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3H2E
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Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Descriptor: 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3K13
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Structure of the pterin-binding domain MeTr of 5-methyltetrahydrofolate-homocysteine methyltransferase from Bacteroides thetaiotaomicron
Descriptor: 5-methyltetrahydrofolate-homocysteine methyltransferase, GLYCEROL, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, ...
Authors:Cuff, M.E, Li, H, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-09-25
Release date:2009-12-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the pterin-binding domain MeTr of 5-methyltetrahydrofolate-homocysteine methyltransferase from Bacteroides thetaiotaomicron
TO BE PUBLISHED
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
5U0Z
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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
5U10
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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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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
5UMG
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Crystal structure of dihydropteroate synthase from Klebsiella pneumoniae subsp.
Descriptor: Dihydropteroate synthase, GLYCEROL
Authors:Chang, C, Zhou, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-01-27
Release date:2017-02-15
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Crystal structure of dihydropteroate synthase from Klebsiella pneumoniae subsp.
To Be Published
5VOO
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BU of 5voo by Molmil
Methionine synthase folate-binding domain with methyltetrahydrofolate from Thermus thermophilus HB8
Descriptor: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydrofolate homocysteine S-methyltransferase, CHLORIDE ION, ...
Authors:Koutmos, M, Yamada, K.
Deposit date:2017-05-03
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The folate-binding module of Thermus thermophilus cobalamin-dependent methionine synthase displays a distinct variation of the classical TIM barrel: a TIM barrel with a `twist'.
Acta Crystallogr D Struct Biol, 74, 2018
5VON
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BU of 5von by Molmil
Methionine synthase folate-binding domain from Thermus thermophilus HB8
Descriptor: 5-methyltetrahydrofolate homocysteine S-methyltransferase, GLYCEROL
Authors:Yamada, K, Koutmos, M.
Deposit date:2017-05-03
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The folate-binding module of Thermus thermophilus cobalamin-dependent methionine synthase displays a distinct variation of the classical TIM barrel: a TIM barrel with a `twist'.
Acta Crystallogr D Struct Biol, 74, 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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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
5USW
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BU of 5usw by Molmil
The crystal structure of 7,8-dihydropteroate synthase from Vibrio fischeri ES114
Descriptor: ACETATE ION, Dihydropteroate synthase, FORMIC ACID, ...
Authors:Tan, K, Zhou, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-14
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.643 Å)
Cite:The crystal structure of 7,8-dihydropteroate synthase from Vibrio fischeri ES114
To Be Published
5VOP
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BU of 5vop by Molmil
Methionine synthase folate-binding domain from Thermus thermophilus HB8 native
Descriptor: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydrofolate homocysteine S-methyltransferase, CITRATE ANION, ...
Authors:Koutmos, M, Yamada, K.
Deposit date:2017-05-03
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The folate-binding module of Thermus thermophilus cobalamin-dependent methionine synthase displays a distinct variation of the classical TIM barrel: a TIM barrel with a `twist'.
Acta Crystallogr D Struct Biol, 74, 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
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
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
5U11
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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
4PZV
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BU of 4pzv by Molmil
Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D
Descriptor: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2014-03-31
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281, 2014
3BOF
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BU of 3bof by Molmil
Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima complexed with Zn2+ and Homocysteine
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydrofolate S-homocysteine methyltransferase, POTASSIUM ION, ...
Authors:Koutmos, M, Smith, J.L, Ludwig, M.L.
Deposit date:2007-12-17
Release date:2008-03-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Metal active site elasticity linked to activation of homocysteine in methionine synthases.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1Q85
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BU of 1q85 by Molmil
Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima (Cd2+ complex, Se-Met)
Descriptor: 5-methyltetrahydrofolate S-homocysteine methyltransferase, CADMIUM ION
Authors:Evans, J.C, Huddler, D.P, Hilgers, M.T, Romanchuk, G, Matthews, R.G, Ludwig, M.L.
Deposit date:2003-08-20
Release date:2004-03-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
8G3H
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BU of 8g3h by Molmil
Structure of cobalamin-dependent methionine synthase (MetH) in a resting state
Descriptor: COBALAMIN, Methionine synthase, ZINC ION
Authors:Watkins, M.B, Ando, N.
Deposit date:2023-02-07
Release date:2023-06-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Conformational switching and flexibility in cobalamin-dependent methionine synthase studied by small-angle X-ray scattering and cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 120, 2023
5Z79
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BU of 5z79 by Molmil
Crystal Structure Analysis of the HPPK-DHPS in complex with substrates
Descriptor: 4-AMINOBENZOIC ACID, 5'-DEOXYADENOSINE, 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE, ...
Authors:Manickam, Y, Karl, H, Sharma, A.
Deposit date:2018-01-27
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase-dihydropteroate synthase fromPlasmodium vivaxsheds light on drug resistance
J. Biol. Chem., 293, 2018
4CCZ
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BU of 4ccz by Molmil
Crystal structure of human 5-methyltetrahydrofolate-homocysteine methyltransferase, the homocysteine and folate binding domains
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, METHIONINE SYNTHASE
Authors:Vollmar, M, Kiyani, W, Krojer, T, Goubin, S, Burgess-Brown, N, von Delft, F, Oppermann, U, Edwards, A, Arrowsmith, C, Bountra, C, Yue, W.W.
Deposit date:2013-10-29
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human 5-Methyltetrahydrofolate-Homocysteine Methyltransferase, the Homocysteine and Folate Binding Domains
To be Published
7MPY
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BU of 7mpy by Molmil
Crystal structure of cytosolic HPPK-DHPS from A.thaliana
Descriptor: Folate synthesis bifunctional protein
Authors:Vadlamani, G, Bond, C.S.
Deposit date:2021-05-05
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Arabidopsis thaliana HPPK/DHPS, a bifunctional enzyme and target of the herbicide asulam.
Plant Commun., 3, 2022

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PDB entries from 2024-09-18

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