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3KQO
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BU of 3kqo by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine
分子名称: 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KR1
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BU of 3kr1 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-chloro-1H-benzo[d]imidazol-2-amine
分子名称: 6-chloro-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KPJ
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BU of 3kpj by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Bound Phosphate
分子名称: PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-16
公開日2010-09-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQW
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BU of 3kqw by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-Chlorobenzimidazole
分子名称: 5-chloro-1H-benzimidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.486 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KPV
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BU of 3kpv by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Adenine
分子名称: ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQQ
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BU of 3kqq by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid
分子名称: 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
2G8N
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BU of 2g8n by Molmil
Structure of hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
分子名称: (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Gee, C.L, Martin, J.L.
登録日2006-03-02
公開日2006-09-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Comparison of the Binding of 3-Fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with Their Isosteric Sulfonamides to the Active Site of Phenylethanolamine N-Methyltransferase
J.Med.Chem., 49, 2006
2G70
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BU of 2g70 by Molmil
Structure of human PNMT in complex with inhibitor 3-hydroxymethyl-7-nitro-THIQ and AdoMet (SAM)
分子名称: PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE, ...
著者Tyndall, J.D.A, Gee, C.L, Martin, J.L.
登録日2006-02-27
公開日2007-02-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
3KPY
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BU of 3kpy by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole
分子名称: 6-chloro-1,3-dihydro-2H-indol-2-one, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQV
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BU of 3kqv by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Formanilide
分子名称: FORMANILIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
2G72
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BU of 2g72 by Molmil
Structure of hPNMT with inhibitor 3-fluoromethyl-7-thiomorpholinosulfonamide-THIQ and AdoMet
分子名称: (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE
著者Tyndall, J.D.A, Gee, C.L, Martin, J.L.
登録日2006-02-27
公開日2007-02-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
3KPW
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BU of 3kpw by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 1-Aminoisoquinoline
分子名称: ISOQUINOLIN-1-AMINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQP
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BU of 3kqp by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Aminoquinoline
分子名称: Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-6-amine
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQT
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BU of 3kqt by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-Amino-1-methylbenzimidazole
分子名称: 1-methyl-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
2G71
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BU of 2g71 by Molmil
Structure of hPNMT with inhibitor 3-fluoromethyl-7-trifluoropropyl-THIQ and AdoHcy
分子名称: (3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, GLYCEROL, Phenylethanolamine N-methyltransferase, ...
著者Tyndall, J.D.A, Gee, C.L, Martin, J.L.
登録日2006-02-27
公開日2007-02-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
3HCB
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BU of 3hcb by Molmil
Crystal Structure of hPNMT in Complex With Noradrenochrome and AdoHcy
分子名称: (3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L, Gee, C.L.
登録日2009-05-06
公開日2009-08-25
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
7LUH
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BU of 7luh by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment bromophenoxy propanamide
分子名称: (2~{R})-2-(4-bromanylphenoxy)propanamide, Thiol:disulfide interchange protein
著者Petit, G.A, Martin, J.L, McMahon, R.M.
登録日2021-02-22
公開日2022-01-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Acta Crystallogr D Struct Biol, 78, 2022
7LUJ
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BU of 7luj by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment 4-methoxy-N-phenylbenzenesulfonamide
分子名称: 4-methoxy-~{N}-phenyl-benzenesulfonamide, SULFATE ION, Thiol:disulfide interchange protein
著者Petit, G.A, Martin, J.L, McMahon, R.M.
登録日2021-02-22
公開日2022-01-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Acta Crystallogr D Struct Biol, 78, 2022
3HCA
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BU of 3hca by Molmil
Crystal Structure of E185Q hPNMT in Complex With Octopamine and AdoHcy
分子名称: 1,2-ETHANEDIOL, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, Phenylethanolamine N-methyltransferase, ...
著者Drinkwater, N, Martin, J.L.
登録日2009-05-06
公開日2009-08-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
3HCD
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BU of 3hcd by Molmil
Crystal Structure of hPNMT in Complex With Noradrenaline and AdoHcy
分子名称: L-NOREPINEPHRINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-05-06
公開日2009-08-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
3HCC
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BU of 3hcc by Molmil
Crystal Structure of hPNMT in Complex With anti-9-amino-5-(trifluromethyl) benzonorbornene and AdoHcy
分子名称: (1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L, Gee, C.L, Puri, M.
登録日2009-05-06
公開日2009-08-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
3HCF
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BU of 3hcf by Molmil
Crystal Structure of hPNMT in Complex With 3-trifluoromethyl phenylethanolamine and AdoHcy
分子名称: (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol, 1,2-ETHANEDIOL, Phenylethanolamine N-methyltransferase, ...
著者Drinkwater, N, Martin, J.L.
登録日2009-05-06
公開日2009-08-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
3HCE
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BU of 3hce by Molmil
Crystal Structure of E185D hPNMT in Complex With Octopamine and AdoHcy
分子名称: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-05-06
公開日2009-08-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
4P3Y
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BU of 4p3y by Molmil
Crystal structure of Acinetobacter baumannii DsbA in complex with EF-Tu
分子名称: Elongation factor Tu 1, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Premkumar, L, Martin, J.L.
登録日2014-03-10
公開日2014-06-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.154 Å)
主引用文献Structure of the Acinetobacter baumannii Dithiol Oxidase DsbA Bound to Elongation Factor EF-Tu Reveals a Novel Protein Interaction Site.
J.Biol.Chem., 289, 2014
4TKY
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BU of 4tky by Molmil
The complex structure of E. coli DsbA bound to a peptide at the DsbA/DsbB interface
分子名称: PRO-PHE-ALA-THR-CYS-ASP-SER, Thiol:disulfide interchange protein DsbA
著者Premkumar, L, Martin, J.L.
登録日2014-05-28
公開日2015-01-14
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Peptide Inhibitors of the Escherichia coli DsbA Oxidative Machinery Essential for Bacterial Virulence.
J.Med.Chem., 58, 2015

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