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PDB: 176 件
7GA4
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56823075
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
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
7ZLC
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Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Inhibitor MI-2224
分子名称: (2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Steinmetzer, T.
登録日2022-04-14
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thermodynamic characterization of a macrocyclic Zika virus NS2B/NS3 protease inhibitor and its acyclic analogs.
Arch Pharm, 356, 2023
7ZUM
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Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2130
分子名称: 1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(1H-indol-3-ylmethyl)-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2022-05-12
公開日2023-03-22
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
7ZVV
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Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2196
分子名称: (2R)-6-azanyl-2-carbamimidamido-hexanoic acid, 2-[3-(aminomethyl)phenyl]ethanoic acid, 3-cyano-L-phenylalanine, ...
著者Huber, S, Steinmetzer, T.
登録日2022-05-17
公開日2023-05-24
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
6ADX
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Crystal structure of the Zika virus NS3 helicase (ADP-Mn2+ complex, form 1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Serine protease NS3
著者Fang, J, Lu, G, Gong, P.
登録日2018-08-02
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Crystallographic Snapshots of the Zika Virus NS3 Helicase Help Visualize the Reactant Water Replenishment.
ACS Infect Dis, 5, 2019
7H2J
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1787627869
分子名称: 5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-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 (1.762 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7H29
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1269184613
分子名称: 1,3-benzothiazole-6-sulfonamide, 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 (1.77 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7VLG
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Crystal structure of Zika NS2B-NS3 protease with compound MI2201
分子名称: 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-5-propan-2-yl-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, NS3 protease, SULFATE ION, ...
著者Quek, J.P.
登録日2021-10-02
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
5JPS
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Structure of the Zika Virus NS3 Helicase Domain
分子名称: ns3 helicase
著者Jia, Z, Wang, J.
登録日2016-05-04
公開日2017-05-17
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of the Zika Virus NS3 Helicase Domain
To Be Published
7G9R
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z385450668
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(difluoromethoxy)benzene-1-sulfonamide, ...
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 (1.798 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7H28
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1216833237
分子名称: DIMETHYL SULFOXIDE, N-methylisoquinolin-1-amine, 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 (1.799 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
5ZMS
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Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H
分子名称: 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H, NS3 protease, Serine protease subunit NS2B
著者Phoo, W.W, Wirawan, M.
登録日2018-04-05
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
7G9X
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z905065822
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione, 1,2-ETHANEDIOL, ...
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 (1.809 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GA3
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z3241250482
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,1-bis(oxidanylidene)thietan-3-ol, 1,2-ETHANEDIOL, ...
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 (1.809 Å)
主引用文献PanDDA analysis group deposition
To Be Published
8V7U
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PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784
分子名称: 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, DIMETHYL SULFOXIDE, ...
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2023-12-04
公開日2023-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z729726784
To Be Published
7G9Y
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z2678251369
分子名称: 1,2-ETHANEDIOL, 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ...
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 (1.83 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5GJ4
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Structure of NS2B-NS3 Protease from Zika Virus caught after self-cleavage
分子名称: CHLORIDE ION, Serine protease NS3, Serine protease subunit NS2B
著者Phoo, W.W, Li, Y.
登録日2016-06-27
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献Structure of the NS2B-NS3 protease from Zika virus after self-cleavage.
Nat Commun, 7, 2016
7GA5
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z119989094
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(piperazin-1-yl)-1,3-benzothiazole, ...
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 (1.843 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7H26
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PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198317053
分子名称: (5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid, 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 (1.849 Å)
主引用文献PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
7G9W
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z444860982
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine, ...
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 (1.855 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5K6K
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Zika virus non-structural protein 1 (NS1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
著者Akey, D.L, Brown, W.C, Smith, J.L.
登録日2016-05-24
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Extended surface for membrane association in Zika virus NS1 structure.
Nat.Struct.Mol.Biol., 23, 2016
7VXX
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Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine
分子名称: P-AMINO BENZAMIDINE, Serine protease NS3, Serine protease subunit NS2B
著者Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C.
登録日2021-11-13
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Bioorg.Chem., 128, 2022
6L4Z
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Crystal structure of Zika NS2B-NS3 protease with compound 6
分子名称: 4-(hydroxymethyl)benzoic acid, Genome polyprotein
著者Quek, J.P.
登録日2019-10-21
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
6ADY
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Crystal structure of the Zika virus NS3 helicase (ADP-Mn2+ complex, form 2)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Serine protease NS3
著者Fang, J, Lu, G, Gong, P.
登録日2018-08-02
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic Snapshots of the Zika Virus NS3 Helicase Help Visualize the Reactant Water Replenishment.
ACS Infect Dis, 5, 2019
5YOD
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Crystal structure of zika virus NS3 protease in complex with a small molecule inhibitor
分子名称: BENZOIC ACID, NS2B cofactor, NS3 protease
著者Phoo, W.W, Zhang, Z.Z.
登録日2017-10-27
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018

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