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5IQ6
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BU of 5iq6 by Molmil
Crystal structure of Dengue virus serotype 3 RNA dependent RNA polymerase bound to HeE1-2Tyr, a new pyridobenzothizole inhibitor
Descriptor: N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine, RNA dependent RNA polymerase, ZINC ION
Authors:Tarantino, D, Mastrangelo, E, Milani, M.
Deposit date:2016-03-10
Release date:2016-10-05
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Targeting flavivirus RNA dependent RNA polymerase through a pyridobenzothiazole inhibitor.
Antiviral Res., 134, 2016
4LQ9
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BU of 4lq9 by Molmil
Crystal structure of human norovirus RNA-dependent RNA-polymerase in complex with NAF2
Descriptor: MAGNESIUM ION, RNA-dependent RNA-polymerase, naphthalene-1,5-disulfonic acid
Authors:Milani, M, Tarantino, D, Mastrangelo, E, Croci, R.
Deposit date:2013-07-17
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase.
Antiviral Res., 102, 2014
4LQ3
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BU of 4lq3 by Molmil
Crystal structure of human norovirus RNA-dependent RNA-polymerase bound to the inhibitor PPNDS
Descriptor: 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, 5'-R(P*GP*G)-3', MAGNESIUM ION, ...
Authors:Milani, M, Tarantino, D, Mastrangelo, E, Croci, R.
Deposit date:2013-07-17
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase.
Antiviral Res., 102, 2014
6TV0
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BU of 6tv0 by Molmil
Serratia spp. cyanase hydratase
Descriptor: Cyanate hydratase, GLYCEROL, OXALIC ACID
Authors:Pederzoli, R, Tarantino, D, Gourlay, L.J, Chaves-Sanjuan, A, Bolognesi, M.
Deposit date:2020-01-08
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Detecting the nature and solving the crystal structure of a contaminant protein from an opportunistic pathogen.
Acta Crystallogr.,Sect.F, 76, 2020
4NRT
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BU of 4nrt by Molmil
Human Norovirus polymerase bound to Compound 6 (suramin derivative)
Descriptor: 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, hNV-RdRp
Authors:Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Milani, M, Bolognesi, M.
Deposit date:2013-11-27
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.022 Å)
Cite:Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.
Plos One, 9, 2014
4O4R
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BU of 4o4r by Molmil
Murine Norovirus RdRp in complex with PPNDS
Descriptor: 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, RNA-dependent-RNA-polymerase, SULFATE ION
Authors:Croci, R, Tarantino, D, Milani, M, Pezzullo, M, Bolognesi, M, Mastrangelo, E.
Deposit date:2013-12-19
Release date:2014-11-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:PPNDS inhibits murine Norovirus RNA-dependent RNA-polymerase mimicking two RNA stacking bases.
Febs Lett., 588, 2014
4NRU
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BU of 4nru by Molmil
Murine Norovirus RNA-dependent-RNA-polymerase in complex with Compound 6, a suramin derivative
Descriptor: 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, MAGNESIUM ION, RNA dependent RNA polymerase
Authors:Milani, M, Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Bolognesi, M.
Deposit date:2013-11-27
Release date:2014-10-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.
Plos One, 9, 2014
7QK0
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BU of 7qk0 by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 12a
Descriptor: (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ...
Authors:Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2021-12-17
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .
J.Med.Chem., 65, 2022
8C78
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BU of 8c78 by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound CCT374705
Descriptor: (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ...
Authors:Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2023-01-13
Release date:2023-04-26
Last modified:2023-05-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of an In Vivo Chemical Probe for BCL6 Inhibition by Optimization of Tricyclic Quinolinones.
J.Med.Chem., 66, 2023
3UR0
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BU of 3ur0 by Molmil
Crystal structures of murine norovirus RNA-dependent RNA polymerase in complex with Suramin
Descriptor: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, RNA-dependent RNA polymerase, SULFATE ION
Authors:Milani, M, Mastrangelo, E, Bolognesi, M.
Deposit date:2011-11-21
Release date:2012-05-02
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Based Inhibition of Norovirus RNA-Dependent RNA Polymerases.
J.Mol.Biol., 419, 2012
3UPF
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BU of 3upf by Molmil
Crystal structure of murine norovirus RNA-dependent RNA polymerase bound to NF023
Descriptor: 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid, RNA-dependent RNA polymerase, SULFATE ION
Authors:Milani, M, Mastrangelo, E, Bolognesi, M.
Deposit date:2011-11-18
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Inhibition of Norovirus RNA-Dependent RNA Polymerases.
J.Mol.Biol., 419, 2012
3UQS
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BU of 3uqs by Molmil
Crystal structures of murine norovirus RNA-dependent RNA polymerase
Descriptor: RNA-dependent RNA polymerase, SULFATE ION
Authors:Milani, M, Mastrangelo, E, Bolognesi, M.
Deposit date:2011-11-21
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Inhibition of Norovirus RNA-Dependent RNA Polymerases.
J.Mol.Biol., 419, 2012

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