4TXW
 
 | | Crystal structure of CBM32-4 from the Clostridium perfringens NagH | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Hyaluronoglucosaminidase | | Authors: | Grondin, J.M, Ficko-Blean, E, Boraston, A.B, Smith, S.P. | | Deposit date: | 2014-07-07 | | Release date: | 2015-12-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Solution Structure and Dynamics of Full-length GH84A, a multimodular B-N-acetylglucosaminidase from Clostridium perfringens
To Be Published
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4UAP
 | | X-ray structure of GH31 CBM32-2 bound to GalNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Grondin, J.M, Abe, K, Boraston, A.B, Smith, S.P. | | Deposit date: | 2014-08-11 | | Release date: | 2015-10-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
PLoS ONE, 12, 2017
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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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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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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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4UTF
 | | Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine and alpha- 1,2-mannobiose | | Descriptor: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ... | | Authors: | Cuskin, F, Lowe, E.C, Temple, M.J, Zhu, Y, Pudlo, N.A, Cameron, E.A, Urs, K, Thompson, A.J, Cartmell, A, Rogowski, A, Tolbert, T, Piens, K, Bracke, D, Vervecken, W, Hakki, Z, Speciale, G, Munoz-Munoz, J.L, Pena, M.J, McLean, R, Suits, M.D, Boraston, A.B, Atherly, T, Ziemer, C.J, Williams, S.J, Davies, G.J, Abbott, D.W, Martens, E.C, Gilbert, H.J. | | Deposit date: | 2014-07-21 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
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3B7A
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3B88
 | | Complex of T57A Substituted Drosophila LUSH Protein with Ethanol | | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, General odorant-binding protein lush | | Authors: | Jones, D.N.M, Thode, A.B. | | Deposit date: | 2007-10-31 | | Release date: | 2008-02-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The role of multiple hydrogen-bonding groups in specific alcohol binding sites in proteins: insights from structural studies of LUSH.
J.Mol.Biol., 376, 2008
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3BBH
 | | M. jannaschii Nep1 complexed with Sinefungin | | Descriptor: | GLYCEROL, Ribosome biogenesis protein NEP1-like, SINEFUNGIN | | Authors: | Taylor, A.B, Meyer, B, Leal, B.Z, Kotter, P, Hart, P.J, Entian, K.-D, Wohnert, J. | | Deposit date: | 2007-11-09 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The crystal structure of Nep1 reveals an extended SPOUT-class methyltransferase fold and a pre-organized SAM-binding site.
Nucleic Acids Res., 36, 2008
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3BBE
 | | M. jannaschii Nep1 | | Descriptor: | GLYCEROL, Ribosome biogenesis protein NEP1-like | | Authors: | Taylor, A.B, Meyer, B, Leal, B.Z, Kotter, P, Hart, P.J, Entian, K.-D, Wohnert, J. | | Deposit date: | 2007-11-09 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of Nep1 reveals an extended SPOUT-class methyltransferase fold and a pre-organized SAM-binding site.
Nucleic Acids Res., 36, 2008
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3BLV
 | | Yeast Isocitrate Dehydrogenase with Citrate Bound in the Regulatory Subunits | | Descriptor: | CITRATE ANION, Isocitrate dehydrogenase [NAD] subunit 1, Isocitrate dehydrogenase [NAD] subunit 2 | | Authors: | Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L. | | Deposit date: | 2007-12-11 | | Release date: | 2008-02-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
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3BLX
 | | Yeast Isocitrate Dehydrogenase (Apo Form) | | Descriptor: | Isocitrate dehydrogenase [NAD] subunit 1, Isocitrate dehydrogenase [NAD] subunit 2 | | Authors: | Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L. | | Deposit date: | 2007-12-11 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
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3BLW
 | | Yeast Isocitrate Dehydrogenase with Citrate and AMP Bound in the Regulatory Subunits | | Descriptor: | ADENOSINE MONOPHOSPHATE, CITRATE ANION, Isocitrate dehydrogenase [NAD] subunit 1, ... | | Authors: | Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L. | | Deposit date: | 2007-12-11 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
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3CQQ
 | | Human SOD1 G85R Variant, Structure II | | Descriptor: | ACETYL GROUP, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Cao, X, Antonyuk, S, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-04-03 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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3B6X
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3CQP
 | | Human SOD1 G85R Variant, Structure I | | Descriptor: | COPPER (II) ION, MALONATE ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | Cao, X, Antonyuk, S, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-04-03 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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3BBD
 | | M. jannaschii Nep1 complexed with S-adenosyl-homocysteine | | Descriptor: | GLYCEROL, Ribosome biogenesis protein NEP1-like, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Taylor, A.B, Meyer, B, Leal, B.Z, Kotter, P, Hart, P.J, Entian, K.-D, Wohnert, J. | | Deposit date: | 2007-11-09 | | Release date: | 2008-02-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The crystal structure of Nep1 reveals an extended SPOUT-class methyltransferase fold and a pre-organized SAM-binding site.
Nucleic Acids Res., 36, 2008
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3B86
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3DDU
 | | Prolyl Oligopeptidase with GSK552 | | Descriptor: | (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one, ACETATE ION, GLYCEROL, ... | | Authors: | Madauss, K.P, Reid, R.A, Haffner, C.D, Miller, A.B. | | Deposit date: | 2008-06-06 | | Release date: | 2008-08-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Pyrrolidinyl pyridone and pyrazinone analogues as potent inhibitors of prolyl oligopeptidase (POP)
Bioorg.Med.Chem.Lett., 18, 2008
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3B87
 | | Complex of T57A Substituted Droposphila LUSH protein with Butanol | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, General odorant-binding protein lush | | Authors: | Jones, D.N.M, Thode, A.B. | | Deposit date: | 2007-10-31 | | Release date: | 2008-02-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The role of multiple hydrogen-bonding groups in specific alcohol binding sites in proteins: insights from structural studies of LUSH.
J.Mol.Biol., 376, 2008
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3DT3
 | | Human Estrogen receptor alpha LBD with GW368 | | Descriptor: | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol, Estrogen receptor | | Authors: | Williams, S.P, Miller, A.B. | | Deposit date: | 2008-07-14 | | Release date: | 2008-09-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis of 3-alkyl naphthalenes as novel estrogen receptor ligands.
Bioorg.Med.Chem.Lett., 18, 2008
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2V5D
 | | Structure of a Family 84 Glycoside Hydrolase and a Family 32 Carbohydrate-Binding Module in Tandem from Clostridium perfringens. | | Descriptor: | CALCIUM ION, O-GLCNACASE NAGJ | | Authors: | Ficko-Blean, E, Gregg, K.J, Adams, J.J, Hehemann, J.H, Smith, S.J, Czjzek, M, Boraston, A.B. | | Deposit date: | 2008-10-02 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Portrait of an Enzyme: A Complete Structural Analysis of a Multi-Modular Beta-N-Acetylglucosaminidase from Clostridium Perfringens
J.Biol.Chem., 284, 2009
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