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PDB: 387 件
5WGP
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BU of 5wgp by Molmil
Human Carbonic Anhydrase IX-mimic complexed with AceK
分子名称: Acesulfame, Carbonic anhydrase 2, ZINC ION
著者Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R.
登録日2017-07-14
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献"Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61, 2018
5W8B
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BU of 5w8b by Molmil
Carbonic anhydrase II in complex with activating histamine pyridinium derivative
分子名称: 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium, Carbonic anhydrase 2, GLYCEROL, ...
著者Bhatt, A, Ilies, M, McKenna, R.
登録日2017-06-21
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Crystal Structure of Carbonic Anhydrase II in Complex with an Activating Ligand: Implications in Neuronal Function.
Mol. Neurobiol., 55, 2018
3MWO
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BU of 3mwo by Molmil
Human carbonic anhydrase II in a doubled monoclinic cell: a re-determination
分子名称: Carbonic anhydrase 2, ZINC ION
著者Robbins, A.H, McKenna, R.
登録日2010-05-06
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Emerging from pseudo-symmetry: the redetermination of human carbonic anhydrase II in monoclinic P2(1) with a doubled a axis.
Acta Crystallogr.,Sect.D, 66, 2010
4ITP
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BU of 4itp by Molmil
Structure of human carbonic anhydrase II bound to a benzene sulfonamide
分子名称: 2-phenyl-N-(4-sulfamoylbenzyl)acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Biswas, S, McKenna, R.
登録日2013-01-18
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Structural study of the location of the phenyl tail of benzene sulfonamides and the effect on human carbonic anhydrase inhibition.
Bioorg.Med.Chem., 21, 2013
4IWZ
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BU of 4iwz by Molmil
structure of hCAII in complex with an acetazolamide derivative
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biswas, S, McKenna, R.
登録日2013-01-24
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Effect of incorporating a thiophene tail in the scaffold of acetazolamide on the inhibition of human carbonic anhydrase isoforms I, II, IX and XII.
Bioorg.Med.Chem.Lett., 23, 2013
4K13
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BU of 4k13 by Molmil
Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with dorzolamide
分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Biswas, S, McKenna, R.
登録日2013-04-04
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Developing isoform specific inhibitors for hCAIX using CAIX mimic
To be Published
4K1Q
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BU of 4k1q by Molmil
Structure of hCAIX mimic (hCAII with 5 mutations in active site)
分子名称: Carbonic anhydrase 2, ZINC ION
著者Biswas, S, McKenna, R.
登録日2013-04-05
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Developing isoform specific inhibitors for hCAIX using CAIX mimic
To be Published
4L5V
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BU of 4l5v by Molmil
The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Boone, C.D, Gill, S, McKenna, R.
登録日2013-06-11
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
4K0Z
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BU of 4k0z by Molmil
Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with methazolamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ...
著者Biswas, S, McKenna, R.
登録日2013-04-04
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Developing isoform specific inhibitors for hCAIX using CAIX mimic
To be Published
1THK
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BU of 1thk by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
分子名称: Carbonic anhydrase II, ZINC ION
著者Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
登録日2004-06-01
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
4L5W
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BU of 4l5w by Molmil
Structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Boone, C.D, Gill, S, McKenna, R.
登録日2013-06-11
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
4L5U
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BU of 4l5u by Molmil
The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Boone, C.D, Gill, S, McKenna, R.
登録日2013-06-11
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
4M2U
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BU of 4m2u by Molmil
Carbonic Anhydrase II in complex with Dorzolamide
分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
1TG3
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BU of 1tg3 by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
分子名称: Carbonic anhydrase II, SULFATE ION, ZINC ION
著者Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
登録日2004-05-28
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
1TH9
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BU of 1th9 by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
分子名称: Carbonic anhydrase II, SULFATE ION, ZINC ION
著者Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
登録日2004-06-01
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
1T9N
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BU of 1t9n by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
分子名称: Carbonic anhydrase II, SULFATE ION, ZINC ION
著者Fisher, Z, Hernandez Prada, J, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
登録日2004-05-18
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
4K0T
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BU of 4k0t by Molmil
Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with chlorzolamide
分子名称: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Biswas, S, McKenna, R.
登録日2013-04-04
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Designing isoform specific inhibitors against hCAIX using CAIX mimic
To be Published
4K0S
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BU of 4k0s by Molmil
Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
著者Biswas, S, McKenna, R.
登録日2013-04-04
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Developing isoform specific inhibitors against hCAIX using CAIX mimic
To be Published
4M2W
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BU of 4m2w by Molmil
Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide
分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, McKenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.658 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
1TG9
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BU of 1tg9 by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
分子名称: Carbonic anhydrase II, ZINC ION
著者Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
登録日2004-05-28
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
4M2V
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BU of 4m2v by Molmil
Genetically engineered Carbonic Anhydrase IX in complex with Brinzolamide
分子名称: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.718 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
4M2R
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BU of 4m2r by Molmil
Human Carbonic Anhydrase II in complex with Brinzolamide
分子名称: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
3PWE
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BU of 3pwe by Molmil
Crystal structure of the E. coli beta clamp mutant R103C, I305C, C260S, C333S at 2.2A resolution
分子名称: DNA polymerase III subunit beta
著者Marzahn, M.R, Robbins, A.H, McKenna, R, Bloom, L.B.
登録日2010-12-08
公開日2011-10-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献The E. coli clamp loader can actively pry open the beta-sliding clamp
J.Biol.Chem., 286, 2011
3RLD
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BU of 3rld by Molmil
Crystal structure of the Y7I mutant of human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION
著者Avvaru, B.S, Mikulski, R, McKenna, R.
登録日2011-04-19
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Kinetic and crystallographic studies of the role of tyrosine 7 in the active site of human carbonic anhydrase II.
Arch.Biochem.Biophys., 506, 2011
6UGR
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BU of 6ugr by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-208
分子名称: 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
著者Murray, A.B, Lomelino, C.L, McKenna, R.
登録日2019-09-26
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020

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