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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.
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Glutathione S-transferase omega-1, L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine, ...
Authors:Brock, J, Oakley, A.J.
Deposit date:2013-01-15
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.721 Å)
Cite:Structural insights into omega-class glutathione transferases: a snapshot of enzyme reduction and identification of a non-catalytic ligandin site.
Plos One, 8, 2013
3VLN
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BU of 3vln by Molmil
Human Glutathione Transferase O1-1 C32S Mutant in Complex with Ascorbic Acid
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ASCORBIC ACID, ...
Authors:Brock, J, Board, P.G, Oakley, A.J.
Deposit date:2011-12-02
Release date:2012-05-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
3LFL
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BU of 3lfl by Molmil
Crystal Structure of human Glutathione Transferase Omega 1, delta 155
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLUTATHIONE, Glutathione S-transferase omega-1
Authors:Brock, J.
Deposit date:2010-01-18
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel folding and stability defects cause a deficiency of human glutathione transferase omega 1.
J.Biol.Chem., 286, 2011
7S24
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BU of 7s24 by Molmil
Crystal structure of the Na+/H+ antiporter NhaA at pH 6.5
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Na(+)/H(+) antiporter NhaA, PENTAETHYLENE GLYCOL
Authors:Drew, D, Brock, J, Uzdavinys, P, Matsuoka, R.
Deposit date:2021-09-03
Release date:2022-08-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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.
Descriptor: Hexose transporter 1, alpha-D-glucopyranose, beta-D-glucopyranose
Authors:Qureshi, A, Matsuoka, R, Brock, J, Drew, D.
Deposit date:2019-06-03
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:The molecular basis for sugar import in malaria parasites.
Nature, 578, 2020
4NAH
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BU of 4nah by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT)
Descriptor: 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
Authors:Lahiri, S.D.
Deposit date:2013-10-22
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy.
Antimicrob.Agents Chemother., 57, 2013
4NAT
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BU of 4nat by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase
Descriptor: (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lahiri, S.D.
Deposit date:2013-10-22
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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
Descriptor: 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
Authors:Lahiri, S.D.
Deposit date:2013-10-22
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
Descriptor: CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase omega-2
Authors:Zhou, H, Board, P.G, Oakley, A.J.
Deposit date:2010-12-16
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Zhou, H, Board, P.G, Oakley, A.J.
Deposit date:2010-12-16
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
3QAG
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BU of 3qag by Molmil
Human Glutathione Transferase O2 with glutathione -new crystal form
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
Authors:Zhou, H, Board, P.G, Oakley, A.J.
Deposit date:2011-01-11
Release date:2012-01-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
Authors:Karlberg, T, Thorsell, A.G, Brock, J, Schuler, H.
Deposit date:2014-08-25
Release date:2015-09-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Moche, M, Brock, J, Ekblad, T, Spjut, S, Elofsson, M, Schuler, H.
Deposit date:2018-05-08
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527
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PDB entries from 2024-03-27

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