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5ETT
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BU of 5ett by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.55 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-18
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETQ
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BU of 5etq by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.96 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-18
Release date:2016-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETP
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BU of 5etp by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.05 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one, CALCIUM ION, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-17
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5ETR
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BU of 5etr by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.32 angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, CHLORIDE ION, ...
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2015-11-18
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
6PNN
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BU of 6pnn by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PNM
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BU of 6pnm by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(morpholinosulfonyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PNO
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BU of 6pno by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-isopropylsulfamoyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6OL9
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BU of 6ol9 by Molmil
Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium
Descriptor: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
Authors:Vuckovic, Z, Christopoulos, A, Thal, D.M.
Deposit date:2019-04-16
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:Crystal structure of the M5muscarinic acetylcholine receptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
5U0Y
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BU of 5u0y by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
Descriptor: 1,2-ETHANEDIOL, Dihydropteroate synthase, [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U11
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BU of 5u11 by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide
Descriptor: 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide, Dihydropteroate synthase
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U13
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BU of 5u13 by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one
Descriptor: 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, Dihydropteroate synthase
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U10
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BU of 5u10 by Molmil
E. coli dihydropteroate synthase complexed with pteroic acid
Descriptor: Dihydropteroate synthase, PHOSPHATE ION, PTEROIC ACID
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U0V
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BU of 5u0v by Molmil
E. coli dihydropteroate synthase complexed with 6-methylamino-5-nitrosoisocytosine
Descriptor: 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one, ACETIC ACID, Dihydropteroate synthase, ...
Authors:Peat, T.S, Dennis, M.L, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U14
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BU of 5u14 by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide
Descriptor: 4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide, Dihydropteroate synthase
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U12
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BU of 5u12 by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
Descriptor: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, Dihydropteroate synthase
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5V79
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BU of 5v79 by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-phenylacetamide
Descriptor: 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide, Dihydropteroate synthase, NITRATE ION
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2017-03-20
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U0W
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BU of 5u0w by Molmil
E. coli dihydropteroate synthase complexed with 9-methylguanine
Descriptor: 9-METHYLGUANINE, ACETIC ACID, Dihydropteroate synthase
Authors:Chhabra, S, Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5V3Q
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BU of 5v3q by Molmil
Human GSTO1-1 complexed with ML175
Descriptor: Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, SULFATE ION
Authors:Oakley, A.J.
Deposit date:2017-03-07
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:GSTO1-1 plays a pro-inflammatory role in models of inflammation, colitis and obesity.
Sci Rep, 7, 2017
5V7A
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BU of 5v7a by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)acetic acid
Descriptor: CHLORIDE ION, Dihydropteroate synthase, [(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2017-03-20
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U0Z
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BU of 5u0z by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative
Descriptor: (2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid, Dihydropteroate synthase
Authors:Dennis, M.L, Peat, T.S, Swarbrick, J.D.
Deposit date:2016-11-27
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
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