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PDB: 33 件
4NIR
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BU of 4nir by Molmil
Crystal structure of B. anthracis DHPS with compound 6: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
分子名称: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D.I, White, S.W.
登録日2013-11-06
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.772 Å)
主引用文献Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
1TX2
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BU of 1tx2 by Molmil
Dihydropteroate Synthetase, With Bound Inhibitor MANIC, From Bacillus anthracis
分子名称: 6-METHYLAMINO-5-NITROISOCYTOSINE, DHPS, Dihydropteroate synthase, ...
著者Babaoglu, K, Qi, J, Lee, R.E, White, S.W.
登録日2004-07-01
公開日2004-09-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis; Mechanism and Novel Inhibitor Design.
STRUCTURE, 12, 2004
4NHV
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BU of 4nhv by Molmil
Crystal structure of B. anthracis DHPS with interfacial compound 4: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine
分子名称: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine, Dihydropteroate synthase, SULFATE ION
著者Hammoudeh, D.I, White, S.W.
登録日2013-11-05
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
1TWS
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BU of 1tws by Molmil
Dihydropteroate Synthetase From Bacillus anthracis
分子名称: DHPS, Dihydropteroate synthase, SULFATE ION
著者Babaoglu, K, Qi, J, Lee, R.E, White, S.W.
登録日2004-07-01
公開日2004-09-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis; Mechanism and Novel Inhibitor Design.
STRUCTURE, 12, 2004
3H2E
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BU of 3h2e by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
1TX0
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BU of 1tx0 by Molmil
Dihydropteroate Synthetase, With Bound Product Analogue Pteroic Acid, From Bacillus anthracis
分子名称: DHPS, Dihydropteroate synthase, PTEROIC ACID, ...
著者Babaoglu, K, Qi, J, Lee, R.E, White, S.W.
登録日2004-07-01
公開日2004-09-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis; Mechanism and Novel Inhibitor Design.
STRUCTURE, 12, 2004
4NIL
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BU of 4nil by Molmil
Crystal structure of B. anthracis DHPS with compound 5: 4-[(trifluoromethyl)sulfanyl]benzamide
分子名称: 4-[(trifluoromethyl)sulfanyl]benzamide, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D.I, White, S.W.
登録日2013-11-06
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4D8A
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BU of 4d8a by Molmil
Crystal structure of B. anthracis DHPS with compound 21
分子名称: Dihydropteroate synthase, LYSINE, SULFATE ION, ...
著者Hammoudeh, D, Lee, R.E, White, S.W.
登録日2012-01-10
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.183 Å)
主引用文献Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
4D8Z
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Crystal structure of B. anthracis DHPS with compound 24
分子名称: (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D, Lee, R.E, White, S.W.
登録日2012-01-11
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
3H2F
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BU of 3h2f by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H23
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BU of 3h23 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
4D9P
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BU of 4d9p by Molmil
Crystal structure of B. anthracis DHPS with compound 17
分子名称: (3R)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D, Lee, R.E, White, S.W.
登録日2012-01-11
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
4NL1
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BU of 4nl1 by Molmil
Crystal structure of B. anthracis DHPS with compound 11: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
分子名称: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D.I, White, S.W.
登録日2013-11-13
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
3TYE
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BU of 3tye by Molmil
Dihydropteroate Synthase in complex with DHP-STZ
分子名称: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, ...
著者Yun, M.-K, White, S.W.
登録日2011-09-24
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TYC
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BU of 3tyc by Molmil
Dihydropteroate Synthase in complex with DHP+
分子名称: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2011-09-24
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3H2M
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BU of 3h2m by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H21
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BU of 3h21 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: (2R)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H22
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BU of 3h22 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2,6-diamino-5-nitrosopyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2N
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BU of 3h2n by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2A
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BU of 3h2a by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2,6-diamino-5-nitropyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H26
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BU of 3h26 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3V5O
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BU of 3v5o by Molmil
Structural and Mechanistic Studies of Catalysis and Sulfa Drug Resistance in Dihydropteroate Synthase
分子名称: Dihydropteroate synthase, SULFATE ION
著者Yun, M, Wu, Y, Li, Z, Zhao, Y, Waddell, M.B, Ferreira, A.M, Lee, R.E, Bashford, D, White, S.W.
登録日2011-12-16
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
4DB7
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BU of 4db7 by Molmil
Crystal structure of B. anthracis DHPS with compound 25
分子名称: 3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D, Lee, R.E, White, S.W.
登録日2012-01-13
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
4DAI
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Crystal structure of B. anthracis DHPS with compound 23
分子名称: (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D, Lee, R.E, White, S.W.
登録日2012-01-12
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
1TWW
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Dihydropteroate Synthetase, With Bound Substrate Analogue PtPP, From Bacillus anthracis
分子名称: 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE, DHPS, Dihydropteroate synthase, ...
著者Babaoglu, K, Qi, J, Lee, R.E, White, S.W.
登録日2004-07-01
公開日2004-09-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis; Mechanism and Novel Inhibitor Design.
STRUCTURE, 12, 2004

 

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