4KY5
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![BU of 4ky5 by Molmil](/molmil-images/mine/4ky5) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D at pH 7 and cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Robinson, A.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-05-28 | Release date: | 2013-06-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D at pH 7 and cryogenic temperature To be Published
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4L1U
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![BU of 4l1u by Molmil](/molmil-images/mine/4l1u) | Crystal Structure of Human Rtf1 Plus3 Domain in Complex with Spt5 CTR Phosphopeptide | Descriptor: | GLYCEROL, RNA polymerase-associated protein RTF1 homolog, SULFATE ION, ... | Authors: | Wier, A.D, Heroux, A, VanDemark, A.P. | Deposit date: | 2013-06-03 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.424 Å) | Cite: | Structural basis for Spt5-mediated recruitment of the Paf1 complex to chromatin. Proc.Natl.Acad.Sci.USA, 110, 2013
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3HEJ
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![BU of 3hej by Molmil](/molmil-images/mine/3hej) | Crystal structure of Staphylococcal nuclease variant Delta+PHS T62R at cryogenic temperature | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ... | Authors: | Khangulov, V.S, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B. | Deposit date: | 2009-05-08 | Release date: | 2010-05-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Domain swapping promoted by a single mutation that introduces an ionizable group into the hydrophobic core of a protein To be Published
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3QOJ
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![BU of 3qoj by Molmil](/molmil-images/mine/3qoj) | Cryogenic structure of Staphylococcal nuclease variant D+PHS/V23K | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Robinson, A.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2011-02-10 | Release date: | 2011-03-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Determinants of pKa values of internal ionizable groups: properties of ion pairs in the protein core To be Published
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3QZ0
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![BU of 3qz0 by Molmil](/molmil-images/mine/3qz0) | Structure of Treponema denticola Factor H Binding protein (FhbB), selenomethionine derivative | Descriptor: | Factor H binding protein, GLYCEROL, THIOCYANATE ION | Authors: | Miller, D.P, McDowell, J.V, Heroux, A, Bell, J.K, Marconi, R.T, Conrad, D.H, Burgner, J.W. | Deposit date: | 2011-03-04 | Release date: | 2012-03-07 | Last modified: | 2012-06-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure of factor H-binding protein B (FhbB) of the periopathogen, Treponema denticola: insights into progression of periodontal disease. J.Biol.Chem., 287, 2012
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3S76
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![BU of 3s76 by Molmil](/molmil-images/mine/3s76) | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | Descriptor: | 1H-imidazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Snyder, P.W, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-26 | Release date: | 2011-10-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc.Natl.Acad.Sci.USA, 108, 2011
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3S73
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![BU of 3s73 by Molmil](/molmil-images/mine/3s73) | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Snyder, P.W, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-26 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc.Natl.Acad.Sci.USA, 108, 2011
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3RYJ
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![BU of 3ryj by Molmil](/molmil-images/mine/3ryj) | Carbonic Anhydrase complexed with 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide | Descriptor: | 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide, Carbonic anhydrase 2, ZINC ION | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.M. | Deposit date: | 2011-05-11 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
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3RX5
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![BU of 3rx5 by Molmil](/molmil-images/mine/3rx5) | structure of AaCel9A in complex with cellotriose-like isofagomine | Descriptor: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside, CALCIUM ION, Cellulase, ... | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A fortuitous binding of inhibitors-derived isofagomine for inverting GH9 beta-glycosidase Org.Biomol.Chem., 9, 2011
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3RZ5
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![BU of 3rz5 by Molmil](/molmil-images/mine/3rz5) | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-pentyl-4-sulfamoylbenzamide, ... | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-11 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
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3RYY
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![BU of 3ryy by Molmil](/molmil-images/mine/3ryy) | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | Descriptor: | Carbonic anhydrase 2, N-propyl-4-sulfamoylbenzamide, ZINC ION | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-11 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
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3RZ8
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![BU of 3rz8 by Molmil](/molmil-images/mine/3rz8) | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-hexyl-4-sulfamoylbenzamide, ... | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-11 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
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3S72
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![BU of 3s72 by Molmil](/molmil-images/mine/3s72) | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | Descriptor: | 1H-benzimidazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Snyder, P.W, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-26 | Release date: | 2011-10-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc.Natl.Acad.Sci.USA, 108, 2011
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3S78
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![BU of 3s78 by Molmil](/molmil-images/mine/3s78) | |
3RYX
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![BU of 3ryx by Molmil](/molmil-images/mine/3ryx) | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | Descriptor: | Carbonic anhydrase 2, N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide, ZINC ION | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-11 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
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3RYZ
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![BU of 3ryz by Molmil](/molmil-images/mine/3ryz) | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | Descriptor: | Carbonic anhydrase 2, N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide, ZINC ION | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-11 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
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3RZ7
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![BU of 3rz7 by Molmil](/molmil-images/mine/3rz7) | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | Descriptor: | 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide, Carbonic anhydrase 2, ZINC ION | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-11 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
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3S77
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![BU of 3s77 by Molmil](/molmil-images/mine/3s77) | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | Descriptor: | 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Snyder, P.W, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-26 | Release date: | 2011-10-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase. Proc.Natl.Acad.Sci.USA, 108, 2011
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3RYV
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![BU of 3ryv by Molmil](/molmil-images/mine/3ryv) | Carbonic Anhydrase complexed with N-ethyl-4-sulfamoylbenzamide | Descriptor: | Carbonic anhydrase 2, N-ethyl-4-sulfamoylbenzamide, ZINC ION | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-11 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
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3RZ1
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![BU of 3rz1 by Molmil](/molmil-images/mine/3rz1) | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide, ... | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-11 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
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3S74
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![BU of 3s74 by Molmil](/molmil-images/mine/3s74) | |
3S75
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![BU of 3s75 by Molmil](/molmil-images/mine/3s75) | |
3R15
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![BU of 3r15 by Molmil](/molmil-images/mine/3r15) | Structure Treponema Denticola Factor H Binding Protein | Descriptor: | Factor H binding protein, THIOCYANATE ION | Authors: | Miller, D.P, McDowell, J.V, Burgner, J, Heroux, A, Bell, J.K, Marconi, R.T. | Deposit date: | 2011-03-09 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Structure Treponema Denticola Factor H Binding Protein To be Published
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3RZ0
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![BU of 3rz0 by Molmil](/molmil-images/mine/3rz0) | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | Descriptor: | Carbonic anhydrase 2, N-butyl-4-sulfamoylbenzamide, ZINC ION | Authors: | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | Deposit date: | 2011-05-11 | Release date: | 2011-08-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
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3S71
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![BU of 3s71 by Molmil](/molmil-images/mine/3s71) | |