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PDB: 235 results

6OIQ
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BU of 6oiq by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 63
Descriptor: 2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-04-09
Release date:2019-07-03
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
6OIP
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BU of 6oip by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 34
Descriptor: 2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-04-09
Release date:2019-07-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
7GSS
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BU of 7gss by Molmil
Human glutathione S-transferase P1-1, complex with glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-13
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
5BUO
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BU of 5buo by Molmil
A receptor molecule
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACETATE ION, Amyloid beta A4 protein, ...
Authors:Gao, C, Crespi, G.A.N, Gorman, M.A, Nero, T.L, Parker, M.W, Miles, L.A.
Deposit date:2015-06-04
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:NULL
To Be Published
8GSS
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BU of 8gss by Molmil
Human glutathione S-transferase P1-1, complex with glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1, ...
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-14
Release date:1998-09-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
6XD4
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BU of 6xd4 by Molmil
CDC-like protein
Descriptor: ACETATE ION, Hemolysin, SODIUM ION
Authors:Morton, C.J, Parker, M.W, Lawrence, S.L, Johnstone, B.A, Tweten, R.K.
Deposit date:2020-06-09
Release date:2021-04-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Key Motif in the Cholesterol-Dependent Cytolysins Reveals a Large Family of Related Proteins.
Mbio, 11, 2020
9GSS
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BU of 9gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, S-HEXYLGLUTATHIONE, ...
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-14
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
8G32
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BU of 8g32 by Molmil
Pro-form of a CDCL short from E. anophelis
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Johnstone, B.A, Christie, M.P, Morton, C.J, Parker, M.W.
Deposit date:2023-02-06
Release date:2024-02-07
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Distant relatives of a eukaryotic cell-specific toxin family evolved a complement-like mechanism to kill bacteria.
Nat Commun, 15, 2024
1ZGN
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BU of 1zgn by Molmil
Crystal Structure of the Glutathione Transferase Pi in Complex with Dinitrosyl-diglutathionyl Iron Complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE (III) ION, GLUTATHIONE, ...
Authors:Parker, L.J, Adams, J.J, Parker, M.W.
Deposit date:2005-04-21
Release date:2005-11-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nitrosylation of human glutathione transferase P1-1 with dinitrosyl diglutathionyl iron complex in vitro and in vivo
J.Biol.Chem., 280, 2005
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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE, CALCIUM ION, ...
Authors:Parker, L.J, Morton, C.J, Adams, J.J, Parker, M.W.
Deposit date:2005-06-23
Release date:2006-06-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Calorimetric and structural studies of the nitric oxide carrier S-nitrosoglutathione bound to human glutathione transferase P1-1
Protein Sci., 15, 2006
2A2R
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BU of 2a2r by Molmil
Crystal Structure of Glutathione Transferase Pi in complex with S-nitrosoglutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE, CALCIUM ION, ...
Authors:Parker, L.J, Morton, C.J, Adams, J.J, Parker, M.W.
Deposit date:2005-06-23
Release date:2006-06-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Calorimetric and structural studies of the nitric oxide carrier S-nitrosoglutathione bound to human glutathione transferase P1-1
Protein Sci., 15, 2006
8G33
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BU of 8g33 by Molmil
Activated form of a CDCL long protein
Descriptor: Hemolysin
Authors:Johnstone, B.A, Christie, M.P, Morton, C.J, Parker, M.W.
Deposit date:2023-02-06
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Activated form of a CDCL long protein
To Be Published
7TBA
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BU of 7tba by Molmil
Pentraxin - ligand complex
Descriptor: C-reactive protein, CALCIUM ION, [3-(dibutylamino)propyl]phosphonic acid
Authors:Shing, K.S.C.T, Morton, C.J, Parker, M.W.
Deposit date:2021-12-21
Release date:2022-10-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A novel phosphocholine-mimetic inhibits a pro-inflammatory conformational change in C-reactive protein.
Embo Mol Med, 15, 2023
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
Descriptor: (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, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2021-10-12
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV Integrase core domain in complex with inhibitor
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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Di-glutathione-PhenylArsine, GLUTATHIONE, ...
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-20
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Di-glutathione-PhenylArsine, ...
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-25
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
6EF5
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BU of 6ef5 by Molmil
14-3-3 with peptide
Descriptor: 14-3-3 protein zeta/delta, ARG-SER-LEU-SEP-ALA-PRO-GLY, LYS-LEU-SEP-LEU-GLN
Authors:Dhagat, U, Langendorf, C.G, Parker, M.W.P, Oakhill, J.S, Scott, J.W.
Deposit date:2018-08-16
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:14-3-3 with peptide
To Be Published
3N9J
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BU of 3n9j by Molmil
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J, Parker, M.W.
Deposit date:2010-05-30
Release date:2011-05-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.
To be Published
5DCG
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BU of 5dcg by Molmil
Crystal Structure of WT Apo Human Glutathione Transferase Pi
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glutathione S-transferase P, ...
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-24
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARSENIC, Glutathione S-transferase P
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-20
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
7RQ0
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BU of 7rq0 by Molmil
HIV Integrase CORE domain in complex with 2-{2-[2-(3-{[4-(2-{[(3-{2-[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid
Descriptor: IODIDE ION, Integrase, SULFATE ION, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2021-08-05
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HIV integrase-LEDGF interaction screening by fragment linking using off-rate screening
To Be Published
8E17
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BU of 8e17 by Molmil
BRD4-D1 in complex with BET inhibitor
Descriptor: (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
Authors:Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
Deposit date:2022-08-09
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite: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
Descriptor: (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
Deposit date:2022-08-17
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
8DYR
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BU of 8dyr by Molmil
BRD4-D1 in complex with BET inhibitor
Descriptor: (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
Authors:Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
Deposit date:2022-08-04
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
5GSS
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BU of 5gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-11
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997

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