1HBJ
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![BU of 1hbj by Molmil](/molmil-images/mine/1hbj) | X-ray Crystal structure of complex between Torpedo californica AChE and a reversible inhibitor, 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline | Descriptor: | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Greenblatt, H.M, Kryger, G, Lewis, T.L, Doucet, C, Viner, R, Silman, I, Sussman, J.L. | Deposit date: | 2001-04-16 | Release date: | 2001-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Structure-Based Design Approach to the Development of Novel, Reversible Ache Inhibitors J.Med.Chem., 44, 2001
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4QNJ
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![BU of 4qnj by Molmil](/molmil-images/mine/4qnj) | The structure of wt A. thaliana IGPD2 in complex with Mn2+ and formate at 1.3A resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ... | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2014-06-18 | Release date: | 2015-06-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination. Structure, 23, 2015
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4QNK
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![BU of 4qnk by Molmil](/molmil-images/mine/4qnk) | The structure of wt A. thaliana IGPD2 in complex with Mn2+ and phosphate | Descriptor: | 1,2-ETHANEDIOL, Imidazoleglycerol-phosphate dehydratase 2, chloroplastic, ... | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2014-06-18 | Release date: | 2015-06-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination. Structure, 23, 2015
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3CWB
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![BU of 3cwb by Molmil](/molmil-images/mine/3cwb) | Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ... | Authors: | Huang, L, Cromartie, T, Viner, R, Crowley, P.J, Berry, E.A. | Deposit date: | 2008-04-21 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D. Bioorg.Med.Chem., 16, 2008
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1D7O
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![BU of 1d7o by Molmil](/molmil-images/mine/1d7o) | CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN | Descriptor: | ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Roujeinikova, A, Levy, C, Rowsell, S, Sedelnikova, S, Baker, P.J, Minshull, C.A, Mistry, A, Colls, J.G, Camble, R, Stuitje, A.R, Slabas, A.R, Rafferty, J.B, Pauptit, R.A, Viner, R, Rice, D.W. | Deposit date: | 1999-10-19 | Release date: | 1999-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic analysis of triclosan bound to enoyl reductase. J.Mol.Biol., 294, 1999
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5EKW
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![BU of 5ekw by Molmil](/molmil-images/mine/5ekw) | A. thaliana IGPD2 in complex with the racemate of the triazole-phosphonate inhibitor, C348 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2015-11-04 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide. Angew.Chem.Int.Ed.Engl., 55, 2016
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5DNX
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![BU of 5dnx by Molmil](/molmil-images/mine/5dnx) | Crystal structure of IGPD from Pyrococcus furiosus in complex with (R)-C348 | Descriptor: | Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION, [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2015-09-10 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide. Angew.Chem.Int.Ed.Engl., 55, 2016
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5ELW
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![BU of 5elw by Molmil](/molmil-images/mine/5elw) | A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (R)-C348, to 1.36A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2015-11-05 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide. Angew.Chem.Int.Ed.Engl., 55, 2016
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5DNL
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![BU of 5dnl by Molmil](/molmil-images/mine/5dnl) | Crystal structure of IGPD from Pyrococcus furiosus in complex with (S)-C348 | Descriptor: | Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION, [(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2015-09-10 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide. Angew.Chem.Int.Ed.Engl., 55, 2016
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5EL9
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![BU of 5el9 by Molmil](/molmil-images/mine/5el9) | A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (S)-C348, to 1.1A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Imidazoleglycerol-phosphate dehydratase 2, ... | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | Deposit date: | 2015-11-04 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide. Angew.Chem.Int.Ed.Engl., 55, 2016
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