4UCR
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![BU of 4ucr by Molmil](/molmil-images/mine/4ucr) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4LH7
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![BU of 4lh7 by Molmil](/molmil-images/mine/4lh7) | Crystal structure of a LigA inhibitor | Descriptor: | 4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | Authors: | Boriack-Sjodin, P.A, Prince, D.B. | Deposit date: | 2013-06-30 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations. Bioorg.Med.Chem.Lett., 24, 2014
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4LH6
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![BU of 4lh6 by Molmil](/molmil-images/mine/4lh6) | Crystal structure of a LigA inhibitor | Descriptor: | 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide, ACETATE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, ... | Authors: | Benenato, K, Wang, H, Mcguire, H.M, Davis, H, Gao, N, Prince, D.B, Jahic, H, Stokes, S.S, Boriack-Sjodin, P.A. | Deposit date: | 2013-06-30 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations. Bioorg.Med.Chem.Lett., 24, 2014
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3SGI
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![BU of 3sgi by Molmil](/molmil-images/mine/3sgi) | |
6IMN
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![BU of 6imn by Molmil](/molmil-images/mine/6imn) | The crystal structure of AsfvLIG:CT2 complex | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ... | Authors: | Chen, Y.Q, Gan, J.H. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues. Nat Commun, 10, 2019
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3BA8
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![BU of 3ba8 by Molmil](/molmil-images/mine/3ba8) | Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase | Descriptor: | 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | Authors: | Pinko, C. | Deposit date: | 2007-11-07 | Release date: | 2008-11-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase To be Published
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3BAB
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![BU of 3bab by Molmil](/molmil-images/mine/3bab) | Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase | Descriptor: | 7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | Authors: | Pinko, C. | Deposit date: | 2007-11-07 | Release date: | 2008-11-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase To be Published
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3BAA
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![BU of 3baa by Molmil](/molmil-images/mine/3baa) | Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase | Descriptor: | 7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | Authors: | Pinko, C. | Deposit date: | 2007-11-07 | Release date: | 2008-11-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase To be Published
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4EFE
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![BU of 4efe by Molmil](/molmil-images/mine/4efe) | crystal structure of DNA ligase | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, SULFATE ION, ... | Authors: | Wei, Y, Wang, T, Charifson, P, Xu, W. | Deposit date: | 2012-03-29 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | crystal structure of DNA ligase To be Published
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4EEQ
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![BU of 4eeq by Molmil](/molmil-images/mine/4eeq) | Crystal structure of E. faecalis DNA ligase with inhibitor | Descriptor: | 4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | Authors: | Wang, T, Charifson, P, Wei, Y. | Deposit date: | 2012-03-28 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis and Activity Evaluation of Potent NAD+ DNA Ligase Inhibitors as Potential Antibacterial Agents. To be Published
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4EFB
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![BU of 4efb by Molmil](/molmil-images/mine/4efb) | Crystal structure of DNA ligase | Descriptor: | 4-amino-2-(cyclopentyloxy)-6-{[(1R,2S)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | Authors: | Wei, Y, Wang, T, Charifson, P, Xu, W. | Deposit date: | 2012-03-29 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of DNA ligase To be Published
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7K72
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![BU of 7k72 by Molmil](/molmil-images/mine/7k72) | |
3QWU
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![BU of 3qwu by Molmil](/molmil-images/mine/3qwu) | Putative ATP-dependent DNA ligase from Aquifex aeolicus. | Descriptor: | ADENOSINE, CALCIUM ION, DNA ligase, ... | Authors: | Osipiuk, J, Quartey, P, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-02-28 | Release date: | 2011-03-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Putative ATP-dependent DNA ligase from Aquifex aeolicus. To be Published
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5OP0
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![BU of 5op0 by Molmil](/molmil-images/mine/5op0) | |
6BKG
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![BU of 6bkg by Molmil](/molmil-images/mine/6bkg) | Human LigIV catalytic domain with bound DNA-adenylate intermediate in closed conformation | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Moon, A.F, Tumbale, P.P, Schellenberg, M.J, Williams, R.S, Williams, J.G, Kunkel, T.A, Pedersen, L.C, Bebenek, B. | Deposit date: | 2017-11-08 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Structures of DNA-bound human ligase IV catalytic core reveal insights into substrate binding and catalysis. Nat Commun, 9, 2018
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6BKF
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![BU of 6bkf by Molmil](/molmil-images/mine/6bkf) | Lysyl-adenylate form of human LigIV catalytic domain with bound DNA substrate in open conformation | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Moon, A.F, Tumbale, P.P, Schellenberg, M.J, Williams, R.S, Williams, J.G, Kunkel, T.A, Pedersen, L.C, Bebenek, B. | Deposit date: | 2017-11-08 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structures of DNA-bound human ligase IV catalytic core reveal insights into substrate binding and catalysis. Nat Commun, 9, 2018
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4RKI
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![BU of 4rki by Molmil](/molmil-images/mine/4rki) | |
4S3I
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![BU of 4s3i by Molmil](/molmil-images/mine/4s3i) | |
2IRX
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![BU of 2irx by Molmil](/molmil-images/mine/2irx) | |
3RB9
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![BU of 3rb9 by Molmil](/molmil-images/mine/3rb9) | |
2IRY
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![BU of 2iry by Molmil](/molmil-images/mine/2iry) | |
2IRU
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![BU of 2iru by Molmil](/molmil-images/mine/2iru) | |
7FB7
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![BU of 7fb7 by Molmil](/molmil-images/mine/7fb7) | Crystal structure of human UHRF1 TTD in complex with 5-amino-2,4-dimethylpyridine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-amino-2,4-dimethylpyridine, DIMETHYL SULFOXIDE, ... | Authors: | Kori, S, Arita, K, Yoshimi, S. | Deposit date: | 2021-07-08 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1. Bioorg.Med.Chem., 52, 2021
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1L7B
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![BU of 1l7b by Molmil](/molmil-images/mine/1l7b) | Solution NMR Structure of BRCT Domain of T. Thermophilus: Northeast Structural Genomics Consortium Target WR64TT | Descriptor: | DNA LIGASE | Authors: | Sahota, G, Dixon, B.L, Huang, Y.P, Aramini, J, Monleon, D, Bhattacharya, D, Swapna, G.V.T, Yin, C, Xiao, R, Anderson, S, Tejero, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2002-03-14 | Release date: | 2003-09-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of the Brct Domain from Thermus Thermophilus DNA Ligase To be Published
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8BOT
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![BU of 8bot by Molmil](/molmil-images/mine/8bot) | |