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4IS0
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BU of 4is0 by Molmil
Structural Insights into Omega-Class Glutathione Transferases: A Snapshot of Enzyme Reduction and Identification of the Non-Catalytic Ligandin Site.
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Glutathione S-transferase omega-1, L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine, ...
著者Brock, J, Oakley, A.J.
登録日2013-01-15
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.721 Å)
主引用文献Structural insights into omega-class glutathione transferases: a snapshot of enzyme reduction and identification of a non-catalytic ligandin site.
Plos One, 8, 2013
3LFL
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BU of 3lfl by Molmil
Crystal Structure of human Glutathione Transferase Omega 1, delta 155
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLUTATHIONE, Glutathione S-transferase omega-1
著者Brock, J.
登録日2010-01-18
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel folding and stability defects cause a deficiency of human glutathione transferase omega 1.
J.Biol.Chem., 286, 2011
3VLN
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BU of 3vln by Molmil
Human Glutathione Transferase O1-1 C32S Mutant in Complex with Ascorbic Acid
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ASCORBIC ACID, ...
著者Brock, J, Board, P.G, Oakley, A.J.
登録日2011-12-02
公開日2012-05-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
7S24
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BU of 7s24 by Molmil
Crystal structure of the Na+/H+ antiporter NhaA at pH 6.5
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Na(+)/H(+) antiporter NhaA, PENTAETHYLENE GLYCOL
著者Drew, D, Brock, J, Uzdavinys, P, Matsuoka, R.
登録日2021-09-03
公開日2022-08-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the Na + /H + antiporter NhaA at active pH reveals the mechanistic basis for pH sensing.
Nat Commun, 13, 2022
6RW3
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BU of 6rw3 by Molmil
The molecular basis for sugar import in malaria parasites.
分子名称: Hexose transporter 1, alpha-D-glucopyranose, beta-D-glucopyranose
著者Qureshi, A, Matsuoka, R, Brock, J, Drew, D.
登録日2019-06-03
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献The molecular basis for sugar import in malaria parasites.
Nature, 578, 2020
5MEX
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BU of 5mex by Molmil
Sulphotransferase-18 from Arabidopsis thaliana in complex with 3'-phosphoadenosine 5'-phosphate (PAP)and sinigrin
分子名称: 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, ...
著者Hirschmann, F, Krause, F, Baruch, P, Chizhov, I, Mueller, J.W, Manstein, D.J, Papenbrock, J, Fedorov, R.
登録日2016-11-16
公開日2017-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural and biochemical studies of sulphotransferase 18 from Arabidopsis thaliana explain its substrate specificity and reaction mechanism.
Sci Rep, 7, 2017
5MEK
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BU of 5mek by Molmil
Sulphotransferase-18 from Arabidopsis thaliana in complex with 3'-phosphoadenosine 5'-phosphate (PAP)
分子名称: 1,2-ETHANEDIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Cytosolic sulfotransferase 18, ...
著者Hirschmann, F, Krause, F, Baruch, P, Chizhov, I, Mueller, J.W, Manstein, D.J, Papenbrock, J, Fedorov, R.
登録日2016-11-15
公開日2017-07-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural and biochemical studies of sulphotransferase 18 from Arabidopsis thaliana explain its substrate specificity and reaction mechanism.
Sci Rep, 7, 2017
2LLF
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BU of 2llf by Molmil
Sixth Gelsolin-like domain of villin in 5 mM CaCl2
分子名称: Villin-1
著者Pfaff, D.A, Brockerman, J, Fedechkin, S, Burns, L, Zhang, F, Mcknight, C, Smirnov, S.L.
登録日2011-11-07
公開日2012-11-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Gelsolin-like activation of villin: calcium sensitivity of the long helix in domain 6.
Biochemistry, 52, 2013
3QAG
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BU of 3qag by Molmil
Human Glutathione Transferase O2 with glutathione -new crystal form
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
著者Zhou, H, Board, P.G, Oakley, A.J.
登録日2011-01-11
公開日2012-01-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
4NAT
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BU of 4nat by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase
分子名称: (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Lahiri, S.D.
登録日2013-10-22
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
4NAU
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BU of 4nau by Molmil
S. aureus CoaD with Inhibitor
分子名称: 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase
著者Lahiri, S.D.
登録日2013-10-22
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
4NAH
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BU of 4nah by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT)
分子名称: 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase
著者Lahiri, S.D.
登録日2013-10-22
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy.
Antimicrob.Agents Chemother., 57, 2013
3Q19
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BU of 3q19 by Molmil
Human Glutathione Transferase O2
分子名称: CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase omega-2
著者Zhou, H, Board, P.G, Oakley, A.J.
登録日2010-12-16
公開日2012-01-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
3Q18
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BU of 3q18 by Molmil
Human Glutathione Transferase O2
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Zhou, H, Board, P.G, Oakley, A.J.
登録日2010-12-16
公開日2012-01-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
4R6E
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BU of 4r6e by Molmil
Human artd1 (parp1) - catalytic domain in complex with inhibitor niraparib
分子名称: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
著者Karlberg, T, Thorsell, A.G, Brock, J, Schuler, H.
登録日2014-08-25
公開日2015-09-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J.Med.Chem., 60, 2017
6GHK
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BU of 6ghk by Molmil
Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527
分子名称: Poly [ADP-ribose] polymerase 1, SULFATE ION, ~{N}-[(1~{R})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{H}-quinazolin-2-yl)propanamide
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Moche, M, Brock, J, Ekblad, T, Spjut, S, Elofsson, M, Schuler, H.
登録日2018-05-08
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527
To Be Published
6XJ7
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BU of 6xj7 by Molmil
Crystal structure of the helical cell shape determining protein Pgp2 (K307A mutant) from Campylobacter jejuni
分子名称: Pgp2
著者Lin, C.S, Chan, A.C, Murphy, M.E.
登録日2020-06-23
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Peptidoglycan binding by a pocket on the accessory NTF2-domain of Pgp2 directs helical cell shape of Campylobacter jejuni.
J.Biol.Chem., 296, 2021
6XJ6
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BU of 6xj6 by Molmil
Crystal structure of the helical cell shape determining protein Pgp2 from Campylobacter jejuni
分子名称: Pgp2
著者Lin, C.S, Chan, A.C, Murphy, M.E.
登録日2020-06-23
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Peptidoglycan binding by a pocket on the accessory NTF2-domain of Pgp2 directs helical cell shape of Campylobacter jejuni.
J.Biol.Chem., 296, 2021
7QQG
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BU of 7qqg by Molmil
Crystal structure of MYORG bound to 1-deoxygalactonojirimycin
分子名称: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Meek, R.W, Davies, G.J.
登録日2022-01-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
7QQH
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Crystal structure of MYORG (D520N) in complex with Gal-a1,4-Glc
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Meek, R.W, Davies, G.J.
登録日2022-01-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
7QQF
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Crystal structure of unliganded MYORG
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, ACETATE ION, ...
著者Meek, R.W, Davies, G.J.
登録日2022-01-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022

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