1K2W
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4FNJ
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4JL3
| Crystal structure of ms6564-dna complex | Descriptor: | DNA (31-MER), Transcriptional regulator, TetR family | Authors: | Yang, S.F, Gao, Z.Q, He, Z.G, Dong, Y.H. | Deposit date: | 2013-03-12 | Release date: | 2013-06-26 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for interaction between Mycobacterium smegmatis Ms6564, a TetR family master regulator, and its target DNA. J.Biol.Chem., 288, 2013
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5M4W
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4UCU
| Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, 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 (2.1 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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3OTW
| Structural and Functional Studies of Helicobacter pylori Wild-Type and Mutated Proteins Phosphopantetheine adenylyltransferase | Descriptor: | COENZYME A, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Yin, H.S, Cheng, C.S, Chen, C.G, Luo, Y.C, Chen, W.T, Cheng, S.Y. | Deposit date: | 2010-09-14 | Release date: | 2011-09-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Studies of Helicobacter pylori Wild-Type and Mutated Proteins Phosphopantetheine adenylyltransferase To be Published
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4UCT
| Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, 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 (2.1 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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3HMV
| Catalytic domain of human phosphodiesterase 4B2B in complex with a tetrahydrobenzothiophene inhibitor | Descriptor: | (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLYCEROL, MAGNESIUM ION, ... | Authors: | Somers, D.O, Neu, M. | Deposit date: | 2009-05-29 | Release date: | 2010-06-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode Bioorg.Med.Chem., 17, 2009
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4OGB
| Crystal structure of the catalytic domain of PDE4D2 with compound 2 | Descriptor: | (2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Feil, S.C, Parker, M.W. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.032 Å) | Cite: | The PDE inhibition profile of LY294002 and tetrahydropyranyl analogues reveals a chromone motif for the development of PDE inhibitors To be Published
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4UCV
| Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, 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 (2.6 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCO
| Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-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 (2.5 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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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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4UCS
| Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-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 (1.9 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4CGR
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3GZI
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5A2S
| Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors | Descriptor: | (1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... | Authors: | Luckhurst, C.A, Breccia, P, Stott, A.J, Aziz, O, Birch, H, Burli, R.W, Hughes, S, Jarvis, R.E, Lamers, M, Leonard, P, Matthews, K.L, McAllister, G, Pollack, S, Saville-Stones, E, Wishart, G, Yates, D, Dominguez, C. | Deposit date: | 2015-05-22 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Potent, Selective, and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors. Acs Med.Chem.Lett., 7, 2016
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7KD1
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3HH1
| The Structure of a Tetrapyrrole methylase family protein domain from Chlorobium tepidum TLS | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Tetrapyrrole methylase family protein | Authors: | Cuff, M.E, Sather, A, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-05-14 | Release date: | 2009-07-07 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Structure of a Tetrapyrrole methylase family protein domain from Chlorobium tepidum TLS. TO BE PUBLISHED
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3NI7
| Crystal structure of the TetR transcriptional regulator from Nitrosomonas europaea ATCC 19718 | Descriptor: | Bacterial regulatory proteins, TetR family | Authors: | Knapik, A, Chruszcz, M, Cymborowski, M, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-06-15 | Release date: | 2010-08-11 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Crystal structure of the TetR transcriptional regulator from Nitrosomonas europaea ATCC 19718 To be Published
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6SQ0
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7BDZ
| X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (1) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Merlino, A, Ferraro, G. | Deposit date: | 2020-12-22 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7BEC
| Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (5) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Ferraro, G, Merlino, A. | Deposit date: | 2020-12-23 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7BEB
| Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme (4) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Ferraro, G, Merlino, A. | Deposit date: | 2020-12-23 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7BE2
| X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (6) | Descriptor: | ACETATE ION, GLYCEROL, Lysozyme, ... | Authors: | Loreto, D, Merlino, A, Ferraro, G. | Deposit date: | 2020-12-22 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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7BE1
| X-ray structure of Hen Egg White Lysozyme with dirhodium tetraacetate (3) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Lysozyme, ... | Authors: | Loreto, D, Merlino, A, Ferraro, G. | Deposit date: | 2020-12-22 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Unusual Structural Features in the Adduct of Dirhodium Tetraacetate with Lysozyme. Int J Mol Sci, 22, 2021
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