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5YVU
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BU of 5yvu by Molmil
Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
Descriptor: GLYCEROL, Genome polyprotein, Pancreatic trypsin inhibitor
Authors:Phoo, W.W, El Sahili, A.
Deposit date:2017-11-27
Release date:2018-11-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5YW1
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BU of 5yw1 by Molmil
Crystal structure of full length NS3 protein (eD4NS2BNS3) in complex with Bovine Pancreatic Trypsin Inhibitor
Descriptor: FLAVIVIRUS_NS2B, PTI protein, Peptidase S7
Authors:Phoo, W.W, El Sahili, A.
Deposit date:2017-11-28
Release date:2019-01-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5ZMQ
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BU of 5zmq by Molmil
Crystal structure of Zika NS3 protease with phenylacetyl-Lys-Lys-Arg-COOH inhibitor
Descriptor: Serine protease NS3, Serine protease subunit NS2B, peptide PAC-DLY-DLY-DAR
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-05
Release date:2018-10-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
5ZMS
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BU of 5zms by Molmil
Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H
Descriptor: 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H, NS3 protease, Serine protease subunit NS2B
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-05
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
7C2P
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BU of 7c2p by Molmil
Structure of Egk Peptide
Descriptor: Plant defensing Egk
Authors:El Sahili, A.
Deposit date:2020-05-08
Release date:2020-09-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin.
Acs Pharmacol Transl Sci, 3, 2020
8JCE
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BU of 8jce by Molmil
Cryo-EM Structure of Chikungunya Virus Nonstructural Protein 1 with m7GpppAmU
Descriptor: MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
Authors:Zhang, K, Law, M.C.Y, Nguyen, T.M, Tan, Y.B, Wirawan, M, Law, Y.S, Luo, D.H.
Deposit date:2023-05-11
Release date:2023-11-15
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Chikungunya virus nonstructural protein 1 is a versatile RNA capping and decapping enzyme.
J.Biol.Chem., 299, 2023
7DOC
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BU of 7doc by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 5
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Core protein, Genome polyprotein, ...
Authors:Quek, J.P.
Deposit date:2020-12-14
Release date:2021-04-14
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:2-Cyanoisonicotinamide Conjugation: A Facile Approach to Generate Potent Peptide Inhibitors of the Zika Virus Protease.
Acs Med.Chem.Lett., 12, 2021
6KK6
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BU of 6kk6 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 16
Descriptor: 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, ...
Authors:Quek, J.P.
Deposit date:2019-07-23
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
6KK4
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BU of 6kk4 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 9
Descriptor: 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, ...
Authors:Quek, J.P.
Deposit date:2019-07-23
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
6KK3
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BU of 6kk3 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 4
Descriptor: 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
Authors:Quek, J.P.
Deposit date:2019-07-23
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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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BU of 6kk5 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 15
Descriptor: 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
Authors:Quek, J.P.
Deposit date:2019-07-23
Release date:2020-06-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
6KK2
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BU of 6kk2 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 2
Descriptor: 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
Authors:Quek, J.P.
Deposit date:2019-07-23
Release date:2020-06-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
6KPQ
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BU of 6kpq by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 8
Descriptor: 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[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine, NS3 protease, Serine protease subunit NS2B
Authors:Quek, J.P.
Deposit date:2019-08-15
Release date:2020-06-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
8ILD
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BU of 8ild by Molmil
The crystal structure of native dGTP:DNApre-I:Pol X substrate ternary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*GP*AP*TP*CP*CP*T)-3'), MANGANESE (II) ION, ...
Authors:Qin, T, Chen, Y.Q, Gan, J.H, Huang, Z.
Deposit date:2023-03-03
Release date:2024-01-10
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
6JPW
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BU of 6jpw by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 1C
Descriptor: NS3 protease, SER-C0F-GLY-LYS-ARG-LYS, Serine protease subunit NS2B
Authors:Quek, J.P.
Deposit date:2019-03-28
Release date:2019-06-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Biocompatible Macrocyclization between Cysteine and 2-Cyanopyridine Generates Stable Peptide Inhibitors.
Org.Lett., 21, 2019
8ILH
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BU of 8ilh by Molmil
The crystal structure of dG(Se-Sp)-DNA:Pol X product binary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATE, DNA (5'-D(*CP*GP*GP*AP*TP*CP*C)-3'), MAGNESIUM ION, ...
Authors:Qin, T, Gan, J.H, Huang, Z.
Deposit date:2023-03-03
Release date:2024-01-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
8ILI
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BU of 8ili by Molmil
The crystal structure of dG(Se-Rp)-DNA:Pol X product binary complex
Descriptor: DNA (5'-D(*CP*GP*GP*AP*TP*CP*CP*(7S8))-3'), MAGNESIUM ION, Repair DNA polymerase X, ...
Authors:Qin, T, Gan, J.H, Huang, Z.
Deposit date:2023-03-03
Release date:2024-01-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
8ILE
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BU of 8ile by Molmil
The crystal structure of dGTPalphaSe-Rp:DNApre-II:Pol X substrate ternary complex
Descriptor: DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ...
Authors:Qin, T, Gan, J.H, Huang, Z.
Deposit date:2023-03-03
Release date:2024-01-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
8ILG
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BU of 8ilg by Molmil
The crystal structure of dG-DNA:Pol X product binary complex
Descriptor: DNA (5'-D(*CP*GP*GP*AP*TP*CP*CP*G)-3'), FORMIC ACID, MANGANESE (II) ION, ...
Authors:Qin, T, Gan, J.H, Huang, Z.
Deposit date:2023-03-03
Release date:2024-01-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
8ILF
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BU of 8ilf by Molmil
The crystal structure of dGTPalphaSe-Sp:DNApre-II:Pol X substrate ternary complex
Descriptor: DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ...
Authors:Qin, T, Zhao, Q.W, Gan, J.H, Huang, Z.
Deposit date:2023-03-03
Release date:2024-01-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
6JIM
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BU of 6jim by Molmil
Viral helicase protein
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM ION, CHLORIDE ION, ...
Authors:Law, Y.S.
Deposit date:2019-02-22
Release date:2019-04-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into RNA recognition by the Chikungunya virus nsP2 helicase.
Proc.Natl.Acad.Sci.USA, 116, 2019

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