8Q0E
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![BU of 8q0e by Molmil](/molmil-images/mine/8q0e) | |
4P9P
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![BU of 4p9p by Molmil](/molmil-images/mine/4p9p) | Structure of NavMS in complex with channel blocking compound | Descriptor: | BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-04-04 | Release date: | 2014-06-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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4PA3
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![BU of 4pa3 by Molmil](/molmil-images/mine/4pa3) | Structure of NavMS in complex with channel blocking compound | Descriptor: | BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-04-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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2YGT
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![BU of 2ygt by Molmil](/molmil-images/mine/2ygt) | Clostridium perfringens delta-toxin | Descriptor: | DELTA TOXIN, GLYCEROL, IMIDAZOLE, ... | Authors: | Huyet, J, Naylor, C.E, Gibert, M, Popoff, M.R, Basak, A.K. | Deposit date: | 2011-04-20 | Release date: | 2012-05-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights Into Clostridium Perfringens Delta Toxin Pore Formation. Plos One, 8, 2013
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4PA6
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![BU of 4pa6 by Molmil](/molmil-images/mine/4pa6) | Structure of NavMS pore and C-terminal domain crystallised in the presence of channel blocking compound | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-04-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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2YHJ
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![BU of 2yhj by Molmil](/molmil-images/mine/2yhj) | Clostridium perfringens Enterotoxin at 4.0 Angstrom Resolution | Descriptor: | HEAT-LABILE ENTEROTOXIN B CHAIN | Authors: | Briggs, D.C, Naylor, C.E, Smedley III, J.G, McClane, B.A, Basak, A.K. | Deposit date: | 2011-05-03 | Release date: | 2011-08-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structure of the Food-Poisoning Clostridium Perfringens Enterotoxin Reveals Similarity to the Aerolysin-Like Pore-Forming Toxins J.Mol.Biol., 413, 2011
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4P30
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![BU of 4p30 by Molmil](/molmil-images/mine/4p30) | Structure of NavMS mutant in presence of PI1 compound | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Bagneris, C, Naylor, C.E, Wallace, B.A. | Deposit date: | 2014-03-05 | Release date: | 2014-06-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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4P2Z
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![BU of 4p2z by Molmil](/molmil-images/mine/4p2z) | Structure of NavMS T207A/F214A | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Bagneris, C, Naylor, C.E, Wallace, B.A. | Deposit date: | 2014-03-05 | Release date: | 2014-06-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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4PA4
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![BU of 4pa4 by Molmil](/molmil-images/mine/4pa4) | Structure of NavMS in complex with channel blocking compound | Descriptor: | BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-04-07 | Release date: | 2014-06-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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4PA9
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![BU of 4pa9 by Molmil](/molmil-images/mine/4pa9) | Structure of NavMS in complex with channel blocking compound | Descriptor: | BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-04-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZO1
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![BU of 3zo1 by Molmil](/molmil-images/mine/3zo1) | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | Descriptor: | 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
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3ZO3
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![BU of 3zo3 by Molmil](/molmil-images/mine/3zo3) | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | Descriptor: | 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
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3ZO2
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![BU of 3zo2 by Molmil](/molmil-images/mine/3zo2) | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
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8Q71
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![BU of 8q71 by Molmil](/molmil-images/mine/8q71) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67 | Descriptor: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P. | Deposit date: | 2023-08-15 | Release date: | 2023-12-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.322 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability. J.Med.Chem., 66, 2023
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3BEO
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![BU of 3beo by Molmil](/molmil-images/mine/3beo) | A Structural Basis for the allosteric regulation of non-hydrolyzing UDP-GlcNAc 2-epimerases | Descriptor: | UDP-N-acetylglucosamine 2-epimerase, URIDINE-5'-DIPHOSPHATE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Velloso, L.M, Bhaskaran, S.S, Schuch, R, Fischetti, V.A, Stebbins, C.E. | Deposit date: | 2007-11-19 | Release date: | 2008-02-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A structural basis for the allosteric regulation of non-hydrolysing UDP-GlcNAc 2-epimerases. Embo Rep., 9, 2008
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3B9J
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![BU of 3b9j by Molmil](/molmil-images/mine/3b9j) | Structure of Xanthine Oxidase with 2-hydroxy-6-methylpurine | Descriptor: | 6-methyl-3,9-dihydro-2H-purin-2-one, CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, ... | Authors: | Pauff, J.M, Zhang, J, Bell, C.E, Hille, R. | Deposit date: | 2007-11-05 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Substrate orientation in xanthine oxidase: crystal structure of enzyme in reaction with 2-hydroxy-6-methylpurine. J.Biol.Chem., 283, 2008
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4PA7
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![BU of 4pa7 by Molmil](/molmil-images/mine/4pa7) | Structure of NavMS pore and C-terminal domain crystallised in presence of channel blocking compound | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-04-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZET
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![BU of 3zet by Molmil](/molmil-images/mine/3zet) | Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer. | Descriptor: | ADENOSINE MONOPHOSPHATE, CADMIUM ION, PROBABLE TRNA THREONYLCARBAMOYLADENOSINE BIOSYNTHESIS PROTEIN GCP, ... | Authors: | Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2012-12-07 | Release date: | 2013-03-20 | Last modified: | 2013-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structure of the Dimer of Two Essential Salmonella Typhimurium Proteins, Ygjd & Yeaz and Calorimetric Evidence for the Formation of a Ternary Ygjd-Yeaz-Yjee Complex. Protein Sci., 22, 2013
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3ZPK
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![BU of 3zpk by Molmil](/molmil-images/mine/3zpk) | Atomic-resolution structure of a quadruplet cross-beta amyloid fibril. | Descriptor: | TRANSTHYRETIN | Authors: | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S.A, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | Deposit date: | 2013-02-28 | Release date: | 2013-12-04 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY, SOLID-STATE NMR | Cite: | Atomic Structure and Hierarchical Assembly of a Cross-Beta Amyloid Fibril. Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZO4
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![BU of 3zo4 by Molmil](/molmil-images/mine/3zo4) | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(4-PHENYL-1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
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3C9D
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![BU of 3c9d by Molmil](/molmil-images/mine/3c9d) | Crystal structure of Vps75 | Descriptor: | Vacuolar protein sorting-associated protein 75 | Authors: | Berndsen, C.E, Tsubota, T, Lindner, S.E, Lee, S, Holton, J.M, Kaufman, P.D, Keck, J.L, Denu, J.M. | Deposit date: | 2008-02-15 | Release date: | 2008-08-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular functions of the histone acetyltransferase chaperone complex Rtt109-Vps75 Nat.Struct.Mol.Biol., 15, 2008
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2Z2H
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![BU of 2z2h by Molmil](/molmil-images/mine/2z2h) | NMR Structure of the IQ-modified Dodecamer CTCG[IQ]GCGCCATC | Descriptor: | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE, DNA (5'-D(*DCP*DTP*DCP*DGP*DGP*DCP*DGP*DCP*DCP*DAP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DTP*DGP*DGP*DCP*DGP*DCP*DCP*DGP*DAP*DG)-3') | Authors: | Wang, F, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P. | Deposit date: | 2007-05-22 | Release date: | 2007-10-02 | Last modified: | 2023-11-29 | Method: | SOLUTION NMR | Cite: | DNA sequence modulates the conformation of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme Biochemistry, 46, 2007
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3ZEU
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![BU of 3zeu by Molmil](/molmil-images/mine/3zeu) | Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer bound to ATPgammaS | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2012-12-07 | Release date: | 2013-03-20 | Last modified: | 2017-03-29 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Crystal Structure of the Dimer of Two Essential Salmonella Typhimurium Proteins, Ygjd & Yeaz and Calorimetric Evidence for the Formation of a Ternary Ygjd-Yeaz-Yjee Complex. Protein Sci., 22, 2013
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3ZJX
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![BU of 3zjx by Molmil](/molmil-images/mine/3zjx) | Clostridium perfringens epsilon toxin mutant H149A bound to octyl glucoside | Descriptor: | EPSILON-TOXIN, PHOSPHATE ION, octyl beta-D-glucopyranoside | Authors: | Bokori-Brown, M, Kokkinidou, M.C, Savva, C.G, Fernandes da Costa, S.P, Naylor, C.E, Cole, A.R, Basak, A.K, Titball, R.W. | Deposit date: | 2013-01-20 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Clostridium Perfringens Epsilon Toxin H149A Mutant as a Platform for Receptor Binding Studies. Protein Sci., 22, 2013
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4ACV
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![BU of 4acv by Molmil](/molmil-images/mine/4acv) | |