8BAR
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8BAS
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![BU of 8bas by Molmil](/molmil-images/mine/8bas) | E. coli C7 DarT1 in complex with carba-NAD and DNA | Descriptor: | 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*AP*GP*AP*C)-3'), ... | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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8BAT
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![BU of 8bat by Molmil](/molmil-images/mine/8bat) | Geobacter lovleyi NADAR | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Geobacter lovleyi NADAR | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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8BAQ
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![BU of 8baq by Molmil](/molmil-images/mine/8baq) | E. coli C7 DarT1 in complex with NAD+ | Descriptor: | 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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8BAU
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![BU of 8bau by Molmil](/molmil-images/mine/8bau) | Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose | Descriptor: | 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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8C1A
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8C19
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![BU of 8c19 by Molmil](/molmil-images/mine/8c19) | SARS-CoV-2 NSP3 macrodomain in complex with 1-methyl-4-[5-(morpholin-4-ylcarbonyl)-2-furyl]-1H-pyrrolo[2,3-b]pyridine | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 3, [5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone | Authors: | Schuller, M, Ahel, I. | Deposit date: | 2022-12-20 | Release date: | 2023-03-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors. Pathogens, 12, 2023
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2NOQ
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![BU of 2noq by Molmil](/molmil-images/mine/2noq) | Structure of ribosome-bound cricket paralysis virus IRES RNA | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S5, ... | Authors: | Schuler, M, Connell, S.R, Lescoute, A, Giesebrecht, J, Dabrowski, M, Schroeer, B, Mielke, T, Penczek, P.A, Westhof, E, Spahn, C.M.T. | Deposit date: | 2006-10-26 | Release date: | 2006-11-21 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (7.3 Å) | Cite: | Structure of the ribosome-bound cricket paralysis virus IRES RNA. Nat.Struct.Mol.Biol., 13, 2006
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5FQL
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![BU of 5fql by Molmil](/molmil-images/mine/5fql) | Insights into Hunter syndrome from the structure of iduronate-2- sulfatase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J. | Deposit date: | 2015-12-11 | Release date: | 2017-01-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into Hunter syndrome from the structure of iduronate-2-sulfatase. Nat Commun, 8, 2017
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4KOA
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![BU of 4koa by Molmil](/molmil-images/mine/4koa) | Crystal Structure Analysis of 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti | Descriptor: | 1,5-anhydro-D-fructose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Schu, M, Faust, A, Stosik, B, Kohring, G.-W, Giffhorn, F, Scheidig, A.J. | Deposit date: | 2013-05-11 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The structure of substrate-free 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti 1021 reveals an open enzyme conformation. Acta Crystallogr.,Sect.F, 69, 2013
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1D4Z
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![BU of 1d4z by Molmil](/molmil-images/mine/1d4z) | CRYSTAL STRUCTURE OF CHEY-95IV, A HYPERACTIVE CHEY MUTANT | Descriptor: | CHEMOTAXIS PROTEIN CHEY, SULFATE ION | Authors: | Schuster, M, Zhao, R, Bourret, R.B, Collins, E.J. | Deposit date: | 1999-10-06 | Release date: | 1999-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Correlated switch binding and signaling in bacterial chemotaxis. J.Biol.Chem., 275, 2000
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1SLJ
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![BU of 1slj by Molmil](/molmil-images/mine/1slj) | Solution structure of the S1 domain of RNase E from E. coli | Descriptor: | Ribonuclease E | Authors: | Schubert, M, Edge, R.E, Lario, P, Cook, M.A, Strynadka, N.C.J, Mackie, G.A, McIntosh, L.P. | Deposit date: | 2004-03-05 | Release date: | 2004-08-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural characterization of the RNase E S1 domain and identification of its oligonucleotide-binding and dimerization interfaces. J.Mol.Biol., 341, 2004
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1SN8
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![BU of 1sn8 by Molmil](/molmil-images/mine/1sn8) | Crystal structure of the S1 domain of RNase E from E. coli (Pb derivative) | Descriptor: | LEAD (II) ION, Ribonuclease E | Authors: | Schubert, M, Edge, R.E, Lario, P, Cook, M.A, Strynadka, N.C.J, Mackie, G.A, McIntosh, L.P. | Deposit date: | 2004-03-10 | Release date: | 2004-08-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of the RNase E S1 domain and identification of its oligonucleotide-binding and dimerization interfaces. J.Mol.Biol., 341, 2004
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1SMX
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![BU of 1smx by Molmil](/molmil-images/mine/1smx) | Crystal structure of the S1 domain of RNase E from E. coli (native) | Descriptor: | Ribonuclease E | Authors: | Schubert, M, Edge, R.E, Lario, P, Cook, M.A, Strynadka, N.C.J, Mackie, G.A, McIntosh, L.P. | Deposit date: | 2004-03-09 | Release date: | 2004-08-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural characterization of the RNase E S1 domain and identification of its oligonucleotide-binding and dimerization interfaces. J.Mol.Biol., 341, 2004
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2JPP
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![BU of 2jpp by Molmil](/molmil-images/mine/2jpp) | Structural basis of RsmA/CsrA RNA recognition: Structure of RsmE bound to the Shine-Dalgarno sequence of hcnA mRNA | Descriptor: | RNA (5'-R(*GP*GP*GP*CP*UP*UP*CP*AP*CP*GP*GP*AP*UP*GP*AP*AP*GP*CP*CP*C)-3'), Translational repressor | Authors: | Schubert, M, Lapouge, K, Duss, O, Oberstrass, F.C, Jelesarov, I, Haas, D, Allain, F.H.-T. | Deposit date: | 2007-05-21 | Release date: | 2007-08-21 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Molecular basis of messenger RNA recognition by the specific bacterial repressing clamp RsmA/CsrA Nat.Struct.Mol.Biol., 14, 2007
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5QHX
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![BU of 5qhx by Molmil](/molmil-images/mine/5qhx) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000278a | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QI1
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![BU of 5qi1 by Molmil](/molmil-images/mine/5qi1) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000474a | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QHT
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![BU of 5qht by Molmil](/molmil-images/mine/5qht) | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000065a | Descriptor: | 2-methoxy-4-morpholin-4-yl-aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QI8
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![BU of 5qi8 by Molmil](/molmil-images/mine/5qi8) | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000605a | Descriptor: | 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QI9
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![BU of 5qi9 by Molmil](/molmil-images/mine/5qi9) | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000711a | Descriptor: | (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QI2
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![BU of 5qi2 by Molmil](/molmil-images/mine/5qi2) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000110a | Descriptor: | 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QIA
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![BU of 5qia by Molmil](/molmil-images/mine/5qia) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000242a | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5S4J
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![BU of 5s4j by Molmil](/molmil-images/mine/5s4j) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054 | Descriptor: | 6-chlorotetrazolo[1,5-b]pyridazine, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.124 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S4I
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![BU of 5s4i by Molmil](/molmil-images/mine/5s4i) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF051 | Descriptor: | (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.131 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S4H
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![BU of 5s4h by Molmil](/molmil-images/mine/5s4h) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF048 | Descriptor: | 1-carbamoylpiperidine-4-carboxylic acid, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.175 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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