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7VUU
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BU of 7vuu by Molmil
Crystal structure of AlleyCat10 with inhibitor
分子名称: 5-nitro-1H-benzotriazole, AlleyCat, CALCIUM ION
著者Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K.
登録日2021-11-04
公開日2022-07-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献NMR-guided directed evolution.
Nature, 610, 2022
7WCG
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BU of 7wcg by Molmil
Single-Stranded DNA binding protein of Sulfolobus Solfataricus structure at high-temperature
分子名称: Single-stranded DNA binding protein Ssb
著者Yang, M.J, Park, C, Lee, W.
登録日2021-12-20
公開日2022-06-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Structure and Biophysical Characterization of Thermophilic Single-Stranded DNA Binding Protein from Sulfolobus Solfataricus .
Int J Mol Sci, 23, 2022
7VUT
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BU of 7vut by Molmil
Crystal structure of AlleyCat10
分子名称: AlleyCat10, CALCIUM ION
著者Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K.
登録日2021-11-04
公開日2022-07-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献NMR-guided directed evolution.
Nature, 610, 2022
5WAH
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BU of 5wah by Molmil
SOLUTION NMR STRUCTURE OF SIGLEC-5 BINDING DOMAIN FROM STREPTOCOCCAL BETA PROTEIN
分子名称: IgA FC receptor
著者ELETSKY, A, CHEN, C, FONG, J.J, NIZET, V, VARKI, A, PRESTEGARD, J.H.
登録日2017-06-26
公開日2018-06-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献SOLUTION NMR STRUCTURE OF SIGLEC-5 BINDING DOMAIN FROM STREPTOCOCCAL BETA PROTEIN
To Be Published
6KCZ
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BU of 6kcz by Molmil
Solution structure of the ZnF-UBP domain of USP20/VDU2
分子名称: Ubiquitin carboxyl-terminal hydrolase 20, ZINC ION
著者Yang, Y, Wen, Y, Zhang, N.
登録日2019-06-30
公開日2019-07-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and functional studies of USP20 ZnF-UBP domain by NMR.
Protein Sci., 28, 2019
6MPP
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BU of 6mpp by Molmil
HLA-A*01:01 complex with NRAS Q61K peptide by NMR
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-1 alpha chain, ...
著者Flores-Solis, D, McShan, A.C, Sgourakis, N.G.
登録日2018-10-08
公開日2019-10-16
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献MHC-I complex determined by NMR
To Be Published
1BC4
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BU of 1bc4 by Molmil
THE SOLUTION STRUCTURE OF A CYTOTOXIC RIBONUCLEASE FROM THE OOCYTES OF RANA CATESBEIANA (BULLFROG), NMR, 15 STRUCTURES
分子名称: RIBONUCLEASE
著者Chang, C.-F, Chen, C, Chen, Y.-C, Hom, K, Huang, R.-F, Huang, T.
登録日1998-05-05
公開日1998-10-14
最終更新日2019-12-25
実験手法SOLUTION NMR
主引用文献The solution structure of a cytotoxic ribonuclease from the oocytes of Rana catesbeiana (bullfrog).
J.Mol.Biol., 283, 1998
7A4L
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BU of 7a4l by Molmil
PRE-only solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1
分子名称: IRON/SULFUR CLUSTER, PioC
著者Trindade, I, Invernici, M, Cantini, F, Louro, R, Piccioli, M.
登録日2020-08-19
公開日2020-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
6QYW
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BU of 6qyw by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - nisin ring A
分子名称: ILE-DBU-DAL-ILE-DHA-LEU-CYS-ALA
著者Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
登録日2019-03-09
公開日2019-09-11
最終更新日2019-10-02
実験手法SOLUTION NMR
主引用文献Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYV
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BU of 6qyv by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A (Ser2, Ala5, Ala8) analogue
分子名称: PHE-SER-DAL-LEU-ALA-LEU-CYS-ALA
著者Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
登録日2019-03-09
公開日2019-09-11
最終更新日2019-10-02
実験手法SOLUTION NMR
主引用文献Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
1AYG
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BU of 1ayg by Molmil
SOLUTION STRUCTURE OF CYTOCHROME C-552, NMR, 20 STRUCTURES
分子名称: CYTOCHROME C-552, HEME C
著者Hasegawa, J, Yoshida, T, Yamazaki, T, Sambongi, Y, Yu, Y, Igarashi, Y, Kodama, T, Yamazaki, K, Hakusui, H, Kyogoku, Y, Kobayashi, Y.
登録日1997-11-04
公開日1998-11-25
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structure of thermostable cytochrome c-552 from Hydrogenobacter thermophilus determined by 1H-NMR spectroscopy.
Biochemistry, 37, 1998
7P51
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BU of 7p51 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH FRAGMENT F01
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide, ...
著者Hanoulle, X, Moschidi, D.
登録日2021-07-13
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.474 Å)
主引用文献NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment.
Angew.Chem.Int.Ed.Engl., 60, 2021
7N45
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BU of 7n45 by Molmil
Solution NMR structure of the N-terminal globular domain of the endemic HKU1 coronavirus nucleocapsid protein
分子名称: Nucleoprotein
著者Caruso, I.P, Marques, A.L, Santana-Silva, M.C, Almeida, F.C.L, Amorim, G.C.
登録日2021-06-03
公開日2022-06-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the N-terminal globular domain of the endemic HKU1 coronavirus nucleocapsid protein.
To Be Published
6QYU
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BU of 6qyu by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A
分子名称: PHE-DHA-DAL-LEU-DHA-LEU-CYS-ALA
著者Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
登録日2019-03-09
公開日2019-09-11
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6TUB
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BU of 6tub by Molmil
Beta-endorphin amyloid fibril
分子名称: Beta-endorphin
著者Verasdonck, J, Seuring, C, Gath, J, Ghosh, D, Nespovitaya, N, Waelti, M.A, Maji, S, Cadalbert, R, Boeckmann, A, Guentert, P, Meier, B.H, Riek, R.
登録日2020-01-05
公開日2020-10-28
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献The three-dimensional structure of human beta-endorphin amyloid fibrils.
Nat.Struct.Mol.Biol., 27, 2020
6QYT
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BU of 6qyt by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A truncated analogue
分子名称: DAL-LEU-SER-LEU-CYS-ALA
著者Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
登録日2019-03-09
公開日2019-09-11
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
5LCH
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BU of 5lch by Molmil
VIM-2 metallo-beta-lactamase in complex with (S)-1-allyl-2-(3-methoxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 42)
分子名称: (1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid, Metallo-beta-lactamase VIM-2, ZINC ION
著者Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2016-06-21
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
5LCA
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BU of 5lca by Molmil
VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (compound 17)
分子名称: 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase VIM-2, ...
著者Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2016-06-20
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
5VX7
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BU of 5vx7 by Molmil
Solution NMR structure of the BRCT domain of S. cerevisiae Rev1
分子名称: DNA repair protein REV1
著者Xu, C, Cui, G, Botuyan, M.V, Mer, G.
登録日2017-05-23
公開日2018-01-31
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the BRCT domain of S. cerevisiae Rev1
To Be Published
5LCF
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BU of 5lcf by Molmil
VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid (compound 30)
分子名称: 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, MAGNESIUM ION, ...
著者Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2016-06-21
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
5LE1
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BU of 5le1 by Molmil
VIM-2 metallo-beta-lactamase in complex with 2-(2-chloro-6-fluorobenzyl)-3-oxoisoindoline-4-carboxylic acid (compound 16)
分子名称: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, GLYCEROL, ...
著者Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2016-06-29
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
5LM6
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BU of 5lm6 by Molmil
VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 35)
分子名称: 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, Metallo-beta-lactamase VIM-2, ...
著者Li, G.-B, Brem, J, Someya, H, McDonough, M.A, Schofield, C.J.
登録日2016-07-29
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
1A91
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BU of 1a91 by Molmil
SUBUNIT C OF THE F1FO ATP SYNTHASE OF ESCHERICHIA COLI; NMR, 10 STRUCTURES
分子名称: F1FO ATPASE SUBUNIT C
著者Girvin, M.E, Rastogi, V.K, Abildgaard, F, Markley, J.L, Fillingame, R.H.
登録日1998-04-15
公開日1998-07-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the transmembrane H+-transporting subunit c of the F1F0 ATP synthase.
Biochemistry, 37, 1998
1AH2
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BU of 1ah2 by Molmil
SERINE PROTEASE PB92 FROM BACILLUS ALCALOPHILUS, NMR, 18 STRUCTURES
分子名称: SERINE PROTEASE PB92
著者Boelens, R, Schipper, D, Martin, J.R, Karimi-Nejad, Y, Mulder, F, Zwan, J.V.D, Mariani, M.
登録日1997-04-11
公開日1998-04-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of serine protease PB92 from Bacillus alcalophilus presents a rigid fold with a flexible substrate-binding site.
Structure, 5, 1997
1B22
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BU of 1b22 by Molmil
RAD51 (N-TERMINAL DOMAIN)
分子名称: DNA REPAIR PROTEIN RAD51
著者Aihara, H, Ito, Y, Kurumizaka, H, Yokoyama, S, Shibata, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日1998-12-04
公開日1999-12-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献The N-terminal domain of the human Rad51 protein binds DNA: structure and a DNA binding surface as revealed by NMR.
J.Mol.Biol., 290, 1999

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