6SIY
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![BU of 6siy by Molmil](/molmil-images/mine/6siy) | PaaK family AMP-ligase with AMP and substrate | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYANTHRANILIC ACID, ADENOSINE MONOPHOSPHATE, ... | Authors: | Naismith, J.H, Song, H. | Deposit date: | 2019-08-12 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility. Angew.Chem.Int.Ed.Engl., 59, 2020
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6TM4
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![BU of 6tm4 by Molmil](/molmil-images/mine/6tm4) | NatL2 in complex with two molecules of salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Naismith, J.H, Song, H. | Deposit date: | 2019-12-03 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility. Angew.Chem.Int.Ed.Engl., 59, 2020
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4IP8
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![BU of 4ip8 by Molmil](/molmil-images/mine/4ip8) | Structure of human serum amyloid A1 | Descriptor: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, SULFATE ION, Serum amyloid A-1 protein | Authors: | Lu, J, Sun, P.D. | Deposit date: | 2013-01-09 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.193 Å) | Cite: | Structural mechanism of serum amyloid A-mediated inflammatory amyloidosis. Proc.Natl.Acad.Sci.USA, 111, 2014
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4IP9
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![BU of 4ip9 by Molmil](/molmil-images/mine/4ip9) | Structure of native human serum amyloid A1 | Descriptor: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Serum amyloid A-1 protein | Authors: | Lu, J, Sun, P.D. | Deposit date: | 2013-01-09 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural mechanism of serum amyloid A-mediated inflammatory amyloidosis. Proc.Natl.Acad.Sci.USA, 111, 2014
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6J8R
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![BU of 6j8r by Molmil](/molmil-images/mine/6j8r) | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01 | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-01-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.575 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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3HC8
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![BU of 3hc8 by Molmil](/molmil-images/mine/3hc8) | Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System. | Descriptor: | 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Hughes, R.O, Stallings, W.C, Cubbage, J.W, Williams, J.M. | Deposit date: | 2009-05-05 | Release date: | 2009-07-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system. Bioorg.Med.Chem.Lett., 19, 2009
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6J8Q
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![BU of 6j8q by Molmil](/molmil-images/mine/6j8q) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-01-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.787 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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3HDB
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![BU of 3hdb by Molmil](/molmil-images/mine/3hdb) | Crystal structure of AaHIV, A metalloproteinase from venom of Agkistrodon Acutus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AAHIV, CALCIUM ION, ... | Authors: | Zhu, Z.Q, Niu, L.W, Teng, M.K. | Deposit date: | 2009-05-07 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural basis of the autolysis of AaHIV suggests a novel target recognizing model for ADAM/reprolysin family proteins Biochem.Biophys.Res.Commun., 386, 2009
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5Y6D
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![BU of 5y6d by Molmil](/molmil-images/mine/5y6d) | |
5Y6E
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![BU of 5y6e by Molmil](/molmil-images/mine/5y6e) | |
6JN4
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![BU of 6jn4 by Molmil](/molmil-images/mine/6jn4) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | Descriptor: | ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN5
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![BU of 6jn5 by Molmil](/molmil-images/mine/6jn5) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 | Descriptor: | Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN3
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![BU of 6jn3 by Molmil](/molmil-images/mine/6jn3) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05 | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.216 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN6
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![BU of 6jn6 by Molmil](/molmil-images/mine/6jn6) | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19 | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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7KBH
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![BU of 7kbh by Molmil](/molmil-images/mine/7kbh) | |
7KBG
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![BU of 7kbg by Molmil](/molmil-images/mine/7kbg) | |
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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8I2C
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![BU of 8i2c by Molmil](/molmil-images/mine/8i2c) | |
8I2M
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![BU of 8i2m by Molmil](/molmil-images/mine/8i2m) | |
8I1Z
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![BU of 8i1z by Molmil](/molmil-images/mine/8i1z) | E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment | Descriptor: | 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone, SULFATE ION, TRYPTOPHANYL-5'AMP, ... | Authors: | Xiang, M, Zhou, H. | Deposit date: | 2023-01-13 | Release date: | 2023-04-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
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8I27
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![BU of 8i27 by Molmil](/molmil-images/mine/8i27) | |
8I2A
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![BU of 8i2a by Molmil](/molmil-images/mine/8i2a) | |
8I4I
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![BU of 8i4i by Molmil](/molmil-images/mine/8i4i) | |
8I2J
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![BU of 8i2j by Molmil](/molmil-images/mine/8i2j) | |
8I1W
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![BU of 8i1w by Molmil](/molmil-images/mine/8i1w) | |