4O1M
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![BU of 4o1m by Molmil](/molmil-images/mine/4o1m) | Toxoplasma gondii Enoyl acyl carrier protein reductase | Descriptor: | Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Muench, S.P, Wilkinson, C, Prigge, S.T, Rice, D.W. | Deposit date: | 2013-12-16 | Release date: | 2014-02-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The benzimidazole based drugs show good activity against T. gondii but poor activity against its proposed enoyl reductase enzyme target Bioorg.Med.Chem.Lett., 24, 2014
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5LZR
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![BU of 5lzr by Molmil](/molmil-images/mine/5lzr) | Crystal structure of Thermotoga maritima sodium pumping membrane integral pyrophosphatase in complex with tungstate and magnesium | Descriptor: | K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, TUNGSTATE(VI)ION | Authors: | Wilkinson, C, Kellosalo, J, Kajander, T, Goldman, A. | Deposit date: | 2016-10-01 | Release date: | 2016-12-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism. Nat Commun, 7, 2016
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5LZQ
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![BU of 5lzq by Molmil](/molmil-images/mine/5lzq) | Crystal structure of Thermotoga maritima sodium pumping membrane integral pyrophosphatase in complex with imidodiphosphate and magnesium, and with bound sodium ion | Descriptor: | IMIDODIPHOSPHORIC ACID, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, ... | Authors: | Wilkinson, C, Kellosalo, J, Kajander, T, Goldman, A. | Deposit date: | 2016-10-01 | Release date: | 2016-12-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.495 Å) | Cite: | Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism. Nat Commun, 7, 2016
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1QNY
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![BU of 1qny by Molmil](/molmil-images/mine/1qny) | X-ray refinement of D2O soaked crystal of concanavalin A | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | Authors: | Habash, J, Raftery, J, Nuttall, R, Price, H.J, Lehmann, M.S, Wilkinson, C, Kalb(Gilboa), A.J, Helliwell, J.R. | Deposit date: | 1999-10-26 | Release date: | 2000-04-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct Determination of the Positions of Deuterium Atoms of Bound Water in Concanavalin a by Neutron Laue Crystallography Acta Crystallogr.,Sect.D, 56, 2000
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1LZN
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![BU of 1lzn by Molmil](/molmil-images/mine/1lzn) | NEUTRON STRUCTURE OF HEN EGG-WHITE LYSOZYME | Descriptor: | NITRATE ION, PROTEIN (LYSOZYME), SODIUM ION | Authors: | Bon, C.I, Lehmann, M.S, Wilkinson, C. | Deposit date: | 1999-03-23 | Release date: | 1999-04-01 | Last modified: | 2023-12-27 | Method: | NEUTRON DIFFRACTION (1.7 Å) | Cite: | Quasi-Laue neutron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme. Acta Crystallogr.,Sect.D, 55, 1999
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1IO5
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![BU of 1io5 by Molmil](/molmil-images/mine/1io5) | HYDROGEN AND HYDRATION OF HEN EGG-WHITE LYSOZYME DETERMINED BY NEUTRON DIFFRACTION | Descriptor: | LYSOZYME C | Authors: | Niimura, N, Minezaki, Y, Nonaka, T, Castagna, J.C, Cipriani, F, Hoeghoej, P, Lehmann, M.S, Wilkinson, C. | Deposit date: | 2001-01-14 | Release date: | 2001-02-07 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2 Å) | Cite: | Neutron Laue diffractometry with an imaging plate provides an effective data collection regime for neutron protein crystallography. Nat.Struct.Biol., 4, 1997
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1C57
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![BU of 1c57 by Molmil](/molmil-images/mine/1c57) | DIRECT DETERMINATION OF THE POSITIONS OF DEUTERIUM ATOMS OF BOUND WATER IN CONCANAVALIN A BY NEUTRON LAUE CRYSTALLOGRAPHY | Descriptor: | CALCIUM ION, Concanavalin-Br, MANGANESE (II) ION | Authors: | Habash, J, Raftery, J, Nuttall, R, Price, H.J, Lehmann, M.S, Wilkinson, C, Kalb, A.J, Helliwell, J.R. | Deposit date: | 1999-10-26 | Release date: | 2000-05-08 | Last modified: | 2023-12-27 | Method: | NEUTRON DIFFRACTION (2.4 Å) | Cite: | Direct determination of the positions of the deuterium atoms of the bound water in -concanavalin A by neutron Laue crystallography. Acta Crystallogr.,Sect.D, 56, 2000
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8B37
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![BU of 8b37 by Molmil](/molmil-images/mine/8b37) | Crystal structure of Pyrobaculum aerophilum potassium-independent proton pumping membrane integral pyrophosphatase in complex with imidodiphosphate and magnesium, and with bound sulphate | Descriptor: | IMIDODIPHOSPHORIC ACID, K(+)-insensitive pyrophosphate-energized proton pump, MAGNESIUM ION, ... | Authors: | Strauss, J, Wilkinson, C, Vidilaseris, K, Ribeiro, O, Liu, J, Hillier, J, Malinen, A, Gehl, B, Jeuken, L.C, Pearson, A.R, Goldman, A. | Deposit date: | 2022-09-16 | Release date: | 2024-01-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.84 Å) | Cite: | Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases. Embo Rep., 25, 2024
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5GPJ
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![BU of 5gpj by Molmil](/molmil-images/mine/5gpj) | Crystal Structure of Proton-Pumping Pyrophosphatase | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Pyrophosphate-energized vacuolar membrane proton pump | Authors: | Li, K.M, Tsai, J.Y, Sun, Y.J. | Deposit date: | 2016-08-03 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism Nat Commun, 7, 2016
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2JC1
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![BU of 2jc1 by Molmil](/molmil-images/mine/2jc1) | CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB698223 | Descriptor: | (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE | Authors: | Wonacott, A, Skarzynski, T, Singh, O.M. | Deposit date: | 2006-12-18 | Release date: | 2007-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate. J.Med.Chem., 50, 2007
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2JC0
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![BU of 2jc0 by Molmil](/molmil-images/mine/2jc0) | CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB655264 | Descriptor: | (2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE | Authors: | Wonacott, A, Skarzynski, T, Singh, O.M. | Deposit date: | 2006-12-18 | Release date: | 2007-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate. J.Med.Chem., 50, 2007
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8B24
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![BU of 8b24 by Molmil](/molmil-images/mine/8b24) | Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 3600-seconds post reaction initiation with Na+ | Descriptor: | DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, ... | Authors: | Strauss, J, Vidilaseris, K, Goldman, A. | Deposit date: | 2022-09-12 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (4.53 Å) | Cite: | Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases. Embo Rep., 25, 2024
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8B22
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![BU of 8b22 by Molmil](/molmil-images/mine/8b22) | |
8B23
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![BU of 8b23 by Molmil](/molmil-images/mine/8b23) | |
8B21
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![BU of 8b21 by Molmil](/molmil-images/mine/8b21) | Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 0-60-seconds post reaction initiation with Na+ | Descriptor: | DI(HYDROXYETHYL)ETHER, DODECYL-BETA-D-MALTOSIDE, K(+)-stimulated pyrophosphate-energized sodium pump, ... | Authors: | Strauss, J, Vidilaseris, K, Goldman, A. | Deposit date: | 2022-09-12 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases. Embo Rep., 25, 2024
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1NLS
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![BU of 1nls by Molmil](/molmil-images/mine/1nls) | CONCANAVALIN A AND ITS BOUND SOLVENT AT 0.94A RESOLUTION | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | Authors: | Deacon, A.M, Gleichmann, T, Helliwell, J.R, Kalb(Gilboa), A.J. | Deposit date: | 1997-01-28 | Release date: | 1997-11-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | The Structure of Concanavalin a and its Bound Solvent Determined with Small-Molecule Accuracy at 0.94 A Resolution J.Chem.Soc.,Faraday Trans., 93, 1997
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