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PDB: 176 件

5U04
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Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase
分子名称: PHOSPHATE ION, ZINC ION, Zika Virus NS5 RdRp
著者Godoy, A.S, Lima, G.M.A, Oliveira, K.I.Z, Torres, N.U, Maluf, F.V, Guido, R.V.C, Oliva, G.
登録日2016-11-22
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase.
Nat Commun, 8, 2017
7O2M
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Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2289
分子名称: 1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine, Genome polyprotein
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-03-30
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
8Y9V
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ZIKV NS2B/NS3 protease
分子名称: DAR-LYS-ORN-ARG, Serine protease NS3, Serine protease subunit NS2B
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
7VXY
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Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR
分子名称: Peptide inhibitor, 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 (1.901 Å)
主引用文献Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Bioorg.Chem., 128, 2022
7DOC
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Crystal structure of Zika NS2B-NS3 protease with compound 5
分子名称: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Core protein, Genome polyprotein, ...
著者Quek, J.P.
登録日2020-12-14
公開日2021-04-14
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献2-Cyanoisonicotinamide Conjugation: A Facile Approach to Generate Potent Peptide Inhibitors of the Zika Virus Protease.
Acs Med.Chem.Lett., 12, 2021
7G9T
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z18618496
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Serine protease NS3, ...
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 (1.904 Å)
主引用文献PanDDA analysis group deposition
To Be Published
6MH3
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The crystal structure of Zika virus NS3 helicase domain
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
著者Oliva, G, Mesquita, N, Godoy, A.
登録日2018-09-17
公開日2018-10-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The crystal structure of Zika virus NS3 helicase domain
To Be Published
8UM3
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PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-chlorotetrazolo[1,5-b]pyridazine, ...
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2023-10-17
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.925 Å)
主引用文献PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992
To Be Published
7G9O
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z133716556
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide, ...
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 (1.931 Å)
主引用文献PanDDA analysis group deposition
To Be Published
6L50
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Crystal structure of Zika NS2B-NS3 protease with compound 16
分子名称: 2-sulfanylidene-1,3-thiazolidin-4-one, NS3 protease, Serine protease subunit NS2B
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 (1.95 Å)
主引用文献Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
7PG1
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Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2221
分子名称: Inhibitor MI-2221, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-08-12
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7O55
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Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2231
分子名称: Inhibitor MI-2231, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-04-07
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
6JPW
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Crystal structure of Zika NS2B-NS3 protease with compound 1C
分子名称: NS3 protease, SER-C0F-GLY-LYS-ARG-LYS, Serine protease subunit NS2B
著者Quek, J.P.
登録日2019-03-28
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Biocompatible Macrocyclization between Cysteine and 2-Cyanopyridine Generates Stable Peptide Inhibitors.
Org.Lett., 21, 2019
7GA0
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z2048325751
分子名称: (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine, (4S)-2-METHYL-2,4-PENTANEDIOL, 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 (1.967 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5ZMQ
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Crystal structure of Zika NS3 protease with phenylacetyl-Lys-Lys-Arg-COOH inhibitor
分子名称: Serine protease NS3, Serine protease subunit NS2B, peptide PAC-DLY-DLY-DAR
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 (1.987 Å)
主引用文献Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
8PEM
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Zika Methyltransferase in complex with AT-9010 and SAH
分子名称: MAGNESIUM ION, RNA-directed RNA polymerase NS5, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Krejcova, K, Boura, E, Klima, M.
登録日2023-06-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Zika Methyltransferase in complex with AT-9010 and SAH
to be published
7ZWK
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Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2162
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, SULFATE ION, Serine protease NS3, ...
著者Huber, S, Steinmetzer, T.
登録日2022-05-19
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2162
To Be Published
5ZOB
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Crystal structure of Zika NS3 protease with 4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenzylamide
分子名称: 4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenzylamide, NS3 protease, Serine protease subunit NS2B
著者Phoo, W.W, Wirawan, M.
登録日2018-04-12
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
5VI7
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Crystal structure of the Zika virus NS3 helicase
分子名称: SULFATE ION, helicase
著者Bukrejewska, M, Derewenda, U, Derewenda, Z.S.
登録日2017-04-14
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Crystal structures of the methyltransferase and helicase from the ZIKA 1947 MR766 Uganda strain.
Acta Crystallogr D Struct Biol, 73, 2017
6KK2
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Crystal structure of Zika NS2B-NS3 protease with compound 2
分子名称: 1-[(10~{S},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine, NS3 protease, Serine protease subunit NS2B
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 (2.02 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
6KK5
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Crystal structure of Zika NS2B-NS3 protease with compound 15
分子名称: 1-[(5~{S},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, NS3 protease, Serine protease subunit NS2B
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 (2.03 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
7GA2
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with POB0008
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Serine protease NS3, ...
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 (2.034 Å)
主引用文献PanDDA analysis group deposition
To Be Published
6KK3
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Crystal structure of Zika NS2B-NS3 protease with compound 4
分子名称: 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine, Genome polyprotein
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 (2.05 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
5Z0R
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Structural insight into the Zika virus capsid encapsulating the viral genome
分子名称: Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H.
登録日2017-12-20
公開日2018-04-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insight into the Zika virus capsid encapsulating the viral genome.
Cell Res., 28, 2018
7G9S
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PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z758198920
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-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 (2.09 Å)
主引用文献PanDDA analysis group deposition
To Be Published

222415

件を2024-07-10に公開中

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