5LMZ
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![BU of 5lmz by Molmil](/molmil-images/mine/5lmz) | Fluorinase from Streptomyces sp. MA37 | Descriptor: | 1-DEAZA-ADENOSINE, CHLORIDE ION, Fluorinase, ... | Authors: | Mann, G, O'Hagan, D, Naismith, J.H, Bandaranayaka, N. | Deposit date: | 2016-08-02 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Identification of fluorinases from Streptomyces sp MA37, Norcardia brasiliensis, and Actinoplanes sp N902-109 by genome mining. Chembiochem, 15, 2014
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6GI2
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6GI1
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![BU of 6gi1 by Molmil](/molmil-images/mine/6gi1) | Crystal structure of the ferric enterobactin esterase (pfeE) mutant(S157A) from Pseudomonas aeruginosa in presence of enterobactin | Descriptor: | 1,2-ETHANEDIOL, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, FE (III) ION, ... | Authors: | Moynie, L, Naismith, J.H. | Deposit date: | 2018-05-09 | Release date: | 2018-06-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa. ACS Chem. Biol., 13, 2018
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3LCC
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6GI5
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![BU of 6gi5 by Molmil](/molmil-images/mine/6gi5) | Crystal structure of the ferric enterobactin esterase (PfeE) from Pseudomonas aeruginosa in complex with the tris-catechol vector | Descriptor: | FE (III) ION, Ferric enterobactin esterase, ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide | Authors: | Moynie, L, Naismith, J.H. | Deposit date: | 2018-05-09 | Release date: | 2018-06-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa. ACS Chem. Biol., 13, 2018
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6GI0
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4AKS
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![BU of 4aks by Molmil](/molmil-images/mine/4aks) | PatG macrocyclase domain | Descriptor: | THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | Deposit date: | 2012-02-28 | Release date: | 2012-07-18 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain. Nat.Struct.Mol.Biol., 19, 2012
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4AKT
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![BU of 4akt by Molmil](/molmil-images/mine/4akt) | PatG macrocyclase in complex with peptide | Descriptor: | SUBSTRATE ANALOGUE, THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | Deposit date: | 2012-02-28 | Release date: | 2012-07-18 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain. Nat.Struct.Mol.Biol., 19, 2012
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3LYF
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4V1U
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4V1V
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![BU of 4v1v by Molmil](/molmil-images/mine/4v1v) | Heterocyclase in complex with substrate and Cofactor | Descriptor: | LYND, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Koehnke, J, Naismith, J.H. | Deposit date: | 2014-10-02 | Release date: | 2015-01-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing. Nat.Chem.Biol., 11, 2015
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4V1T
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3ZXX
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![BU of 3zxx by Molmil](/molmil-images/mine/3zxx) | Structure of self-cleaved protease domain of PatA | Descriptor: | SUBTILISIN-LIKE PROTEIN | Authors: | Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H. | Deposit date: | 2011-08-16 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides. Chembiochem, 13, 2012
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3ZXY
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![BU of 3zxy by Molmil](/molmil-images/mine/3zxy) | Structure of S218A mutant of the protease domain of PatA | Descriptor: | SUBTILISIN-LIKE PROTEIN | Authors: | Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H. | Deposit date: | 2011-08-16 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides. Chembiochem, 13, 2012
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5LQ4
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![BU of 5lq4 by Molmil](/molmil-images/mine/5lq4) | The Structure of ThcOx, the First Oxidase Protein from the Cyanobactin Pathways | Descriptor: | CyaGox, FLAVIN MONONUCLEOTIDE | Authors: | Bent, A.F, Wagner, A, Naismith, J.H. | Deposit date: | 2016-08-16 | Release date: | 2016-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of the cyanobactin oxidase ThcOx from Cyanothece sp. PCC 7425, the first structure to be solved at Diamond Light Source beamline I23 by means of S-SAD. Acta Crystallogr D Struct Biol, 72, 2016
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4UVQ
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![BU of 4uvq by Molmil](/molmil-images/mine/4uvq) | PatG Domain of Unknown Function | Descriptor: | THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE, ZINC ION | Authors: | Mann, G, Koehnke, J, Bent, A.F, Graham, R, Schwarz-Linek, U, Naismith, J.H. | Deposit date: | 2014-08-07 | Release date: | 2014-09-17 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.724 Å) | Cite: | The Structure of the Cyanobactin Domain of Unknown Function from Patg in the Patellamide Gene Cluster Acta Crystallogr.,Sect.F, 70, 2014
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6NEV
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![BU of 6nev by Molmil](/molmil-images/mine/6nev) | FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant | Descriptor: | CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | Deposit date: | 2018-12-18 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization. Acs Catalysis, 9, 2019
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4BG2
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![BU of 4bg2 by Molmil](/molmil-images/mine/4bg2) | X-ray Crystal Structure of PatF from Prochloron didemni | Descriptor: | PATF | Authors: | Bent, A.F, Koehnke, J, Houssen, W.E, Smith, M.C.M, Jaspars, M, Naismith, J.H. | Deposit date: | 2013-03-22 | Release date: | 2013-04-03 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure of Patf from Prochloron Didemni. Acta Crystallogr.,Sect.F, 69, 2013
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4BS9
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![BU of 4bs9 by Molmil](/molmil-images/mine/4bs9) | Structure of the heterocyclase TruD | Descriptor: | TRUD, ZINC ION | Authors: | Koehnke, J, Bent, A.F, Zollman, D, Smith, K, Houssen, W.E, Zhu, X, Mann, G, Lebl, T, Scharff, R, Shirran, S, Botting, C.H, Jaspars, M, Schwarz-Linek, U, Naismith, J.H. | Deposit date: | 2013-06-09 | Release date: | 2013-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Cyanobactin Heterocyclase Enzyme: A Processive Adenylase that Operates with a Defined Order of Reaction. Angew.Chem.Int.Ed.Engl., 52, 2013
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7LO1
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4V9E
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6GQP
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![BU of 6gqp by Molmil](/molmil-images/mine/6gqp) | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | Authors: | Hardy, C.J, Schimpl, M, 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 (2.09 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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6GQL
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![BU of 6gql by Molmil](/molmil-images/mine/6gql) | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-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 (2.01 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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6GQQ
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![BU of 6gqq by Molmil](/molmil-images/mine/6gqq) | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-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: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 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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6GEW
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![BU of 6gew by Molmil](/molmil-images/mine/6gew) | OphA Y63F-sinefungin complex | Descriptor: | OphA, S-ADENOSYL-L-HOMOCYSTEINE, SINEFUNGIN | Authors: | Song, H, Naismith, J.H. | Deposit date: | 2018-04-27 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds. Sci Adv, 4, 2018
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