7PSY
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![BU of 7psy by Molmil](/molmil-images/mine/7psy) | X-ray crystal structure of perdeuterated LecB lectin in complex with perdeuterated fucose | Descriptor: | CALCIUM ION, Fucose-binding lectin, SULFATE ION, ... | Authors: | Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A. | Deposit date: | 2021-09-24 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding. Nat Commun, 13, 2022
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4PVL
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![BU of 4pvl by Molmil](/molmil-images/mine/4pvl) | X-ray structure of human transthyretin (TTR) at room temperature to 1.9A resolution | Descriptor: | Transthyretin | Authors: | Fisher, S.J, Blakeley, M.P, Haupt, M, Mason, S.A, Cooper, J.B, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2014-03-18 | Release date: | 2014-11-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Binding site asymmetry in human transthyretin: insights from a joint neutron and X-ray crystallographic analysis using perdeuterated protein IUCrJ, 1, 2014
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2UUF
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![BU of 2uuf by Molmil](/molmil-images/mine/2uuf) | Thrombin-hirugen binary complex at 1.26A resolution | Descriptor: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-02 | Release date: | 2007-09-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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4PVN
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![BU of 4pvn by Molmil](/molmil-images/mine/4pvn) | Neutron structure of human transthyretin (TTR) at room temperature to 2.3A resolution (monochromatic) | Descriptor: | Transthyretin | Authors: | Fisher, S.J, Blakeley, M.P, Haupt, M, Mason, S.A, Cooper, J.B, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2014-03-18 | Release date: | 2014-11-12 | Last modified: | 2024-03-20 | Method: | NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION | Cite: | Binding site asymmetry in human transthyretin: insights from a joint neutron and X-ray crystallographic analysis using perdeuterated protein IUCrJ, 1, 2014
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2UUJ
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![BU of 2uuj by Molmil](/molmil-images/mine/2uuj) | Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution | Descriptor: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-03 | Release date: | 2007-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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4QX5
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![BU of 4qx5 by Molmil](/molmil-images/mine/4qx5) | Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1 | Authors: | Huang, G.Y, Gerlits, O.O, Blakeley, M.P, Sankaran, B, Kovalevsky, A.Y, Kim, C. | Deposit date: | 2014-07-18 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.318 Å) | Cite: | Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design. Biochemistry, 53, 2014
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2WYX
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![BU of 2wyx by Molmil](/molmil-images/mine/2wyx) | Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant | Descriptor: | BETA-LACTAMSE TOHO-1 | Authors: | Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L. | Deposit date: | 2009-11-20 | Release date: | 2010-01-12 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (2.1 Å) | Cite: | Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant J.Mol.Biol., 396, 2010
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2UU8
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![BU of 2uu8 by Molmil](/molmil-images/mine/2uu8) | X-ray structure of Ni, Ca concanavalin A at Ultra-high resolution (0. 94A) | Descriptor: | CALCIUM ION, CONCANAVALIN, NICKEL (II) ION | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-01 | Release date: | 2007-07-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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2UUK
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![BU of 2uuk by Molmil](/molmil-images/mine/2uuk) | Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution | Descriptor: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-03 | Release date: | 2007-09-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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2XR0
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![BU of 2xr0 by Molmil](/molmil-images/mine/2xr0) | Room temperature X-ray structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase | Descriptor: | SULFATE ION, TOHO-1 BETA-LACTAMASE | Authors: | Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L. | Deposit date: | 2010-09-08 | Release date: | 2010-12-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation. FEBS Lett., 585, 2011
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2XQZ
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![BU of 2xqz by Molmil](/molmil-images/mine/2xqz) | Neutron structure of the perdeuterated Toho-1 R274N R276N double mutant beta-lactamase | Descriptor: | BETA-LACTAMSE TOHO-1 | Authors: | Tomanicek, S.J, Wang, K.K, Weiss, K.L, Blakeley, M.P, Cooper, J, Chen, Y, Coates, L. | Deposit date: | 2010-09-08 | Release date: | 2010-12-22 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (2.1 Å) | Cite: | The Active Site Protonation States of Perdeuterated Toho-1 Beta-Lactamase Determined by Neutron Diffraction Support a Role for Glu166 as the General Base in Acylation. FEBS Lett., 585, 2011
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5R42
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![BU of 5r42 by Molmil](/molmil-images/mine/5r42) | Crystal Structure of deuterated gamma-Chymotrypsin at pH 7.5, room temperature | Descriptor: | IODIDE ION, gamma-Chymotrypsin, peptide SWPW, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R49
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![BU of 5r49 by Molmil](/molmil-images/mine/5r49) | Crystal Structure of gamma-Chymotrypsin at pH 5.6, cryo temperature | Descriptor: | IODIDE ION, MALONATE ION, gamma-chymotrypsin, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R45
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![BU of 5r45 by Molmil](/molmil-images/mine/5r45) | Crystal Structure of gamma-Chymotrypsin at pH 7.5, cryo temperature | Descriptor: | Chymotrypsinogen A, IODIDE ION, MALONATE ION, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R4C
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![BU of 5r4c by Molmil](/molmil-images/mine/5r4c) | Crystal Structure of gamma-Chymotrypsin at pH 9, room temperature | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R48
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![BU of 5r48 by Molmil](/molmil-images/mine/5r48) | Crystal Structure of gamma-Chymotrypsin at pH 5.6, room temperature | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R4A
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![BU of 5r4a by Molmil](/molmil-images/mine/5r4a) | Crystal Structure of deuterated gamma-Chymotrypsin at pH 9, room temperature | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R44
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![BU of 5r44 by Molmil](/molmil-images/mine/5r44) | Crystal Structure of gamma-Chymotrypsin at pH 7.5, room temperature | Descriptor: | Chymotrypsinogen A, IODIDE ION, peptide SWPW, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R46
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![BU of 5r46 by Molmil](/molmil-images/mine/5r46) | Crystal Structure of deuterated gamma-Chymotrypsin at pH 5.6, room temperature | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R43
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![BU of 5r43 by Molmil](/molmil-images/mine/5r43) | Crystal Structure of deuterated gamma-Chymotrypsin at pH 7.5, cryo temperature | Descriptor: | Chymotrypsinogen A, IODIDE ION, MALONIC ACID, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R4B
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![BU of 5r4b by Molmil](/molmil-images/mine/5r4b) | Crystal Structure of deuterated gamma-Chymotrypsin at pH 9, cryo temperature | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R4D
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![BU of 5r4d by Molmil](/molmil-images/mine/5r4d) | Crystal Structure of gamma-Chymotrypsin at pH 9, cryo temperature | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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5R47
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![BU of 5r47 by Molmil](/molmil-images/mine/5r47) | Crystal Structure of deuterated gamma-Chymotrypsin at pH 5.6, cryo temperature | Descriptor: | IODIDE ION, MALONIC ACID, gamma-chymotrypsin, ... | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | Deposit date: | 2020-02-18 | Release date: | 2021-09-01 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study To be published
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7B7F
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![BU of 7b7f by Molmil](/molmil-images/mine/7b7f) | Room temperature X-ray structure of H/D-exchanged PLL lectin in complex with L-fucose | Descriptor: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | Deposit date: | 2020-12-10 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions. Structure, 29, 2021
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7B7E
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![BU of 7b7e by Molmil](/molmil-images/mine/7b7e) | Room temperature X-ray structure of perdeuterated PLL lectin | Descriptor: | PLL lectin | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | Deposit date: | 2020-12-10 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions. Structure, 29, 2021
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