3WNS
 
 | | Allyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | | 分子名称: | CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ... | | 著者 | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | | 登録日 | 2013-12-16 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.658 Å) | | 主引用文献 | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Eur.J.Med.Chem., 93, 2015
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5EQB
 | | Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to itraconazole | | 分子名称: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, Finer-Morre, J, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | 登録日 | 2015-11-12 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1J1A
 | | PANCREATIC SECRETORY PHOSPHOLIPASE A2 (IIa) WITH ANTI-INFLAMMATORY ACTIVITY | | 分子名称: | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID, CALCIUM ION, Phospholipase A2 | | 著者 | Hansford, K.A, Reid, R.C, Clark, C.I, Tyndall, J.D.A, Whitehouse, M.W, Guthrie, T, McGeary, R.P, Schafer, K, Martin, J.L, Fairlie, D.P. | | 登録日 | 2002-12-03 | | 公開日 | 2003-03-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | D-Tyrosine as a Chiral Precusor to Potent Inhibitors of Human Nonpancreatic Secretory Phospholipase A2 (IIa) with Antiinflammatory Activity
Chembiochem, 4, 2003
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4OYQ
 | | (6-isothiocyanatohexyl)benzene inhibitor complexed with Macrophage Migration Inhibitory Factor | | 分子名称: | 6-isothiocyanatohexylbenzene, GLYCEROL, Macrophage migration inhibitory factor, ... | | 著者 | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | | 登録日 | 2014-02-12 | | 公開日 | 2014-03-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | To be published
To be published
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2AN5
 | | 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
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2AN3
 | | 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 | 2024-10-30 | | 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
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2AN4
 | | 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
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2OPB
 | | 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 | 2024-10-30 | | 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
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9BNR
 | | 4-(2-isothiocyanatoethyl)benzenesulfonamide complexed with Macrophage Migration Inhibitory Factor | | 分子名称: | Macrophage migration inhibitory factor, N-[2-(4-sulfamoylphenyl)ethyl]methanethioamide, SULFATE ION | | 著者 | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | | 登録日 | 2024-05-02 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
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9BNQ
 | | N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide complexed with Macrophage Migration Inhibitory Factor | | 分子名称: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide, ... | | 著者 | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | | 登録日 | 2024-05-02 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
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1YZ3
 | | 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
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2ONZ
 | | 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 | 2024-10-09 | | 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
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2OBF
 | | 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
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2ONY
 | | 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 | 2024-10-30 | | 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
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