4CPZ
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![BU of 4cpz by Molmil](/molmil-images/mine/4cpz) | Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Zanamivir | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | 登録日 | 2014-02-09 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis., 210, 2014
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4CPO
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![BU of 4cpo by Molmil](/molmil-images/mine/4cpo) | Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | 登録日 | 2014-02-08 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis., 210, 2014
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4CPY
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![BU of 4cpy by Molmil](/molmil-images/mine/4cpy) | Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Oseltamivir | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | 登録日 | 2014-02-09 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis., 210, 2014
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4CPM
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![BU of 4cpm by Molmil](/molmil-images/mine/4cpm) | Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Oseltamivir | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | 登録日 | 2014-02-07 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis., 210, 2014
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4CPN
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![BU of 4cpn by Molmil](/molmil-images/mine/4cpn) | Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Zanamivir | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | 登録日 | 2014-02-08 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis., 210, 2014
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4CPL
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![BU of 4cpl by Molmil](/molmil-images/mine/4cpl) | Structure of the Neuraminidase from the B/Brisbane/60/2008 virus. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | 登録日 | 2014-02-07 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis., 210, 2014
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4NAI
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![BU of 4nai by Molmil](/molmil-images/mine/4nai) | Arabidopsis thaliana IspD apo | 分子名称: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ... | 著者 | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | 登録日 | 2013-10-22 | 公開日 | 2014-01-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NAK
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![BU of 4nak by Molmil](/molmil-images/mine/4nak) | Arabidopsis thaliana IspD in complex with pentabromo-pseudilin | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | 著者 | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | 登録日 | 2013-10-22 | 公開日 | 2014-01-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NAN
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![BU of 4nan by Molmil](/molmil-images/mine/4nan) | Arabidopsis thaliana IspD in complex with tetrabromo-pseudilin | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | 著者 | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | 登録日 | 2013-10-22 | 公開日 | 2014-01-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NAL
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![BU of 4nal by Molmil](/molmil-images/mine/4nal) | Arabidopsis thaliana IspD in complex with tribromodichloro-pseudilin | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ... | 著者 | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | 登録日 | 2013-10-22 | 公開日 | 2014-01-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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6YB9
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![BU of 6yb9 by Molmil](/molmil-images/mine/6yb9) | Human octameric PAICS in complex with SAICAR, AMP-PNP, and magnesium | 分子名称: | (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | 著者 | Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P. | 登録日 | 2020-03-16 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.406 Å) | 主引用文献 | Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target. J.Biol.Chem., 295, 2020
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6YB8
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![BU of 6yb8 by Molmil](/molmil-images/mine/6yb8) | Human octameric PAICS in complex with CAIR and SAICAR | 分子名称: | (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, 5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, ... | 著者 | Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P. | 登録日 | 2020-03-16 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target. J.Biol.Chem., 295, 2020
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1ESK
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![BU of 1esk by Molmil](/molmil-images/mine/1esk) | SOLUTION STRUCTURE OF NCP7 FROM HIV-1 | 分子名称: | GAG POLYPROTEIN, ZINC ION | 著者 | Morellet, N, Demene, H, Teilleux, V, Huynh-Dinh, T, de Rocquigny, H, Fournie-Zaluski, M.-C, Roques, B.P. | 登録日 | 2000-04-10 | 公開日 | 2000-04-26 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of (12-53)NCp7 of HIV-1 To be Published
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5XMR
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![BU of 5xmr by Molmil](/molmil-images/mine/5xmr) | Plasmodium vivax SHMT(C346A) bound with PLP-glycine and GS395 | 分子名称: | (4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2 ,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | 登録日 | 2017-05-16 | 公開日 | 2017-11-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
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5XMS
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![BU of 5xms by Molmil](/molmil-images/mine/5xms) | Plasmodium vivax SHMT bound with PLP-glycine and GS498 | 分子名称: | (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | 登録日 | 2017-05-16 | 公開日 | 2017-11-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
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5XMP
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![BU of 5xmp by Molmil](/molmil-images/mine/5xmp) | Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057 | 分子名称: | 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | 登録日 | 2017-05-16 | 公開日 | 2017-11-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
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4TN4
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![BU of 4tn4 by Molmil](/molmil-images/mine/4tn4) | Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 33G: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | 分子名称: | (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C. | 登録日 | 2014-06-03 | 公開日 | 2015-03-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities. J.Med.Chem., 58, 2015
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4TMR
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![BU of 4tmr by Molmil](/molmil-images/mine/4tmr) | Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate . | 分子名称: | CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C. | 登録日 | 2014-06-02 | 公開日 | 2015-03-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities. J.Med.Chem., 58, 2015
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6AGT
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![BU of 6agt by Molmil](/molmil-images/mine/6agt) | Crystal structure of PfKRS complexed with chromone inhibitor | 分子名称: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | 著者 | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | 登録日 | 2018-08-14 | 公開日 | 2019-03-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.953 Å) | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5ELN
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![BU of 5eln by Molmil](/molmil-images/mine/5eln) | |
5ELO
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![BU of 5elo by Molmil](/molmil-images/mine/5elo) | |
8DSR
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![BU of 8dsr by Molmil](/molmil-images/mine/8dsr) | Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362 | 分子名称: | (2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one, Plasmepsin X | 著者 | Abendroth, J, Lorimer, D.D. | 登録日 | 2022-07-22 | 公開日 | 2022-10-19 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 . J.Med.Chem., 65, 2022
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5CS2
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![BU of 5cs2 by Molmil](/molmil-images/mine/5cs2) | Crystal structure of Plasmodium falciparum diadenosine triphosphate hydrolase in complex with Cyclomarin A | 分子名称: | CHLORIDE ION, Cyclomarin A, Histidine triad protein | 著者 | Ostermann, N, Schmitt, E, Gerhartz, B, Hinniger, A, Delmas, C. | 登録日 | 2015-07-23 | 公開日 | 2015-10-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Gift from Nature: Cyclomarin A Kills Mycobacteria and Malaria Parasites by Distinct Modes of Action. Chembiochem, 16, 2015
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5GVN
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![BU of 5gvn by Molmil](/molmil-images/mine/5gvn) | Plasmodium vivax SHMT bound with PLP-glycine and GS653 | 分子名称: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVL
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![BU of 5gvl by Molmil](/molmil-images/mine/5gvl) | Plasmodium vivax SHMT bound with PLP-glycine and GS182 | 分子名称: | (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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