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1HNN
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CRYSTAL STRUCTURE OF HUMAN PNMT COMPLEXED WITH SK&F 29661 AND ADOHCY(SAH)
分子名称: 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE, PHENYLETHANOLAMINE N-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE
著者Martin, J.L, Begun, J, McLeish, M.J, Caine, J.M, Grunewald, G.L.
登録日2000-12-07
公開日2001-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Getting the adrenaline going: crystal structure of the adrenaline-synthesizing enzyme PNMT.
Structure, 9, 2001
2AN5
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Structure of human PNMT complexed with S-adenosyl-homocysteine and an inhibitor, trans-(1S,2S)-2-amino-1-tetralol
分子名称: PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L.
登録日2005-08-11
公開日2006-03-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
2AN3
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Structure of PNMT with S-adenosyl-L-homocysteine and the semi-rigid analogue acceptor substrate cis-(1R,2S)-2-amino-1-tetralol.
分子名称: CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L.
登録日2005-08-11
公開日2006-03-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
1YZ3
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Structure of human pnmt complexed with cofactor product adohcy and inhibitor SK&F 64139
分子名称: 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Wu, Q, Gee, C.L, Lin, F, Martin, J.L, Grunewald, G.L, McLeish, M.J.
登録日2005-02-27
公開日2006-02-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase
J.Med.Chem., 48, 2005
2AN4
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Structure of PNMT complexed with S-adenosyl-L-homocysteine and the acceptor substrate octopamine
分子名称: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ...
著者Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L.
登録日2005-08-11
公開日2006-03-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
1N7I
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BU of 1n7i by Molmil
The structure of Phenylethanolamine N-methyltransferase in complex with S-adenosylhomocysteine and the inhibitor LY134046
分子名称: 8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者McMillan, F.M, Archbold, J, McLeish, M.J, Caine, J.M, Criscione, K.R, Grunewald, G.L, Martin, J.L.
登録日2002-11-15
公開日2003-12-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
J.Med.Chem., 47, 2004
1N7J
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The structure of Phenylethanolamine N-methyltransferase in complex with S-adenosylhomocysteine and an iodinated inhibitor
分子名称: 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者McMillan, F.M, Archbold, J, McLeish, M.J, Caine, J.M, Criscione, K.R, Grunewald, G.L, Martin, J.L.
登録日2002-11-15
公開日2003-12-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
J.Med.Chem., 47, 2004
2G8N
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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2023-10-25
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
2G72
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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2023-10-25
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
2G70
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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2023-10-25
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
2G71
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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2023-10-25
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
2ONZ
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BU of 2onz by Molmil
Structure of K57A hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
分子名称: N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2007-01-25
公開日2007-10-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2OPB
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BU of 2opb by Molmil
Structure of K57A hPNMT with inhibitor 3-fluoromethyl-7-thiomorpholinosulfonamide-THIQ and AdoHcy
分子名称: (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ...
著者Drinkwater, N, Martin, J.L.
登録日2007-01-28
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase.
J.Med.Chem., 50, 2007
2ONY
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BU of 2ony by Molmil
Structure of hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
分子名称: N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ...
著者Drinkwater, N, Martin, J.L.
登録日2007-01-24
公開日2007-10-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2OBF
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BU of 2obf by Molmil
Structure of K57A hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy (SAH)
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, Martin, J.L.
登録日2006-12-19
公開日2007-10-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
3HCF
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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2023-09-06
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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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2023-09-06
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
4DM3
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Crystal structure of human PNMT in complex adohcy, resorcinol and imidazole
分子名称: IMIDAZOLE, Phenylethanolamine N-methyltransferase, RESORCINOL, ...
著者Nair, P.C, Malde, A.K, Mark, A.E.
登録日2012-02-06
公開日2012-04-25
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.4001 Å)
主引用文献Missing fragments: detecting cooperative binding in fragment-based drug design.
ACS Med Chem Lett, 3, 2012
3HCB
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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2023-09-06
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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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2023-09-06
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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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2023-09-06
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
3HCA
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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2023-09-06
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
3KPY
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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2023-09-06
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
3KQT
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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2023-09-06
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
3KPU
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Crystal Structure of hPNMT in Complex AdoHcy and 4-quinolinol
分子名称: Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-4-ol
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2023-09-06
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

 

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