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6NAL
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BU of 6nal by Molmil
Crystal Structure of Gram Negative Toxin
分子名称: IMIDAZOLE, TETRAETHYLENE GLYCOL, Thiol-activated cytolysin
著者Morton, C.J, Lawrence, S.A, Parker, M.W.
登録日2018-12-05
公開日2019-12-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structural Basis for a Transition State That Regulates Pore Formation in a Bacterial Toxin.
Mbio, 10, 2019
6NMY
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BU of 6nmy by Molmil
A Cytokine-receptor complex
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, Cytokine receptor common subunit beta, ...
著者Dhagat, U, Kan, W.L, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W.
登録日2019-01-13
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献Signalling conformation of cell surface receptor
To Be Published
6OIR
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BU of 6oir by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 62
分子名称: 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-04-09
公開日2019-07-03
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
1FW1
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BU of 1fw1 by Molmil
Glutathione transferase zeta/maleylacetoacetate isomerase
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLUTATHIONE, GLUTATHIONE TRANSFERASE ZETA, ...
著者Polekhina, G, Board, P.G, Blackburn, A.C, Parker, M.W.
登録日2000-09-20
公開日2001-09-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of maleylacetoacetate isomerase/glutathione transferase zeta reveals the molecular basis for its remarkable catalytic promiscuity.
Biochemistry, 40, 2001
8DYR
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BU of 8dyr by Molmil
BRD4-D1 in complex with BET inhibitor
分子名称: (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
登録日2022-08-04
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
8E3W
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BU of 8e3w by Molmil
BRD4-D1 in complex with BET inhibitor
分子名称: (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
登録日2022-08-17
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
8E17
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BU of 8e17 by Molmil
BRD4-D1 in complex with BET inhibitor
分子名称: (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
登録日2022-08-09
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
5DDL
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BU of 5ddl by Molmil
Crystal Structure of WT Human Glutathione Transferase Pi soaked with a metalloid then back-soaked with glutathione
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Di-glutathione-PhenylArsine, ...
著者Parker, L.J, Parker, M.W, Morton, C.J.
登録日2015-08-25
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
1ZGN
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BU of 1zgn by Molmil
Crystal Structure of the Glutathione Transferase Pi in Complex with Dinitrosyl-diglutathionyl Iron Complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE (III) ION, GLUTATHIONE, ...
著者Parker, L.J, Adams, J.J, Parker, M.W.
登録日2005-04-21
公開日2005-11-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nitrosylation of human glutathione transferase P1-1 with dinitrosyl diglutathionyl iron complex in vitro and in vivo
J.Biol.Chem., 280, 2005
5DCG
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BU of 5dcg by Molmil
Crystal Structure of WT Apo Human Glutathione Transferase Pi
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glutathione S-transferase P, ...
著者Parker, L.J, Parker, M.W, Morton, C.J.
登録日2015-08-24
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
5DAL
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BU of 5dal by Molmil
Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the presence of Glutathione
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Di-glutathione-PhenylArsine, GLUTATHIONE, ...
著者Parker, L.J, Parker, M.W, Morton, C.J.
登録日2015-08-20
公開日2016-12-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
5DAK
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BU of 5dak by Molmil
Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the absence of Glutathione
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARSENIC, Glutathione S-transferase P
著者Parker, L.J, Parker, M.W, Morton, C.J.
登録日2015-08-20
公開日2016-12-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
2A2R
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BU of 2a2r by Molmil
Crystal Structure of Glutathione Transferase Pi in complex with S-nitrosoglutathione
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE, CALCIUM ION, ...
著者Parker, L.J, Morton, C.J, Adams, J.J, Parker, M.W.
登録日2005-06-23
公開日2006-06-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Calorimetric and structural studies of the nitric oxide carrier S-nitrosoglutathione bound to human glutathione transferase P1-1
Protein Sci., 15, 2006
2A2S
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BU of 2a2s by Molmil
Crystal Structure of Human Glutathione Transferase in complex with S-nitrosoglutathione in the absence of reducing agent
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE, CALCIUM ION, ...
著者Parker, L.J, Morton, C.J, Adams, J.J, Parker, M.W.
登録日2005-06-23
公開日2006-06-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Calorimetric and structural studies of the nitric oxide carrier S-nitrosoglutathione bound to human glutathione transferase P1-1
Protein Sci., 15, 2006
7SIA
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BU of 7sia by Molmil
HIV Integrase core domain in complex with inhibitor 2-[2-(2-{3-[(4-{2-[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)formamido]ethyl}piperazin-1-yl)methyl]phenyl}ethynyl)-5-methyl-1-benzofuran-3-yl]acetic acid
分子名称: (2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2021-10-12
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV Integrase core domain in complex with inhibitor
To Be Published
7TBA
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BU of 7tba by Molmil
Pentraxin - ligand complex
分子名称: C-reactive protein, CALCIUM ION, [3-(dibutylamino)propyl]phosphonic acid
著者Shing, K.S.C.T, Morton, C.J, Parker, M.W.
登録日2021-12-21
公開日2022-10-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献A novel phosphocholine-mimetic inhibits a pro-inflammatory conformational change in C-reactive protein.
Embo Mol Med, 15, 2023
6BA4
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BU of 6ba4 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor
分子名称: ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ...
著者Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W.
登録日2017-10-12
公開日2018-08-01
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
6BA2
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BU of 6ba2 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor
分子名称: 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ...
著者Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W.
登録日2017-10-11
公開日2018-08-01
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.85003817 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
6BFS
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BU of 6bfs by Molmil
The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies
分子名称: Fab Heavy Chain, Fab light Chain, Granulocyte-macrophage colony-stimulating factor
著者Dhagat, U, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W.
登録日2017-10-26
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities.
MAbs, 10, 2018
6B1U
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BU of 6b1u by Molmil
Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S.
登録日2017-09-19
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
6B2E
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BU of 6b2e by Molmil
Structure of full length human AMPK (a2b2g1) in complex with a small molecule activator SC4.
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S.
登録日2017-09-19
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
3N9J
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BU of 3n9j by Molmil
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Parker, M.W.
登録日2010-05-30
公開日2011-05-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.
To be Published
8DFX
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BU of 8dfx by Molmil
Crystal structure of Human BTN2A1-BTN3A1 Ectodomain Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1
著者Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
登録日2022-06-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (5.55 Å)
主引用文献Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
8DFY
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BU of 8dfy by Molmil
Crystal structure of Human BTN2A1 Ectodomain
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, Butyrophilin subfamily 2 member A1, ...
著者Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
登録日2022-06-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.552 Å)
主引用文献Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
8DFW
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BU of 8dfw by Molmil
Crystal Structure of Human BTN2A1 in Complex With Vgamma9-Vdelta2 T Cell Receptor
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, Butyrophilin subfamily 2 member A1, ...
著者Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P.
登録日2022-06-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published

220113

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