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PDB: 20 results

5EZT
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BU of 5ezt by Molmil
Peracetylated Bovine Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Whitesides, G.M, Kang, K, Choi, J.-M, Fox, J.M.
Deposit date:2015-11-26
Release date:2016-07-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Acetylation of Surface Lysine Groups of a Protein Alters the Organization and Composition of Its Crystal Contacts.
J.Phys.Chem.B, 120, 2016
4YGK
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BU of 4ygk by Molmil
NaSCN--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: Carbonic anhydrase 2, HYDROXIDE ION, THIOCYANATE ION, ...
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
4YGJ
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BU of 4ygj by Molmil
NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: BROMIDE ION, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
4YGN
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BU of 4ygn by Molmil
NaI--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: Carbonic anhydrase 2, IODIDE ION, ZINC ION
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
4YGL
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BU of 4ygl by Molmil
NaClO4--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: Carbonic anhydrase 2, HYDROXIDE ION, PERCHLORATE ION, ...
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
4KAP
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BU of 4kap by Molmil
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
5JG3
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BU of 5jg3 by Molmil
Human carbonic anhydrase II (121T/N67Q) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-19
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JGS
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BU of 5jgs by Molmil
Human carbonic anhydrase II (F131Y/L198A) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-20
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JDV
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BU of 5jdv by Molmil
Human carbonic anhydrase II (F131W) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-17
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JEH
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BU of 5jeh by Molmil
Human carbonic anhydrase II (L198A) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JES
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BU of 5jes by Molmil
Human carbonic anhydrase II (V121T) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.205 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JEG
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BU of 5jeg by Molmil
Human carbonic anhydrase II (V121I) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JEP
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BU of 5jep by Molmil
Human carbonic anhydrase II (T199S) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JE7
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BU of 5je7 by Molmil
Human carbonic anhydrase II (F131Y) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-17
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JG5
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BU of 5jg5 by Molmil
Human carbonic anhydrase II (V121T/F131Y) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-19
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JGT
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BU of 5jgt by Molmil
Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide
Descriptor: 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-20
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
3RYJ
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BU of 3ryj by Molmil
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
1IF8
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BU of 1if8 by Molmil
Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
Descriptor: (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I.
Deposit date:2001-04-12
Release date:2001-05-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Combinatorial computational method gives new picomolar ligands for a known enzyme.
Proc.Natl.Acad.Sci.USA, 99, 2002
1IF9
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BU of 1if9 by Molmil
Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE, ...
Authors:Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I.
Deposit date:2001-04-12
Release date:2001-05-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Combinatorial computational method gives new picomolar ligands for a known enzyme.
Proc.Natl.Acad.Sci.USA, 99, 2002
1IF7
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BU of 1if7 by Molmil
Carbonic Anhydrase II Complexed With (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
Descriptor: (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I.
Deposit date:2001-04-12
Release date:2001-05-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Combinatorial computational method gives new picomolar ligands for a known enzyme.
Proc.Natl.Acad.Sci.USA, 99, 2002

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