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5O9W
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BU of 5o9w by Molmil
Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with 2-oxoglutarate
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T.
登録日2017-06-20
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.
J. Struct. Biol., 202, 2018
6TTO
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BU of 6tto by Molmil
N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with 2-oxoglutarate
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FORMIC ACID, ...
著者Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T.
登録日2019-12-29
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
6TTM
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BU of 6ttm by Molmil
Hyoscyamine 6-hydroxylase in complex with N-oxalylglycine and hyoscyamine
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hyoscyamine 6 beta-hydroxylase, ...
著者Kluza, A, Kurpiewska, K, Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-12-29
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
6TTN
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BU of 6ttn by Molmil
N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine
分子名称: 1,2-ETHANEDIOL, Hyoscyamine 6 beta-hydroxylase, N-OXALYLGLYCINE, ...
著者Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T.
登録日2019-12-29
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
5O7Y
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BU of 5o7y by Molmil
Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with succinate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ...
著者Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T.
登録日2017-06-10
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.
J. Struct. Biol., 202, 2018
2M4V
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BU of 2m4v by Molmil
Mycobacterium tuberculosis RNA polymerase binding protein A (RbpA) and its interactions with sigma factors
分子名称: Putative uncharacterized protein
著者Bortoluzzi, A, Muskett, F.W, Waters, L.C, Addis, P.W, Rieck, B, Munder, T, Schleier, S, Forti, F, Ghisotti, D, Carr, M.D, O'Hare, H.M.
登録日2013-02-11
公開日2013-04-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mycobacterium tuberculosis RNA polymerase-binding protein A (RbpA) and its interactions with sigma factors.
J.Biol.Chem., 288, 2013
5T8R
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BU of 5t8r by Molmil
Crystal structure of human BAZ2A PHD zinc finger in complex with unmodified H3 10-mer
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, Histone H3.1, ...
著者Amato, A, Gadd, M.S, Bortoluzzi, A, Ciulli, A.
登録日2016-09-08
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of molecular recognition of helical histone H3 tail by PHD finger domains.
Biochem. J., 474, 2017
5XZE
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BU of 5xze by Molmil
Mouse cGAS bound to the inhibitor RU332
分子名称: (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ...
著者Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M.
登録日2017-07-12
公開日2017-10-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.177 Å)
主引用文献Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
5XZG
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BU of 5xzg by Molmil
Mouse cGAS bound to the inhibitor RU521
分子名称: 2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ...
著者Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M.
登録日2017-07-12
公開日2017-10-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.828 Å)
主引用文献Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
5XZB
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BU of 5xzb by Molmil
Mouse cGAS bound to the inhibitor RU365
分子名称: (3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ...
著者Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M.
登録日2017-07-12
公開日2017-08-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
7MCO
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BU of 7mco by Molmil
Crystal Structure of Tetur04g02350
分子名称: UDP-glycosyltransferase 203A2, URIDINE-5'-DIPHOSPHATE
著者Danehsian, L, Kluza, A, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
登録日2021-04-02
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Tetur04g02350
To Be Published
5NGZ
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BU of 5ngz by Molmil
Ube2T in complex with fragment EM04
分子名称: 1-(1,3-benzothiazol-2-yl)methanamine, Ubiquitin-conjugating enzyme E2 T
著者Morreale, F.E, Bortoluzzi, A, Chaugule, V.K, Arkinson, C, Walden, H, Ciulli, A.
登録日2017-03-21
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric Targeting of the Fanconi Anemia Ubiquitin-Conjugating Enzyme Ube2T by Fragment Screening.
J. Med. Chem., 60, 2017
3ZQJ
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BU of 3zqj by Molmil
Mycobacterium tuberculosis UvrA
分子名称: UVRABC SYSTEM PROTEIN A, ZINC ION
著者Rossi, F, Khanduja, J.S, Bortoluzzi, A, Houghton, J, Sander, P, Guthlein, C, Davis, E.O, Springer, B, Bottger, E.C, Relini, A, Penco, A, Muniyappa, K, Rizzi, M.
登録日2011-06-09
公開日2011-06-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The Biological and Structural Characterization of Mycobacterium Tuberculosis Uvra Provides Novel Insights Into its Mechanism of Action
Nucleic Acids Res., 39, 2011
7LVY
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BU of 7lvy by Molmil
Crystal Structure of Tetur04g02350
分子名称: UDP-glycosyltransferase 203A2, URIDINE-5'-DIPHOSPHATE, beta-D-glucopyranose
著者Danehsian, L, Kluza, A, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
登録日2021-02-26
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Tetur04g02350
To Be Published
6FAP
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BU of 6fap by Molmil
Crystal structure of human BAZ2A PHD zinc finger in complex with Fr23
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ...
著者Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
登録日2017-12-16
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FKP
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BU of 6fkp by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with H3 10-mer AA mutant peptide
分子名称: ALA-ARG-THR-ALA-ALA-THR-ALA-ARG, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
著者Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
登録日2018-01-24
公開日2018-03-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FI0
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BU of 6fi0 by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with Fr 19
分子名称: 2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
著者Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
登録日2018-01-16
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FHQ
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BU of 6fhq by Molmil
Crystal structure of human BAZ2B PHD zinc finger in complex with Fr 21
分子名称: 2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide, Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION
著者Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
登録日2018-01-15
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FHU
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BU of 6fhu by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with H3 3-mer peptide
分子名称: ALA-ARG-TAM, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
著者Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
登録日2018-01-15
公開日2018-03-21
最終更新日2018-05-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FI1
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BU of 6fi1 by Molmil
Crystal structure of human BAZ2B PHD zinc finger in complex with Fr23
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION, ~{N}-(4-aminophenyl)-2-azanyl-ethanamide
著者Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
登録日2018-01-16
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
5OJJ
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BU of 5ojj by Molmil
Crystal structure of the Zn-bound ubiquitin-conjugating enzyme Ube2T
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Ubiquitin-conjugating enzyme E2 T, ...
著者Morreale, F.E, Testa, A, Chaugule, V.K, Bortoluzzi, A, Ciulli, A, Walden, H.
登録日2017-07-21
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mind the Metal: A Fragment Library-Derived Zinc Impurity Binds the E2 Ubiquitin-Conjugating Enzyme Ube2T and Induces Structural Rearrangements.
J. Med. Chem., 60, 2017
5OJY
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BU of 5ojy by Molmil
Co-complex structure of regulator protein 2 (PamR2) with pamamycin 607 from Streptomyces alboniger
分子名称: CITRIC ACID, GLYCEROL, Pamamycin 607, ...
著者Schmelz, S, Rebets, Y, Luzhetskyy, A, Scrima, A.
登録日2017-07-24
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
5OJX
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BU of 5ojx by Molmil
Crystal structure of regulator protein 2 (PamR2) from the pamamycin biosynthetic gene cluster of Streptomyces alboniger
分子名称: TetR family transcription regulator
著者Schmelz, S, Rebets, Y, Luzhetskyy, A, Scrima, A.
登録日2017-07-24
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
8B1N
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BU of 8b1n by Molmil
Crystal structure of TrmD-Tm1570 from Calditerrivibrio nitroreducens in complex with S-adenosyl-L-methionine
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Kluza, A, Lewandowska, I, Augustyniak, R, Sulkowska, J.
登録日2022-09-10
公開日2022-09-28
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens.
Front Mol Biosci, 10, 2023
8BYH
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BU of 8byh by Molmil
Crystal structure of TrmD domain from Calditerrivibrio nitroreducens in complex with S-adenosyl-L-methionine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Kluza, A, Lewandowska, I, Sulkowska, J.
登録日2022-12-12
公開日2023-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens. To be published
To Be Published

 

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