7PFY
 
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7PG1
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7PFQ
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7PFZ
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7R1C
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7PGC
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7ZNO
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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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7ZVV
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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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7ZQ1
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2205 | | Descriptor: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-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 | | Authors: | Huber, S, Steinmetzer, T. | | Deposit date: | 2022-04-29 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
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7ZPD
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2293 | | Descriptor: | 1-[(8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-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: | 2022-04-27 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
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7ZQF
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2206 | | Descriptor: | 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, ... | | Authors: | Huber, S, Steinmetzer, T. | | Deposit date: | 2022-04-29 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
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7ZTM
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2128 | | Descriptor: | 1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-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: | 2022-05-10 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
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7ZUM
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2130 | | Descriptor: | 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 | | Authors: | Huber, S, Steinmetzer, T. | | Deposit date: | 2022-05-12 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
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7ZV4
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2195 | | Descriptor: | 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 | | Authors: | Huber, S, Steinmetzer, T. | | Deposit date: | 2022-05-13 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
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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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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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7ZWK
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2162 | | 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: | 2022-05-19 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2162
To Be Published
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7OHF
 | | Cryo-EM structure of pyrococcus furiosus apoferritin in nanofluidic channels | | Descriptor: | Ferritin | | Authors: | Huber, S.T, Sarajlic, E, Huijink, R, Evers, W.H, Jakobi, A.J. | | Deposit date: | 2021-05-10 | | Release date: | 2021-08-11 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Nanofluidic chips for cryo-EM structure determination from picoliter sample volumes.
Elife, 11, 2022
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6Y3B
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2110 | | Descriptor: | 1-[(8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-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, Genome polyprotein, ... | | Authors: | Huber, S, Heine, A, Steinmetzer, T. | | Deposit date: | 2020-02-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
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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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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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6ZH3
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7ZLD
 | | Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Inhibitor MI-2223 | | Descriptor: | (2~{S})-2-[2-[3-(aminomethyl)phenyl]ethanoylamino]-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-[[(5~{R})-6-azanyl-5-carbamimidamido-6-oxidanylidene-hexyl]amino]-1-oxidanylidene-hexan-2-yl]hexanamide, Serine protease NS3, Serine protease subunit NS2B | | Authors: | Huber, S, Steinmetzer, T. | | Deposit date: | 2022-04-14 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Thermodynamic characterization of a macrocyclic Zika virus NS2B/NS3 protease inhibitor and its acyclic analogs.
Arch Pharm, 356, 2023
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