4WEY
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![BU of 4wey by Molmil](/molmil-images/mine/4wey) | Crystal structure of E.Coli DsbA in complex with compound 17 | Descriptor: | 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine, Thiol:disulfide interchange protein | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | Deposit date: | 2014-09-11 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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4WF5
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![BU of 4wf5 by Molmil](/molmil-images/mine/4wf5) | Crystal structure of E.Coli DsbA soaked with compound 4 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, ... | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | Deposit date: | 2014-09-12 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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4WF4
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![BU of 4wf4 by Molmil](/molmil-images/mine/4wf4) | Crystal structure of E.Coli DsbA co-crystallised in complex with compound 4 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, Thiol:disulfide interchange protein | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | Deposit date: | 2014-09-12 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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7SWX
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![BU of 7swx by Molmil](/molmil-images/mine/7swx) | |
7MKM
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![BU of 7mkm by Molmil](/molmil-images/mine/7mkm) | |
7MKL
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![BU of 7mkl by Molmil](/molmil-images/mine/7mkl) | |
7SWW
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![BU of 7sww by Molmil](/molmil-images/mine/7sww) | |
8UFB
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![BU of 8ufb by Molmil](/molmil-images/mine/8ufb) | |
8UFC
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![BU of 8ufc by Molmil](/molmil-images/mine/8ufc) | |
8UFA
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![BU of 8ufa by Molmil](/molmil-images/mine/8ufa) | |
8DWW
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![BU of 8dww by Molmil](/molmil-images/mine/8dww) | |
8DWX
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![BU of 8dwx by Molmil](/molmil-images/mine/8dwx) | |
8DWY
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![BU of 8dwy by Molmil](/molmil-images/mine/8dwy) | |
6Z1I
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![BU of 6z1i by Molmil](/molmil-images/mine/6z1i) | |
6Z1O
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![BU of 6z1o by Molmil](/molmil-images/mine/6z1o) | |
8CQV
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![BU of 8cqv by Molmil](/molmil-images/mine/8cqv) | Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_3392) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | Deposit date: | 2023-03-07 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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8CQU
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![BU of 8cqu by Molmil](/molmil-images/mine/8cqu) | Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_1680) | Descriptor: | CITRIC ACID, Putative NADH dehydrogenase/NAD(P)H nitroreductase, TERTIARY-BUTYL ALCOHOL | Authors: | Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | Deposit date: | 2023-03-07 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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8CQT
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![BU of 8cqt by Molmil](/molmil-images/mine/8cqt) | Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_1316) | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Putative NADH dehydrogenase/NAD(P)H nitroreductase | Authors: | Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | Deposit date: | 2023-03-07 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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4CJM
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![BU of 4cjm by Molmil](/molmil-images/mine/4cjm) | Crystal structure of human FGF18 | Descriptor: | FIBROBLAST GROWTH FACTOR 18, SULFATE ION | Authors: | Brown, A, Adam, L.E, Blundell, T.L. | Deposit date: | 2013-12-21 | Release date: | 2014-04-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Crystal Structure of Fibroblast Growth Factor 18 (Fgf18) Protein Cell, 5, 2014
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4ALW
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![BU of 4alw by Molmil](/molmil-images/mine/4alw) | Benzofuropyrimidinone Inhibitors of Pim-1 | Descriptor: | 8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, IMIDAZOLE, PIM-1 KINASE | Authors: | Stout, T.J, Adams, L. | Deposit date: | 2012-03-05 | Release date: | 2013-01-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4ALU
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![BU of 4alu by Molmil](/molmil-images/mine/4alu) | Benzofuropyrimidinone Inhibitors of Pim-1 | Descriptor: | 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Stout, T.J, Adams, L. | Deposit date: | 2012-03-05 | Release date: | 2013-01-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4ALV
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![BU of 4alv by Molmil](/molmil-images/mine/4alv) | Benzofuropyrimidinone Inhibitors of Pim-1 | Descriptor: | 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Stout, T.J, Adams, L. | Deposit date: | 2012-03-05 | Release date: | 2013-01-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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6IC3
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![BU of 6ic3 by Molmil](/molmil-images/mine/6ic3) | AL amyloid fibril from a lambda 1 light chain | Descriptor: | lambda 1 light chain fragment, residues 3-118 | Authors: | Fritz, G, Faendrich, M, Schmidt, M, Radamaker, L. | Deposit date: | 2018-12-02 | Release date: | 2019-04-03 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of a light chain-derived amyloid fibril from a patient with systemic AL amyloidosis. Nat Commun, 10, 2019
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8V4N
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![BU of 8v4n by Molmil](/molmil-images/mine/8v4n) | Myxococcus xanthus EncA 3xHis pore mutant with T=1 icosahedral symmetry | Descriptor: | Type 1 encapsulin shell protein EncA | Authors: | Szyszka, T.N, Andreas, M.P, Lie, F, Miller, L.M, Adamson, L.S.R, Fatehi, F, Twarock, R, Draper, B.E, Jarrold, M.F, Giessen, T.W, Lau, Y.H. | Deposit date: | 2023-11-29 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Point mutation in a virus-like capsid drives symmetry reduction to form tetrahedral cages. Proc.Natl.Acad.Sci.USA, 121, 2024
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8V4Q
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![BU of 8v4q by Molmil](/molmil-images/mine/8v4q) | Myxococcus xanthus EncA 3xHis pore mutant with tetrahedral symmetry | Descriptor: | Type 1 encapsulin shell protein EncA | Authors: | Szyszka, T.N, Andreas, M.P, Lie, F, Miller, L.M, Adamson, L.S.R, Fatehi, F, Twarock, R, Draper, B.E, Jarrold, M.F, Giessen, T.W, Lau, Y.H. | Deposit date: | 2023-11-29 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Point mutation in a virus-like capsid drives symmetry reduction to form tetrahedral cages. Proc.Natl.Acad.Sci.USA, 121, 2024
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