaya, M.R, Sangwan, S, Eisenberg, D.
登録日2015-10-09
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal Structures of IAPP Amyloidogenic Segments Reveal a Novel Packing Motif of Out-of-Register Beta Sheets.
J.Phys.Chem.B, 120, 2016
5E5Z
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BU of 5e5z by Molmil
Structure of the amyloid forming peptide LVHSSN (residues
分子名称: LVHSSN (residues 16-21) from islet amyloid polypeptide
著者Soriaga, A.B, Eisenberg, D.
登録日2015-10-09
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.664 Å)
主引用文献Crystal Structures of IAPP Amyloidogenic Segments Reveal a Novel Packing Motif of Out-of-Register Beta Sheets.
J.Phys.Chem.B, 120, 2016
5HPP
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BU of 5hpp by Molmil
Crystal structure of a macrocyclic beta-sheet peptide derived from transthyretin (106-121) - (ORN)TIA(MAA)LLS(ORN)S(PHI)STTAV
分子名称: CHLORIDE ION, ORN-THR-ILE-ALA-MAA-LEU-LEU-SER-ORN-SER-PHI-SER-THR-THR-ALA-VAL
著者Yoo, S, Kreutzer, A.G, Nowick, J.S.
登録日2016-01-20
公開日2016-08-10
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.082 Å)
主引用文献Square channels formed by a peptide derived from transthyretin.
Chem Sci, 7, 2016
5HI1
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BU of 5hi1 by Molmil
Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35
分子名称: ACETATE ION, Immunoglobulin G-binding protein G
著者Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
登録日2016-01-11
公開日2016-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
2LNY
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BU of 2lny by Molmil
ShB peptide structure bound to negatively charged lipid-bilayer after Molecular Dynamics refinement
分子名称: ShB peptide
著者Weingarth, M.
登録日2012-01-06
公開日2012-08-08
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Supramolecular structure of membrane-associated polypeptides by combining solid-state NMR and molecular dynamics simulations.
Biophys.J., 103, 2012
7Q5R
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BU of 7q5r by Molmil
Protein community member pyruvate dehydrogenase complex E2 core from C. thermophilum
分子名称: Acetyltransferase component of pyruvate dehydrogenase complex
著者Chojnowski, G, Skalidis, I, Kyrilis, F.L, Tueting, C, Hamdi, F, Kastritis, P.L.
登録日2021-11-04
公開日2022-02-02
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Cryo-EM and artificial intelligence visualize endogenous protein community members.
Structure, 30, 2022
7Q5Q
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BU of 7q5q by Molmil
Protein community member oxoglutarate dehydrogenase complex E2 core from C. thermophilum
分子名称: Dihydrolipoyllysine-residue succinyltransferase
著者Chojnowski, G, Skalidis, I, Kyrilis, F.L, Tueting, C, Hamdi, F, Kastritis, P.L.
登録日2021-11-04
公開日2022-02-02
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (4.38 Å)
主引用文献Cryo-EM and artificial intelligence visualize endogenous protein community members.
Structure, 30, 2022
7Q5S
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BU of 7q5s by Molmil
Protein community member fatty acid synthase complex from C. thermophilum
分子名称: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase, 3-oxoacyl-[acyl-carrier-protein] reductase
著者Chojnowski, G, Skalidis, I, Kyrilis, F.L, Tueting, C, Hamdi, F, Kastritis, P.L.
登録日2021-11-04
公開日2022-02-02
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (4.47 Å)
主引用文献Cryo-EM and artificial intelligence visualize endogenous protein community members.
Structure, 30, 2022
4QFV
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BU of 4qfv by Molmil
Crystal structure of a unique ankyrin
分子名称: ACETATE ION, ANK-N5C-281
著者Ethayathulla, A.S, Tikhonova, E.B, Guan, L.
登録日2014-05-21
公開日2015-05-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献A transcription blocker isolated from a designed repeat protein combinatorial library by in vivo functional screen.
Sci Rep, 5, 2015
6ANM
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BU of 6anm by Molmil
Structure of D-Leu-D-Phe-2-Abz-D-Ala at 0.64 Angstrom
分子名称: DLE-DPN-BE2-DAL
著者Cameron, A.J, Sarojini, V, Squire, C.J.
登録日2017-08-14
公開日2017-11-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.64 Å)
主引用文献Crystal and NMR Structures of a Peptidomimetic beta-Turn That Provides Facile Synthesis of 13-Membered Cyclic Tetrapeptides.
Chem Asian J, 12, 2017
4Q8D
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BU of 4q8d by Molmil
Crystal structure of a macrocyclic beta-sheet peptide containing two beta-strands from amyloid beta residues 15-23
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, macrocyclic beta-sheet peptide incorporating residues amyloid beta 15-23
著者Pham, J.D, Spencer, R.K, Chen, K.H, Nowick, J.S.
登録日2014-04-26
公開日2014-08-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献A Fibril-Like Assembly of Oligomers of a Peptide Derived from beta-Amyloid.
J.Am.Chem.Soc., 136, 2014
5TXD
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BU of 5txd by Molmil
Structure of amyloid-beta derived peptide - NKGAIF
分子名称: Amyloid beta A4 protein, PHOSPHATE ION
著者Sangwan, S, Sawaya, M.R, Eisenberg, D.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.452 Å)
主引用文献Distal amyloid beta-protein fragments template amyloid assembly.
Protein Sci., 27, 2018
5TXH
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BU of 5txh by Molmil
Polymorphic form 2 of amyloid-beta derived peptide - IFAEDV
分子名称: IFAEDV, ISOPROPYL ALCOHOL
著者Sangwan, S, Sawaya, M.R, Eisenberg, D.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Distal amyloid beta-protein fragments template amyloid assembly.
Protein Sci., 27, 2018
3FAA
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BU of 3faa by Molmil
Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor
分子名称: N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide, PHOSPHATE ION, TGF-beta receptor type-1
著者Boriack-Sjodin, P.A, Fitch, C.
登録日2008-11-16
公開日2009-01-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献2-Aminoimidazoles inhibitors of TGF-beta receptor 1.
Bioorg.Med.Chem.Lett., 19, 2009

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件を2024-07-17に公開中

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