5RHU
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1703168683 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-(3-fluoro-4-methylphenyl)methanesulfonamide, ... | 著者 | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | 登録日 | 2020-05-25 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7ZLD
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8PN6
| Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus | 分子名称: | Genome polyprotein, Serine protease subunit NS2B | 著者 | Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-06-29 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus To Be Published
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5RHW
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z31222641 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, NS3 Helicase, ... | 著者 | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | 登録日 | 2020-05-25 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5JRZ
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7G9Z
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1216822028 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine, ... | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-07-03 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.622 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5RHT
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z291279160 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-[2-(trifluoromethyloxy)phenyl]thiourea, ... | 著者 | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | 登録日 | 2020-05-25 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7H24
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1165350851 | 分子名称: | 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, 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 (1.64 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7ZQF
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2206 | 分子名称: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-[(3-azanyl-4-oxidanyl-phenyl)methyl]-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, GLYCEROL, Serine protease NS3, ... | 著者 | Huber, S, Steinmetzer, T. | 登録日 | 2022-04-29 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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5RHM
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1454310449 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine, ... | 著者 | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | 登録日 | 2020-05-25 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7H1H
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1201620232 | 分子名称: | 5-methoxy-1,3-benzothiazol-2-amine, 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 (1.684 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7G9U
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z55222357 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide, ... | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-07-03 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.689 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7ZV4
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2195 | 分子名称: | 1-[(5R,8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-5-(cyclohexylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | 著者 | Huber, S, Steinmetzer, T. | 登録日 | 2022-05-13 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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7ZNO
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7H2O
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z234898257 | 分子名称: | DIMETHYL SULFOXIDE, N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine, 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 (1.707 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2A
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1269220427 | 分子名称: | 8-(methanesulfonyl)quinoline, 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 (1.709 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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5RHV
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z62645406 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide, ... | 著者 | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | 登録日 | 2020-05-25 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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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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7H2N
| PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z228587394 | 分子名称: | 4-methoxy-2-(piperazin-1-yl)pyrimidine, 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 (1.73 Å) | 主引用文献 | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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5RHX
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1324080698 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-fluoro-5-methylbenzene-1-sulfonamide, ... | 著者 | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | 登録日 | 2020-05-25 | 公開日 | 2020-06-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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6KK6
| Crystal structure of Zika NS2B-NS3 protease with compound 16 | 分子名称: | 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, GLYCEROL, NS3 protease, ... | 著者 | Quek, J.P. | 登録日 | 2019-07-23 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses. Chemmedchem, 15, 2020
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6KK4
| Crystal structure of Zika NS2B-NS3 protease with compound 9 | 分子名称: | 1-[(9~{R},16~{S},19~{S})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine, GLYCEROL, NS3 protease, ... | 著者 | Quek, J.P. | 登録日 | 2019-07-23 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses. Chemmedchem, 15, 2020
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7G9V
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z383202616 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-(1H-indazol-6-yl)acetamide, ... | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-07-03 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7G9P
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1619958679 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide, ... | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-07-03 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.743 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GA6
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1509711879 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one, ... | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-07-03 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.749 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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