6O5S
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6MRP
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6O5V
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![BU of 6o5v by Molmil](/molmil-images/mine/6o5v) | Binary complex of native hAChE with oxime reactivator RS-170B | 分子名称: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ... | 著者 | Gerlits, O, Kovalevsky, A, Radic, Z. | 登録日 | 2019-03-04 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. J.Biol.Chem., 294, 2019
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6O66
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6O4W
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![BU of 6o4w by Molmil](/molmil-images/mine/6o4w) | Binary complex of native hAChE with Donepezil | 分子名称: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ... | 著者 | Gerlits, O, Kovalevsky, A, Radic, Z. | 登録日 | 2019-03-01 | 公開日 | 2019-06-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies. Chem.Biol.Interact., 309, 2019
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6O52
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3UW5
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![BU of 3uw5 by Molmil](/molmil-images/mine/3uw5) | Crystal structure of the BIR domain of MLIAP bound to GDC0152 | 分子名称: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | 著者 | Maurer, B, Hymowitz, S.G. | 登録日 | 2011-11-30 | 公開日 | 2012-02-22 | 最終更新日 | 2017-08-02 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
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3UW4
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![BU of 3uw4 by Molmil](/molmil-images/mine/3uw4) | Crystal structure of cIAP1 BIR3 bound to GDC0152 | 分子名称: | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ... | 著者 | Maurer, B, Hymowitz, S. | 登録日 | 2011-11-30 | 公開日 | 2012-02-22 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
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4XK9
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![BU of 4xk9 by Molmil](/molmil-images/mine/4xk9) | Crystal structure of A-AChBP in complex with pinnatoxin G | 分子名称: | CHLORIDE ION, Pinnatoxin G, Soluble acetylcholine receptor | 著者 | Bourne, Y, Sulzenbacher, G, Marchot, P. | 登録日 | 2015-01-10 | 公開日 | 2015-06-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Marine Macrocyclic Imines, Pinnatoxins A and G: Structural Determinants and Functional Properties to Distinguish Neuronal alpha 7 from Muscle alpha 12 beta gamma delta nAChRs. Structure, 23, 2015
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4XHE
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![BU of 4xhe by Molmil](/molmil-images/mine/4xhe) | Crystal Structure of A-AChBP in complex with pinnatoxin A | 分子名称: | CALCIUM ION, CHLORIDE ION, Pinnatoxin A, ... | 著者 | Bourne, Y, Sulzenbacher, G, Marchot, P. | 登録日 | 2015-01-05 | 公開日 | 2015-06-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Marine Macrocyclic Imines, Pinnatoxins A and G: Structural Determinants and Functional Properties to Distinguish Neuronal alpha 7 from Muscle alpha 12 beta gamma delta nAChRs. Structure, 23, 2015
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4YF6
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![BU of 4yf6 by Molmil](/molmil-images/mine/4yf6) | Crystal structure of oxidised Rv1284 | 分子名称: | Beta-carbonic anhydrase 1, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Hofmann, A. | 登録日 | 2015-02-25 | 公開日 | 2015-05-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.002 Å) | 主引用文献 | Chemical probing suggests redox-regulation of the carbonic anhydrase activity of mycobacterial Rv1284. Febs J., 282, 2015
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4YF4
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4YF5
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3C84
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![BU of 3c84 by Molmil](/molmil-images/mine/3c84) | Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid thiacloprid | 分子名称: | ISOPROPYL ALCOHOL, MAGNESIUM ION, Soluble acetylcholine receptor, ... | 著者 | Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W. | 登録日 | 2008-02-08 | 公開日 | 2008-05-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C79
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![BU of 3c79 by Molmil](/molmil-images/mine/3c79) | Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid | 分子名称: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor | 著者 | Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W. | 登録日 | 2008-02-06 | 公開日 | 2008-05-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4LOY
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![BU of 4loy by Molmil](/molmil-images/mine/4loy) | Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-2, ... | 著者 | Stehlin-Gaon, C, Bocskei, Z. | 登録日 | 2013-07-14 | 公開日 | 2014-06-04 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor. J.Med.Chem., 56, 2013
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4LXB
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![BU of 4lxb by Molmil](/molmil-images/mine/4lxb) | Crystal Structure Analysis of thrombin in complex with compound D58 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-1, ... | 著者 | Stehlin-Gaon, C, Bocskei, Z. | 登録日 | 2013-07-29 | 公開日 | 2014-06-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor. J.Med.Chem., 56, 2013
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6U34
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![BU of 6u34 by Molmil](/molmil-images/mine/6u34) | Binary complex of native hAChE with oxime reactivator RS194B | 分子名称: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-21 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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6U37
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![BU of 6u37 by Molmil](/molmil-images/mine/6u37) | Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B | 分子名称: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-21 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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6U3P
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![BU of 6u3p by Molmil](/molmil-images/mine/6u3p) | Binary complex of native hAChE with oxime reactivator LG-703 | 分子名称: | (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide], Acetylcholinesterase, DIMETHYL SULFOXIDE | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-22 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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4BTU
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![BU of 4btu by Molmil](/molmil-images/mine/4btu) | Factor Xa in complex with the dual thrombin-FXa inhibitor 57. | 分子名称: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | 著者 | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | 登録日 | 2013-06-19 | 公開日 | 2013-12-18 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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4BTI
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![BU of 4bti by Molmil](/molmil-images/mine/4bti) | factor Xa in complex with the dual thrombin-FXa inhibitor 58. | 分子名称: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | 著者 | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | 登録日 | 2013-06-18 | 公開日 | 2013-12-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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4BTT
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![BU of 4btt by Molmil](/molmil-images/mine/4btt) | factor Xa in complex with the dual thrombin-FXa inhibitor 31. | 分子名称: | CALCIUM ION, COAGULATION FACTOR X, COAGULATION FACTOR X LIGHT CHAIN, ... | 著者 | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | 登録日 | 2013-06-19 | 公開日 | 2013-12-18 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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4WNJ
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![BU of 4wnj by Molmil](/molmil-images/mine/4wnj) | Crystal structure of Transthyretin-quercetin complex | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIMETHYL SULFOXIDE, Transthyretin | 著者 | Zanotti, G, Cianci, M, Berni, R, Folli, C. | 登録日 | 2014-10-13 | 公開日 | 2015-08-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.398 Å) | 主引用文献 | Structural evidence for asymmetric ligand binding to transthyretin. Acta Crystallogr.,Sect.D, 71, 2015
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4WO0
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![BU of 4wo0 by Molmil](/molmil-images/mine/4wo0) | Crystal structure of transthyretin in complex with apigenin | 分子名称: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Transthyretin | 著者 | Zanotti, G, Cianci, M, Folli, C, Berni, R. | 登録日 | 2014-10-15 | 公開日 | 2015-08-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.339 Å) | 主引用文献 | Structural evidence for asymmetric ligand binding to transthyretin. Acta Crystallogr.,Sect.D, 71, 2015
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