8AQK
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![BU of 8aqk by Molmil](/molmil-images/mine/8aqk) | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2258 | Descriptor: | (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, ... | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-08-12 | Release date: | 2022-12-21 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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8A15
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![BU of 8a15 by Molmil](/molmil-images/mine/8a15) | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2230 | Descriptor: | 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-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 | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-05-31 | Release date: | 2023-06-14 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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7H2G
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![BU of 7h2g by Molmil](/molmil-images/mine/7h2g) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1509195674 | Descriptor: | 4-[(3S)-piperidin-3-yl]-1H-indole, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7ZYS
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![BU of 7zys by Molmil](/molmil-images/mine/7zys) | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2227 | Descriptor: | 1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-05-25 | Release date: | 2022-07-13 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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8AQB
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![BU of 8aqb by Molmil](/molmil-images/mine/8aqb) | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2257 | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, ACETATE ION, Serine protease NS3, ... | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-08-11 | Release date: | 2022-12-21 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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5Y4Z
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![BU of 5y4z by Molmil](/molmil-images/mine/5y4z) | Crystal structure of the Zika virus NS3 helicase complex with AMPPNP | Descriptor: | MANGANESE (II) ION, NS3 helicase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Li, L. | Deposit date: | 2017-08-06 | Release date: | 2017-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural view of the helicase reveals that Zika virus uses a conserved mechanism for unwinding RNA Acta Crystallogr.,Sect.F, 74, 2018
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7OBV
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![BU of 7obv by Molmil](/molmil-images/mine/7obv) | |
7H2I
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![BU of 7h2i by Molmil](/molmil-images/mine/7h2i) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1587220559 | Descriptor: | 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2R
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![BU of 7h2r by Molmil](/molmil-images/mine/7h2r) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z31735562 | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.321 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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8AQA
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![BU of 8aqa by Molmil](/molmil-images/mine/8aqa) | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2260 | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Serine protease NS3, Serine protease subunit NS2B | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-08-11 | Release date: | 2022-12-21 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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7H27
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![BU of 7h27 by Molmil](/molmil-images/mine/7h27) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1203191681 | Descriptor: | DIMETHYL SULFOXIDE, N-[(1H-imidazol-2-yl)methyl]acetamide, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2E
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![BU of 7h2e by Molmil](/molmil-images/mine/7h2e) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1428159350 | Descriptor: | (1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H1V
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![BU of 7h1v by Molmil](/molmil-images/mine/7h1v) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z31113727 | Descriptor: | 1-(pyridin-2-yl)piperidin-4-one, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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5RHY
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![BU of 5rhy by Molmil](/molmil-images/mine/5rhy) | PanDDA analysis group deposition of ground-state model of Zika Virus NS3 Helicase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, NS3 Helicase, ... | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | Deposit date: | 2020-05-25 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
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7H2L
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![BU of 7h2l by Molmil](/molmil-images/mine/7h2l) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z19755216 | Descriptor: | 2-(3-fluorophenoxy)-N,N-dimethylacetamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.366 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H1U
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![BU of 7h1u by Molmil](/molmil-images/mine/7h1u) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z212053854 | Descriptor: | 1,2,3,4-tetrahydro-1,5-naphthyridine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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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 | Descriptor: | 4-(aminomethyl)-1-methylpyridinium, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.371 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H1S
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![BU of 7h1s by Molmil](/molmil-images/mine/7h1s) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57477251 | Descriptor: | 4-(piperazin-1-yl)quinoline, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.376 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H1Z
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![BU of 7h1z by Molmil](/molmil-images/mine/7h1z) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198149728 | Descriptor: | 4-ethenyl-1H-imidazole, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H1P
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![BU of 7h1p by Molmil](/molmil-images/mine/7h1p) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z425338146 | Descriptor: | 1-[4-(methylsulfonyl)phenyl]piperazine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7PFY
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![BU of 7pfy by Molmil](/molmil-images/mine/7pfy) | |
7ZW5
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![BU of 7zw5 by Molmil](/molmil-images/mine/7zw5) | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2259 | Descriptor: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(2-carbamimidamidoethyl)-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 | Authors: | Huber, S, Steinmetzer, T. | Deposit date: | 2022-05-18 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease. Arch Pharm, 2024
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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 | Descriptor: | DIMETHYL SULFOXIDE, N-(piperidin-4-yl)methanesulfonamide, SULFATE ION, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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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 | Descriptor: | 3-ethenyl-1,2-dimethyl-pyrazole, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H1W
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![BU of 7h1w by Molmil](/molmil-images/mine/7h1w) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270834034 | Descriptor: | (2R)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | 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. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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