3TED
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![BU of 3ted by Molmil](/molmil-images/mine/3ted) | Crystal structure of the Chd1 DNA-binding domain in complex with a DNA duplex | Descriptor: | 5'-D(*CP*CP*AP*TP*AP*TP*AP*TP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*AP*TP*AP*TP*AP*TP*GP*G)-3', Chromo domain-containing protein 1 | Authors: | Sharma, A, Jenkins, K.R, Heroux, A, Bowman, G.D. | Deposit date: | 2011-08-12 | Release date: | 2011-11-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DNA-binding domain of Chd1 in complex with a DNA duplex J.Biol.Chem., 2011
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4K5V
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![BU of 4k5v by Molmil](/molmil-images/mine/4k5v) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/L36A/V99T at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-04-15 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cavities in proteins To be Published
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4K2L
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![BU of 4k2l by Molmil](/molmil-images/mine/4k2l) | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92Q at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-04-09 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Cavity hydration in proteins To be Published
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4KPN
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![BU of 4kpn by Molmil](/molmil-images/mine/4kpn) | Plant nucleoside hydrolase - PpNRh1 enzyme | Descriptor: | CALCIUM ION, Nucleoside N-ribohydrolase 1 | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | Deposit date: | 2013-05-14 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Structure and Function of Nucleoside Hydrolases from Physcomitrella patens and Maize Catalyzing the Hydrolysis of Purine, Pyrimidine, and Cytokinin Ribosides. Plant Physiol., 163, 2013
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4N9P
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![BU of 4n9p by Molmil](/molmil-images/mine/4n9p) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/L25A/V99T at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-10-21 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cavities in proteins To be Published
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4N9T
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![BU of 4n9t by Molmil](/molmil-images/mine/4n9t) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A/I92S at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-10-21 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cavities in proteins To be Published
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4NP5
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![BU of 4np5 by Molmil](/molmil-images/mine/4np5) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A/I92N at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Nam, S, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-11-20 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Pressure effects in proteins To be Published
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4NKL
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![BU of 4nkl by Molmil](/molmil-images/mine/4nkl) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A/I92Q at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Sorenson, J.L, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-11-12 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pressure effects in proteins To be Published
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4NMZ
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![BU of 4nmz by Molmil](/molmil-images/mine/4nmz) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23Q/V66A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Sorenson, J.L, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-11-15 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cavities in proteins To be Published
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4NDX
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![BU of 4ndx by Molmil](/molmil-images/mine/4ndx) | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92N at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-10-28 | Release date: | 2013-11-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.496 Å) | Cite: | Polar cavities in proteins To be Published
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3TME
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![BU of 3tme by Molmil](/molmil-images/mine/3tme) | Crystal structure of Staphylococcal nuclease variant Delta+NVIAGLA V23E at cryogenic temperature | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Robinson, A.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2011-08-31 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+NVIAGLA V23E at cryogenic temperature To be Published
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3QB3
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![BU of 3qb3 by Molmil](/molmil-images/mine/3qb3) | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92KL25A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2011-01-12 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Relocation of internal ionizable residues to cavities created by single alanine substitutions 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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4KAP
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![BU of 4kap by Molmil](/molmil-images/mine/4kap) | The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand | Descriptor: | 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Lange, H, Lockett, M.R, Breiten, B, Heroux, A, Sherman, W, Rappoport, D, Yau, P.O, Snyder, P.W, Whitesides, G.M. | Deposit date: | 2013-04-22 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand. Angew.Chem.Int.Ed.Engl., 52, 2013
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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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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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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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3RUZ
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![BU of 3ruz by Molmil](/molmil-images/mine/3ruz) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V74K at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Clark, I, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B. | Deposit date: | 2011-05-05 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Internal ionizable residues in proteins To be Published
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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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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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3T16
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![BU of 3t16 by Molmil](/molmil-images/mine/3t16) | |
3SHL
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![BU of 3shl by Molmil](/molmil-images/mine/3shl) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V74KL25A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2011-06-16 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Redirection of internal ionizable residues by engineered cavities To be Published
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