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3TYQ
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BU of 3tyq by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis c virus NS5B polymerase
Descriptor: 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Lesburg, C.A, Chen, K.X.
Deposit date:2011-09-26
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors.
J.Med.Chem., 55, 2012
3TYV
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BU of 3tyv by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus NS5B polymerase
Descriptor: N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Lesburg, C.A, Chen, K.X.
Deposit date:2011-09-26
Release date:2012-02-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.
J.Med.Chem., 55, 2012
4G6H
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BU of 4g6h by Molmil
Crystal structure of NDH with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Li, W, Feng, Y, Ge, J, Yang, M.
Deposit date:2012-07-19
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.262 Å)
Cite:Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
4G6G
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BU of 4g6g by Molmil
Crystal structure of NDH with TRT
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, MAGNESIUM ION, ...
Authors:Li, W, Feng, Y, Ge, J, Yang, M.
Deposit date:2012-07-19
Release date:2012-10-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
4G74
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BU of 4g74 by Molmil
Crystal structure of NDH with Quinone
Descriptor: 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
Authors:Li, W, Feng, Y, Ge, J, Yang, M.
Deposit date:2012-07-19
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
4G73
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BU of 4g73 by Molmil
Crystal structure of NDH with NADH and Quinone
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Li, W, Feng, Y, Ge, J, Yang, M.
Deposit date:2012-07-19
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.522 Å)
Cite:Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
3SKE
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BU of 3ske by Molmil
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
Descriptor: 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION
Authors:Lesburg, C.A, Anilkumar, G.N.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3SKH
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BU of 3skh by Molmil
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
Descriptor: 1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE
Authors:Lesburg, C.A, Anilkumar, G.N.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3SKA
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BU of 3ska by Molmil
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
Descriptor: 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION
Authors:Lesburg, C.A, Anilkumar, G.N.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
4PL3
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BU of 4pl3 by Molmil
Crystal structure of murine IRE1 in complex with MKC9989 inhibitor
Descriptor: 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
4PL4
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BU of 4pl4 by Molmil
Crystal structure of murine IRE1 in complex with OICR464 inhibitor
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
4PL5
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BU of 4pl5 by Molmil
Crystal structure of murine IRE1 in complex with OICR573 inhibitor
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
8I4L
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BU of 8i4l by Molmil
Capsid structure of the Cyanophage P-SCSP1u
Descriptor: The capsid protein(gp 19) of P-SCSP1u
Authors:Liu, H, Dang, S.
Deposit date:2023-01-19
Release date:2023-10-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Cryo-EM structure of cyanophage P-SCSP1u offers insights into DNA gating and evolution of T7-like viruses.
Nat Commun, 14, 2023
8I4M
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BU of 8i4m by Molmil
Portal-tail complex structure of the Cyanophage P-SCSP1u
Descriptor: Adaptor protein(gp22) of the cyanophage P-SCSP1u, Fiber protein(gp 28) of the cyanophage P-SCSP1u, Nozzle protein(gp 23) of the cyanophage P-SCSP1u, ...
Authors:Liu, H, Dang, S.
Deposit date:2023-01-19
Release date:2023-11-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Cryo-EM structure of cyanophage P-SCSP1u offers insights into DNA gating and evolution of T7-like viruses.
Nat Commun, 14, 2023
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