5EWP
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![BU of 5ewp by Molmil](/molmil-images/mine/5ewp) | ARO (armadillo repeats only protein) from Plasmodium falciparum | Descriptor: | ARO (armadillo repeats only protein) | Authors: | Brown, C, Zhang, K, Emery, J, Prusty, D, Wetzel, J, Heincke, D, Gilberger, T, Junop, M. | Deposit date: | 2015-11-20 | Release date: | 2016-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | ARO (armadillo repeats only protein) from Plasmodium falciparum To Be Published
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7BJV
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![BU of 7bjv by Molmil](/molmil-images/mine/7bjv) | Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI09181 | Descriptor: | DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ... | Authors: | Browning, C, McEwen, A.G, Billas, I.M.L. | Deposit date: | 2021-01-14 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Nonsteroidal ecdysone receptor agonists use a water channel for binding to the ecdysone receptor complex EcR/USP. J Pestic Sci, 46, 2021
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7BJU
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![BU of 7bju by Molmil](/molmil-images/mine/7bju) | Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI08346 | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Ecdysone Receptor, ... | Authors: | Browning, C, McEwen, A.G, Billas, I.M.L. | Deposit date: | 2021-01-14 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Nonsteroidal ecdysone receptor agonists use a water channel for binding to the ecdysone receptor complex EcR/USP. J Pestic Sci, 46, 2021
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4RU3
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![BU of 4ru3 by Molmil](/molmil-images/mine/4ru3) | |
3PQI
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![BU of 3pqi by Molmil](/molmil-images/mine/3pqi) | |
3PQH
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![BU of 3pqh by Molmil](/molmil-images/mine/3pqh) | |
3QR7
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![BU of 3qr7 by Molmil](/molmil-images/mine/3qr7) | Crystal structure of the C-terminal fragment of the bacteriophage P2 membrane-piercing protein gpV | Descriptor: | Baseplate assembly protein V, CALCIUM ION, CHLORIDE ION, ... | Authors: | Browning, C, Shneider, M, Leiman, P.G. | Deposit date: | 2011-02-17 | Release date: | 2012-02-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Phage pierces the host cell membrane with the iron-loaded spike. Structure, 20, 2012
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3QR8
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![BU of 3qr8 by Molmil](/molmil-images/mine/3qr8) | |
6BDG
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![BU of 6bdg by Molmil](/molmil-images/mine/6bdg) | HFQ monomer in spacegroup p6 at 1.93 angstrom resolution | Descriptor: | RNA-binding protein Hfq | Authors: | Brown, C, Zhang, K, Seo, C, Ellis, M.J, Hanniford, D.B, Junop, M. | Deposit date: | 2017-10-23 | Release date: | 2017-11-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.964 Å) | Cite: | HFQ monomer in spacegroup p6 at 1.93 angstrom resolution To Be Published
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6BD0
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![BU of 6bd0 by Molmil](/molmil-images/mine/6bd0) | I-OnuI K227Y, D236A bound to cognate substrate (pre-cleavage complex) | Descriptor: | CALCIUM ION, DNA (25-MER), Ribosomal protein 3/homing endonuclease-like protein fusion | Authors: | Brown, C, Zhang, K, Laforet, M, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | Deposit date: | 2017-10-20 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | I-OnuI K227Y, D236A bound to cognate substrate (pre-cleavage complex) To Be Published
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6BDB
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![BU of 6bdb by Molmil](/molmil-images/mine/6bdb) | I-OnuI K227Y, D236A bound to A3G substrate (pre-cleavage complex) | Descriptor: | DNA (26-MER), Ribosomal protein 3/homing endonuclease-like protein fusion | Authors: | Brown, C, Zhang, K, McMurrough, T.A, Laforet, M, Gloor, G.B, Edgell, D.R, Junop, M. | Deposit date: | 2017-10-22 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | I-OnuI K227Y, D236A bound to A3G substrate (pre-cleavage complex) To Be Published
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6BCH
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![BU of 6bch by Molmil](/molmil-images/mine/6bch) | I-LtrI E29D bound to cognate substrate (nicked complex) | Descriptor: | DNA (26-MER), DNA (5'-D(*GP*GP*TP*CP*TP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*GP*GP*AP*GP*CP*AP*TP*TP*T)-3'), ... | Authors: | Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M. | Deposit date: | 2017-10-20 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | I-LtrI E29D bound to cognate substrate (nicked complex) To Be Published
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6BDA
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![BU of 6bda by Molmil](/molmil-images/mine/6bda) | Wild-type I-OnuI bound to A3G substrate (post-cleavage complex) | Descriptor: | Cleaved Cognate DNA strand, +11 sense, Cleaved cognate DNA strand, ... | Authors: | Brown, C, Zhang, K, Laforet, M, McMurrough, T, Gloor, G.B, Edgell, D.R, Junop, M. | Deposit date: | 2017-10-22 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Wild-type I-OnuI bound to A3G substrate (post-cleavage complex) To Be Published
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6E0V
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![BU of 6e0v by Molmil](/molmil-images/mine/6e0v) | Apo crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 | Descriptor: | 1,2-ETHANEDIOL, Bacteriophage Phi92 gp150, CHLORIDE ION, ... | Authors: | Leiman, P.G, Browning, C, Gerardy-Schahn, R, Shneider, M.M, Plattner, M, Schwarzer, D. | Deposit date: | 2018-07-07 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed with one repeating unit of colanic acid To Be Published
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6E0W
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![BU of 6e0w by Molmil](/molmil-images/mine/6e0w) | Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed with one repeating unit of colanic acid | Descriptor: | 1,2-ETHANEDIOL, 1,5-anhydro-4,6-O-[(1R)-1-carboxyethylidene]-D-galactitol, Bacteriophage Phi92 gp150, ... | Authors: | Plattner, M, Browning, C, Gerardy-Schahn, R, Shneider, M.M, Leiman, P.G, Schwarzer, D. | Deposit date: | 2018-07-07 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed with one repeating unit of colanic acid To Be Published
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2MPK
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![BU of 2mpk by Molmil](/molmil-images/mine/2mpk) | |
4RU4
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![BU of 4ru4 by Molmil](/molmil-images/mine/4ru4) | Crystal structure of the tailspike protein gp49 from Pseudomonas phage LKA1 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | Authors: | Browning, C, Shneider, M.M, Leiman, P.G. | Deposit date: | 2014-11-18 | Release date: | 2015-11-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | The O-specific polysaccharide lyase from the phage LKA1 tailspike reduces Pseudomonas virulence. Sci Rep, 7, 2017
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4RU5
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![BU of 4ru5 by Molmil](/molmil-images/mine/4ru5) | Crystal Structure of the Pseudomonas phage phi297 tailspike gp61 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Browning, C, Sycheva, L.V, Shneider, M.M, Leiman, P.G. | Deposit date: | 2014-11-18 | Release date: | 2015-11-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The O-specific polysaccharide lyase from the phage LKA1 tailspike reduces Pseudomonas virulence. Sci Rep, 7, 2017
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2R40
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![BU of 2r40 by Molmil](/molmil-images/mine/2r40) | Crystal structure of 20E bound EcR/USP | Descriptor: | (2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one, CITRATE ANION, Ecdysone Receptor, ... | Authors: | Moras, D, Billas, I.M.L, Browning, C. | Deposit date: | 2007-08-30 | Release date: | 2007-10-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Critical Role of Desolvation in the Binding of 20-Hydroxyecdysone to the Ecdysone Receptor J.Biol.Chem., 282, 2007
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7RUD
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![BU of 7rud by Molmil](/molmil-images/mine/7rud) | DAHP synthase complex with trifluoropyruvate oxime | Descriptor: | (2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive | Authors: | Heimhalt, M, Mukherjee, P, Grainger, R, Szabla, R, Brown, C, Turner, R, Junop, M.S, Berti, P.J. | Deposit date: | 2021-08-16 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition. Acs Infect Dis., 7, 2021
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7RUE
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![BU of 7rue by Molmil](/molmil-images/mine/7rue) | DAHP synthase complexed with trifluoropyruvate semicarbazone | Descriptor: | (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid, MANGANESE (II) ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, ... | Authors: | Heimhalt, M, Mukherjee, P, Grainger, R, Szabla, R, Brown, C, Turner, R, Junop, M.S, Berti, P.J. | Deposit date: | 2021-08-16 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition. Acs Infect Dis., 7, 2021
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8V4J
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![BU of 8v4j by Molmil](/molmil-images/mine/8v4j) | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233 | Descriptor: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol, CHLORIDE ION, Phosphoheptose isomerase, ... | Authors: | Junop, M.S, Brown, C, Szabla, R. | Deposit date: | 2023-11-29 | Release date: | 2023-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria. J.Med.Chem., 67, 2024
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8V2T
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![BU of 8v2t by Molmil](/molmil-images/mine/8v2t) | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148591 | Descriptor: | 1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol, CHLORIDE ION, Phosphoheptose isomerase, ... | Authors: | Junop, M.S, Brown, C, Szabla, R. | Deposit date: | 2023-11-23 | Release date: | 2023-12-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria. J.Med.Chem., 67, 2024
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6GQJ
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![BU of 6gqj by Molmil](/molmil-images/mine/6gqj) | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18) | Descriptor: | 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Mast/stem cell growth factor receptor Kit | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQM
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![BU of 6gqm by Molmil](/molmil-images/mine/6gqm) | Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229 | Descriptor: | CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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