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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3PE7
| Oligogalacturonate lyase in complex with manganese | Descriptor: | ACETATE ION, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Abbott, D.W, Gilbert, H.J, Boraston, A.B. | Deposit date: | 2010-10-25 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The active site of oligogalacturonate lyase provides unique insights into cytoplasmic oligogalacturonate beta-elimination. J.Biol.Chem., 285, 2010
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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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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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3GN4
| Myosin lever arm | Descriptor: | CALCIUM ION, Calmodulin, MAGNESIUM ION, ... | Authors: | Mukherjea, M, Llinas, P, Kim, H, Travaglia, M, Safer, D, Zong, A.B, Menetrey, J, Franzini-Armstrong, C, Selvin, P.R, Houdusse, A, Sweeney, H.L. | Deposit date: | 2009-03-16 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Myosin VI dimerization triggers an unfolding of a three-helix bundle in order to extend its reach Mol.Cell, 35, 2009
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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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3PU7
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3QRY
| Analysis of a new family of widely distributed metal-independent alpha mannosidases provides unique insight into the processing of N-linked glycans, Streptococcus pneumoniae SP_2144 1-deoxymannojirimycin complex | Descriptor: | 1,2-ETHANEDIOL, 1-DEOXYMANNOJIRIMYCIN, Putative uncharacterized protein | Authors: | Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2011-02-18 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans. J.Biol.Chem., 286, 2011
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7RMI
| SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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7RMG
| Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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7RMH
| Substance P bound to active human neurokinin 1 receptor in complex with miniGs399 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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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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3Q2X
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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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3DD5
| Glomerella cingulata E600-cutinase complex | Descriptor: | Cutinase, DIETHYL PHOSPHONATE | Authors: | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | Deposit date: | 2008-06-05 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad J.Mol.Biol., 385, 2009
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3Q6E
| Human insulin in complex with cucurbit[7]uril | Descriptor: | Insulin A chain, Insulin B chain, cucurbit[7]uril | Authors: | Chinai, J.M, Taylor, A.B, Hargreaves, N.D, Ryno, L.M, Morris, C.A, Hart, P.J, Urbach, A.R. | Deposit date: | 2010-12-31 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular recognition of insulin by a synthetic receptor. J.Am.Chem.Soc., 133, 2011
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3QQD
| Human SOD1 H80R variant, P212121 crystal form | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Schirf, V, Demeler, B, Carroll, M.C, Culotta, V.C, Hart, P.J. | Deposit date: | 2011-02-15 | Release date: | 2011-03-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Disrupted zinc-binding sites in structures of pathogenic SOD1 variants D124V and H80R. Biochemistry, 49, 2010
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7S6I
| SARS-CoV-2-6P-Mut2 S protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2021-09-14 | Release date: | 2022-05-11 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody. Proc.Natl.Acad.Sci.USA, 119, 2022
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