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1IDV
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BU of 1idv by Molmil
NMR structure of HCV ires RNA domain IIIC
Descriptor: HEPATITIS C IRES RNA DOMAIN IIIC
Authors:Kaluarachchi, K, Rijnbrand, R, Lemon, S.M, Gorenstein, D.G.
Deposit date:2001-04-05
Release date:2001-10-05
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Mutational and structural analysis of stem-loop IIIC of the hepatitis C virus and GB virus B internal ribosome entry sites
J.Mol.Biol., 343, 2004
1R4H
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BU of 1r4h by Molmil
NMR Solution structure of the IIIc domain of GB Virus B IRES Element
Descriptor: 5'-R(*GP*GP*GP*CP*AP*AP*GP*CP*CP*C)-3'
Authors:Kaluarachchi, K, Thiviyanathan, V, Rijinbrand, R, Lemon, S.M, Gorenstein, D.G.
Deposit date:2003-10-06
Release date:2004-10-19
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Mutational and structural analysis of stem-loop IIIC of the hepatitis C virus and GB virus B internal ribosome entry sites.
J.Mol.Biol., 343, 2004
5JUN
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BU of 5jun by Molmil
PB2 bound to an azaindole inhibitor
Descriptor: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2016-05-10
Release date:2017-05-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
6VQN
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BU of 6vqn by Molmil
Co-crystal structure of human PD-L1 complexed with Compound A
Descriptor: N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1
Authors:White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K.
Deposit date:2020-02-05
Release date:2021-01-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1.
Nat Commun, 12, 2021
4P1U
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BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
Descriptor: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2014-02-27
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4NCM
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BU of 4ncm by Molmil
Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4NCE
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BU of 4nce by Molmil
Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
5J4Y
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BU of 5j4y by Molmil
The crystal structure of N-(4-(2-(thiazolo[5,4-c]pyridin-2-yl)phenoxy)phenyl)acetamide bound to JCV Helicase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide, ...
Authors:Ter Haar, E.
Deposit date:2016-04-01
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5J4V
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BU of 5j4v by Molmil
The crystal structure of Inhibitor Bound to JCV Helicase
Descriptor: 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, ...
Authors:Ter Haar, E.
Deposit date:2016-04-01
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5J47
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BU of 5j47 by Molmil
The X-ray structure of Inhibitor Bound to JCV Helicase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, Large T antigen, ...
Authors:Ter Haar, E.
Deposit date:2016-03-31
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5J40
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BU of 5j40 by Molmil
The X-ray structure of JCV Helicase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, SULFATE ION, ...
Authors:Ter Haar, E.
Deposit date:2016-03-31
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5JUR
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BU of 5jur by Molmil
PB2 bound to an azaindole inhibitor
Descriptor: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2016-05-10
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017

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