7H2H
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![BU of 7h2h by Molmil](/molmil-images/mine/7h2h) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1575274523 | 分子名称: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2024-04-03 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.419 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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1SHN
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![BU of 1shn by Molmil](/molmil-images/mine/1shn) | Crystal structure of shrimp alkaline phosphatase with phosphate bound | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, SULFATE ION, ... | 著者 | de Backer, M.M.E, McSweeney, S, Lindley, P.F, Hough, E. | 登録日 | 2004-02-26 | 公開日 | 2004-08-31 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Ligand-binding and metal-exchange crystallographic studies on shrimp alkaline phosphatase. Acta Crystallogr.,Sect.D, 60, 2004
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7H1L
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![BU of 7h1l by Molmil](/molmil-images/mine/7h1l) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0087 | 分子名称: | (3S)-3-(4-fluorophenyl)piperidine-3-carboxamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2024-04-03 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.535 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7GZB
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![BU of 7gzb by Molmil](/molmil-images/mine/7gzb) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000495-001 | 分子名称: | (2R)-(2,3-dihydro-1-benzofuran-5-yl)[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]acetic acid, Non-structural protein 3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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8F37
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![BU of 8f37 by Molmil](/molmil-images/mine/8f37) | |
7H1Y
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![BU of 7h1y by Molmil](/molmil-images/mine/7h1y) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57493554 | 分子名称: | 4-(aminomethyl)-1-methylpyridinium, DIMETHYL SULFOXIDE, Serine protease NS3, ... | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2024-04-03 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.371 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2F
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![BU of 7h2f by Molmil](/molmil-images/mine/7h2f) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1491215378 | 分子名称: | DIMETHYL SULFOXIDE, N-(piperidin-4-yl)methanesulfonamide, SULFATE ION, ... | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2024-04-03 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.381 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H09
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![BU of 7h09 by Molmil](/molmil-images/mine/7h09) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011177-001 | 分子名称: | (4M)-1-methyl-4-(4-{[(1R)-2-methyl-1-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GYY
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![BU of 7gyy by Molmil](/molmil-images/mine/7gyy) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000006-001 | 分子名称: | 4-[(3S)-3-(1H-1,2,4-triazol-1-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H0H
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![BU of 7h0h by Molmil](/molmil-images/mine/7h0h) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011204-001 | 分子名称: | N-ethyl-4-{[(1S)-2-methyl-1-(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H0E
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![BU of 7h0e by Molmil](/molmil-images/mine/7h0e) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011153-001 | 分子名称: | 4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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6S0V
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![BU of 6s0v by Molmil](/molmil-images/mine/6s0v) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, neamine and sulfate | 分子名称: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Kanamycin B dioxygenase, NICKEL (II) ION, ... | 著者 | Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T. | 登録日 | 2019-06-18 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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8P1G
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![BU of 8p1g by Molmil](/molmil-images/mine/8p1g) | Crystal structure of inactive TtCE16 in complex with acetate | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Dimarogona, M, Kosinas, C, Pentari, C, Zerva, A, Topakas, E, Karampa, P. | 登録日 | 2023-05-12 | 公開日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase. Carbohydr Polym, 327, 2024
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7H20
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![BU of 7h20 by Molmil](/molmil-images/mine/7h20) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z4605084899 | 分子名称: | 3-ethenyl-1,2-dimethyl-pyrazole, DIMETHYL SULFOXIDE, SULFATE ION, ... | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2024-04-03 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2M
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![BU of 7h2m by Molmil](/molmil-images/mine/7h2m) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z228586974 | 分子名称: | (3-fluorophenyl)(piperazin-1-yl)methanone, DIMETHYL SULFOXIDE, Serine protease NS3, ... | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2024-04-03 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.712 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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5M5B
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![BU of 5m5b by Molmil](/molmil-images/mine/5m5b) | Crystal structure of Zika virus NS5 methyltransferase | 分子名称: | CHLORIDE ION, GLYCEROL, NS5 methyltransferase, ... | 著者 | Barral, K, Ortiz Lombardia, M, Coutard, B, Decroly, E, Lichiere, J. | 登録日 | 2016-10-21 | 公開日 | 2016-12-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives. J. Virol., 91, 2017
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1F4S
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![BU of 1f4s by Molmil](/molmil-images/mine/1f4s) | STRUCTURE OF TRANSCRIPTIONAL FACTOR ALCR IN COMPLEX WITH A TARGET DNA | 分子名称: | DNA (5'-D(P*CP*GP*TP*GP*CP*GP*GP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*GP*CP*AP*CP*G)-3'), ETHANOL REGULON TRANSCRIPTIONAL FACTOR, ... | 著者 | Cahuzac, B, Cerdan, R, Felenbok, B, Guittet, E. | 登録日 | 2000-06-09 | 公開日 | 2001-09-28 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structure of an AlcR-DNA complex sheds light onto the unique tight and monomeric DNA binding of a Zn(2)Cys(6) protein. Structure, 9, 2001
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6I4P
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![BU of 6i4p by Molmil](/molmil-images/mine/6i4p) | Crystal structure of the disease-causing G194C mutant of the human dihydrolipoamide dehydrogenase | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | 著者 | Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | 登録日 | 2018-11-10 | 公開日 | 2019-11-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. Hum.Mol.Genet., 28, 2019
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7GYZ
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![BU of 7gyz by Molmil](/molmil-images/mine/7gyz) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000035-001 | 分子名称: | N-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-N'-(1H-pyrazolo[3,4-b]pyridin-5-yl)urea, Papain-like protease nsp3 | 著者 | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | 登録日 | 2024-01-23 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.123 Å) | 主引用文献 | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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5LC8
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![BU of 5lc8 by Molmil](/molmil-images/mine/5lc8) | Crystal Structure of specific mutant from Pseudomonas aeruginosa Lipoxygenase at 1.8A resolution | 分子名称: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, Arachidonate 15-lipoxygenase, DI(HYDROXYETHYL)ETHER, ... | 著者 | Kalms, J, Banthiya, S, Galemou Yoga, E, Kuhn, H, Scheerer, P. | 登録日 | 2016-06-20 | 公開日 | 2017-01-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The crystal structure of Pseudomonas aeruginosa lipoxygenase Ala420Gly mutant explains the improved oxygen affinity and the altered reaction specificity. Biochim. Biophys. Acta, 1862, 2017
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8HQR
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![BU of 8hqr by Molmil](/molmil-images/mine/8hqr) | |
1F5E
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![BU of 1f5e by Molmil](/molmil-images/mine/1f5e) | STRUCTURE OF TRANSCRIPTIONAL FACTOR ALCR IN COMPLEX WITH A TARGET DNA | 分子名称: | DNA (5'-D(P*CP*GP*TP*GP*CP*GP*GP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*GP*CP*AP*CP*G)-3'), ETHANOL REGULON TRANSCRIPTIONAL FACTOR, ... | 著者 | Cahuzac, B, Cerdan, R, Felenbok, B, Guittet, E. | 登録日 | 2000-06-14 | 公開日 | 2001-09-28 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structure of an AlcR-DNA complex sheds light onto the unique tight and monomeric DNA binding of a Zn(2)Cys(6) protein. Structure, 9, 2001
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2IZS
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![BU of 2izs by Molmil](/molmil-images/mine/2izs) | Structure of casein kinase gamma 3 in complex with inhibitor | 分子名称: | CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | 登録日 | 2006-07-26 | 公開日 | 2006-08-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Inhibitor Binding by Casein Kinases To be Published
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7H2C
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![BU of 7h2c by Molmil](/molmil-images/mine/7h2c) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1328968520 | 分子名称: | 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole, DIMETHYL SULFOXIDE, Serine protease NS3, ... | 著者 | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2024-04-03 | 公開日 | 2024-05-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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6S7E
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![BU of 6s7e by Molmil](/molmil-images/mine/6s7e) | Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana (using PEG 3350 and NaF as precipitants) | 分子名称: | FE (III) ION, Plant cysteine oxidase 4 | 著者 | White, M.D, Levy, C.W, Flashman, E, McDonough, M.A. | 登録日 | 2019-07-04 | 公開日 | 2020-07-22 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity. Proc.Natl.Acad.Sci.USA, 117, 2020
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