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3WDE
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BU of 3wde by Molmil
Mutant N-terminal domain of Mycobacterium tuberculosis ClpC1, F80Y, bound to Cyclomarin A
Descriptor: ACETATE ION, Cyclomarin A, Probable ATP-dependent Clp protease ATP-binding subunit
Authors:Vasudevan, D, Noble, C.G.
Deposit date:2013-06-14
Release date:2013-09-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural basis of mycobacterial inhibition by cyclomarin A
J.Biol.Chem., 288, 2013
3P97
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BU of 3p97 by Molmil
Dengue 3 NS5 Methyltransferase bound to the substrate S-Adenosyl methionine
Descriptor: Non-structural protein 5, S-ADENOSYLMETHIONINE
Authors:Noble, C.G, Yap, L.J, Lescar, J.
Deposit date:2010-10-16
Release date:2010-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small molecule inhibitors that selectively block dengue virus methyltransferase
J.Biol.Chem., 286, 2011
3P8Z
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BU of 3p8z by Molmil
Dengue Methyltransferase bound to a SAM-based inhibitor
Descriptor: (S)-2-amino-4-(((2S,3S,4R,5R)-5-(6-(3-chlorobenzylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid, Non-structural protein 5, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Noble, C.G, Yap, L.J, Lescar, J.
Deposit date:2010-10-15
Release date:2010-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small molecule inhibitors that selectively block dengue virus methyltransferase
J.Biol.Chem., 286, 2011
5JJR
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BU of 5jjr by Molmil
Dengue 3 NS5 protein with compound 29
Descriptor: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Lescar, J, El Sahili, A.
Deposit date:2016-04-25
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5JJS
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BU of 5jjs by Molmil
Dengue 3 NS5 protein with compound 27
Descriptor: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-{[(1R,3R)-3-methoxycyclohexyl]sulfonyl}benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Lescar, J, El Sahili, A.
Deposit date:2016-04-25
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5K5M
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BU of 5k5m by Molmil
Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, RNA Dependent RNA Polymerase, ...
Authors:Arora, R, Benson, T.E.
Deposit date:2016-05-23
Release date:2016-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling.
Plos Pathog., 12, 2016
6XD0
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BU of 6xd0 by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-434
Descriptor: 2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Arora, R, Benson, T.E, Liew, C.W, Lescar, J.
Deposit date:2020-06-09
Release date:2020-09-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.012 Å)
Cite:Two RNA Tunnel Inhibitors Bind in Highly Conserved Sites in Dengue Virus NS5 Polymerase: Structural and Functional Studies.
J.Virol., 94, 2020
6XD1
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BU of 6xd1 by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-640
Descriptor: (2R)-4-(butyl{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid, RNA-dependent RNA polymerase, ZINC ION
Authors:Arora, R, Benson, T.E, Liew, C.W, Lescar, J.
Deposit date:2020-06-09
Release date:2020-09-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Two RNA Tunnel Inhibitors Bind in Highly Conserved Sites in Dengue Virus NS5 Polymerase: Structural and Functional Studies.
J.Virol., 94, 2020
6VG5
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BU of 6vg5 by Molmil
DengueV-2 Capsid ST148 inhibitor Complex
Descriptor: 3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, Capsid premembrane protein, GLYCEROL, ...
Authors:White, M, Xia, H, Shi, P.
Deposit date:2020-01-07
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VSO
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BU of 6vso by Molmil
DengueV-2 Capsid Structure
Descriptor: Capsid premembrane protein, GLYCEROL, NITRATE ION
Authors:White, M, Xia, H, Shi, P.
Deposit date:2020-02-11
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
2KAP
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BU of 2kap by Molmil
Solution structure of DLC1-SAM
Descriptor: Rho GTPase-activating protein 7
Authors:Yang, S, Yang, D.
Deposit date:2008-11-12
Release date:2009-10-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Characterization of DLC1-SAM equilibrium unfolding at the amino acid residue level
Biochemistry, 48, 2009
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