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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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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