8OL7
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![BU of 8ol7 by Molmil](/molmil-images/mine/8ol7) | MurineArc type I Abeta fibril from tg-APPArcSwe mouse | 分子名称: | Amyloid-beta protein 42 | 著者 | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | 登録日 | 2023-03-30 | 公開日 | 2023-11-29 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease. Nat.Neurosci., 26, 2023
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3JBH
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![BU of 3jbh by Molmil](/molmil-images/mine/3jbh) | TWO HEAVY MEROMYOSIN INTERACTING-HEADS MOTIFS FLEXIBLE DOCKED INTO TARANTULA THICK FILAMENT 3D-MAP ALLOWS IN DEPTH STUDY OF INTRA- AND INTERMOLECULAR INTERACTIONS | 分子名称: | MYOSIN 2 ESSENTIAL LIGHT CHAIN STRIATED MUSCLE, MYOSIN 2 HEAVY CHAIN STRIATED MUSCLE, MYOSIN 2 REGULATORY LIGHT CHAIN STRIATED MUSCLE | 著者 | Alamo, L, Qi, D, Wriggers, W, Pinto, A, Zhu, J, Bilbao, A, Gillilan, R.E, Hu, S, Padron, R. | 登録日 | 2015-09-01 | 公開日 | 2016-03-09 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (20 Å) | 主引用文献 | Conserved Intramolecular Interactions Maintain Myosin Interacting-Heads Motifs Explaining Tarantula Muscle Super-Relaxed State Structural Basis. J. Mol. Biol., 428, 2016
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8OLG
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![BU of 8olg by Molmil](/molmil-images/mine/8olg) | DI2 Abeta fibril from tg-SwDI mouse | 分子名称: | Amyloid-beta protein 42 | 著者 | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | 登録日 | 2023-03-30 | 公開日 | 2023-11-29 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease. Nat.Neurosci., 26, 2023
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1YM0
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![BU of 1ym0 by Molmil](/molmil-images/mine/1ym0) | Crystal Structure of Earthworm Fibrinolytic Enzyme Component B: a Novel, Glycosylated Two-chained Trypsin | 分子名称: | MAGNESIUM ION, SULFATE ION, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wang, F, Wang, C, Li, M, Zhang, J.P, Gui, L.L, An, X.M, Chang, W.R. | 登録日 | 2005-01-20 | 公開日 | 2005-04-19 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Crystal structure of earthworm fibrinolytic enzyme component B: a novel, glycosylated two-chained trypsin. J.Mol.Biol., 348, 2005
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8OLO
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![BU of 8olo by Molmil](/molmil-images/mine/8olo) | Murine type III Abeta fibril from ARTE10 mouse | 分子名称: | Amyloid-beta protein 42 | 著者 | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | 登録日 | 2023-03-30 | 公開日 | 2023-11-29 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease. Nat.Neurosci., 26, 2023
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2IIY
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![BU of 2iiy by Molmil](/molmil-images/mine/2iiy) | |
4QYH
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![BU of 4qyh by Molmil](/molmil-images/mine/4qyh) | CHK1 kinase domain in complex with diazacarbazole GNE-783 | 分子名称: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | 著者 | Wiesmann, C, Wu, P. | 登録日 | 2014-07-24 | 公開日 | 2014-12-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1. Bioorg.Med.Chem.Lett., 24, 2014
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3K7R
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![BU of 3k7r by Molmil](/molmil-images/mine/3k7r) | Crystal structure of [TM][CuAtx1]3 | 分子名称: | COPPER (II) ION, D-MALATE, Metal homeostasis factor ATX1, ... | 著者 | Xue, Y, Alvarez, H.M, Robinson, C.D, Mondragon, A, O'Halloran, T.V. | 登録日 | 2009-10-13 | 公開日 | 2009-11-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Tetrathiomolybdate inhibits copper trafficking proteins through metal cluster formation. Science, 327, 2010
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3JWV
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![BU of 3jwv by Molmil](/molmil-images/mine/3jwv) | Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'S,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | 著者 | Delker, S.L, Li, H, Poulos, T.L. | 登録日 | 2009-09-18 | 公開日 | 2010-05-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
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6CM2
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![BU of 6cm2 by Molmil](/molmil-images/mine/6cm2) | SAMHD1 HD domain bound to decitabine triphosphate | 分子名称: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J. | 登録日 | 2018-03-02 | 公開日 | 2019-06-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML. Nat Commun, 10, 2019
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8K71
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![BU of 8k71 by Molmil](/molmil-images/mine/8k71) | Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((2-((naphthalen-2-ylmethyl)sulfonyl)acetyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid | 分子名称: | 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | 著者 | Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J. | 登録日 | 2023-07-26 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha. Chem Sci, 14, 2023
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8K72
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![BU of 8k72 by Molmil](/molmil-images/mine/8k72) | Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid | 分子名称: | 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | 著者 | Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J. | 登録日 | 2023-07-26 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha. Chem Sci, 14, 2023
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8DTN
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![BU of 8dtn by Molmil](/molmil-images/mine/8dtn) | The complex of nanobody 6101 with BCL11A ZF6 | 分子名称: | B-cell lymphoma/leukemia 11A, MAGNESIUM ION, Nanobody 6101, ... | 著者 | Yin, M, Tenglin, K, Zhai, L, Dassama, L.M, Orkin, S.H. | 登録日 | 2022-07-26 | 公開日 | 2023-02-01 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | Evolution of nanobodies specific for BCL11A. Proc.Natl.Acad.Sci.USA, 120, 2023
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8K73
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![BU of 8k73 by Molmil](/molmil-images/mine/8k73) | Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((1-(phenylsulfonyl)pyrrolidine-3-carbonyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid | 分子名称: | 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | 著者 | Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J. | 登録日 | 2023-07-26 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha. Chem Sci, 14, 2023
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3KF4
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3NN4
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![BU of 3nn4 by Molmil](/molmil-images/mine/3nn4) | Structure of chlorite dismutase from Candidatus Nitrospira defluvii R173K mutant | 分子名称: | Chlorite dismutase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Kostan, J, Sjoeblom, B, Maixner, F, Mlynek, G, Furtmueller, P.G, Obinger, C, Wagner, M, Daims, H, Djinovic-Carugo, K. | 登録日 | 2010-06-23 | 公開日 | 2010-07-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural and functional characterisation of the chlorite dismutase from the nitrite-oxidizing bacterium "Candidatus Nitrospira defluvii": Identification of a catalytically important amino acid residue J.Struct.Biol., 172, 2010
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8DTU
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![BU of 8dtu by Molmil](/molmil-images/mine/8dtu) | The complex of nanobody 5344N74D with BCL11A ZF6. | 分子名称: | B-cell lymphoma/leukemia 11A, Nanobody 5344N74D, ZINC ION | 著者 | Yin, M, Tenglin, K, Zhai, L, Dassama, L.M, Orkin, S.H. | 登録日 | 2022-07-26 | 公開日 | 2023-02-01 | 実験手法 | X-RAY DIFFRACTION (2.447 Å) | 主引用文献 | Evolution of nanobodies specific for BCL11A. Proc.Natl.Acad.Sci.USA, 120, 2023
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3JBM
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![BU of 3jbm by Molmil](/molmil-images/mine/3jbm) | Electron cryo-microscopy of a virus-like particle of orange-spotted grouper nervous necrosis virus | 分子名称: | virus-like particle of orange-spotted grouper nervous necrosis virus | 著者 | Xie, J, Li, K, Gao, Y, Huang, R, Lai, Y, Shi, Y, Yang, S, Zhu, G, Zhang, Q, He, J. | 登録日 | 2015-09-06 | 公開日 | 2016-10-19 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structural analysis and insertion study reveal the ideal sites for surface displaying foreign peptides on a betanodavirus-like particle Vet. Res., 47, 2016
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6NE5
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![BU of 6ne5 by Molmil](/molmil-images/mine/6ne5) | |
4QXM
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![BU of 4qxm by Molmil](/molmil-images/mine/4qxm) | Crystal structure of the InhA:GSK_SB713 complex | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Gulten, G, Sacchettini, J.C. | 登録日 | 2014-07-21 | 公開日 | 2015-07-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.196 Å) | 主引用文献 | N-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-trans Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity. Chemmedchem, 11, 2016
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4CG9
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![BU of 4cg9 by Molmil](/molmil-images/mine/4cg9) | Human choline kinase a1 in complex with compound 12 | 分子名称: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine | 著者 | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | 登録日 | 2013-11-21 | 公開日 | 2014-01-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives J.Med.Chem., 57, 2014
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3JQC
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![BU of 3jqc by Molmil](/molmil-images/mine/3jqc) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (JU2) | 分子名称: | 2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1 | 著者 | Tulloch, L.B, Hunter, W.N. | 登録日 | 2009-09-06 | 公開日 | 2009-12-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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2JF0
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![BU of 2jf0 by Molmil](/molmil-images/mine/2jf0) | Mus musculus acetylcholinesterase in complex with tabun and Ortho-7 | 分子名称: | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL | 著者 | Ekstrom, F, Astot, C, Pang, Y.P. | 登録日 | 2007-01-25 | 公開日 | 2007-07-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes. Clin.Pharmacol.Ther., 82, 2007
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4R06
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![BU of 4r06 by Molmil](/molmil-images/mine/4r06) | Crystal Structure of SR2067 bound to PPARgamma | 分子名称: | 1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION | 著者 | Marrewijk, L, Kamenecka, T, Griffin, P.R, Bruning, J.B. | 登録日 | 2014-07-30 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | SR2067 Reveals a Unique Kinetic and Structural Signature for PPAR gamma Partial Agonism. Acs Chem.Biol., 11, 2016
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2JEY
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![BU of 2jey by Molmil](/molmil-images/mine/2jey) | Mus musculus acetylcholinesterase in complex with HLo-7 | 分子名称: | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL | 著者 | Ekstrom, F, Astot, C, Pang, Y.P. | 登録日 | 2007-01-25 | 公開日 | 2007-07-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes. Clin.Pharmacol.Ther., 82, 2007
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