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PDB: 384 件
1TBT
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BU of 1tbt 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2004-05-20
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
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
5SZ3
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BU of 5sz3 by Molmil
Carbonic anhydrase II in complex with 4-(3-quinolinyl)-benzenesulfonamide
分子名称: 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ6
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BU of 5sz6 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(3-formylphenyl)-benzenesulfonamide
分子名称: 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5T84
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BU of 5t84 by Molmil
HIV-1 protease, unbound subtype B L63P construct
分子名称: Protease
著者Liu, Z, Norell, J, Mahon, B, Poole, K, McKenna, R, Fanucci, G.
登録日2016-09-06
公開日2017-09-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Single mutation, L63P, capable of shutting down the flaps of HIV-1 protease
To Be Published
1TB0
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BU of 1tb0 by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
分子名称: CHLORIDE ION, Carbonic anhydrase II, ZINC ION
著者Fisher, Z, Hernandez Prada, J.A, Tu, C, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
登録日2004-05-19
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
1TEU
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BU of 1teu 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2004-05-25
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
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
6UGZ
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BU of 6ugz by Molmil
Human Carbonic Anhydrase IX-mimic complexed with SB4-208
分子名称: 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, 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 (1.306 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
6U4Q
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BU of 6u4q by Molmil
Carbonic anhydrase 2 in complex with SB4197
分子名称: 4-methyl-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2019-08-26
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.306 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
6UGN
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BU of 6ugn by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-205
分子名称: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
著者Murray, A.B, Supuran, C.T, 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 (1.406 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
6UGO
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BU of 6ugo by Molmil
Human Carbonic Anhydrase IX-mimic complexed with SB4-205
分子名称: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, CITRIC ACID, Carbonic anhydrase IX-mimic, ...
著者Murray, A.B, McKenna, R, Lomelino, C.L.
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 (1.457 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
6UGP
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BU of 6ugp by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-206
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ...
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 (1.306 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
6UX1
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BU of 6ux1 by Molmil
Carbonic Anhydrase II Complexed with Salicylic Acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, ...
著者Andring, J.T, Combs, J.E, McKenna, R.
登録日2019-11-06
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Aspirin: A Suicide Inhibitor of Carbonic Anhydrase II.
Biomolecules, 10, 2020
6MBY
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BU of 6mby by Molmil
Carbonic Anhydrase II in complex with Ferulic Acid
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Lomelino, C.L, McKenna, R.
登録日2018-08-30
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献Carbonic anhydrase II in complex with carboxylic acid-based inhibitors.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6MBV
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BU of 6mbv by Molmil
Carbonic Anhydrase II in complex with Nicotinic Acid
分子名称: Carbonic anhydrase 2, GLYCEROL, NICOTINIC ACID, ...
著者Lomelino, C.L, McKenna, R.
登録日2018-08-30
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献Carbonic anhydrase II in complex with carboxylic acid-based inhibitors.
Acta Crystallogr F Struct Biol Commun, 75, 2019
3RG3
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BU of 3rg3 by Molmil
Crystal structure of the W5E mutant of human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, ZINC ION
著者Domsic, J.F, Robbins, A.H, McKenna, R.
登録日2011-04-07
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structure and catalysis by carbonic anhydrase II: role of active-site tryptophan 5.
Arch.Biochem.Biophys., 516, 2011
6VB4
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BU of 6vb4 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A.
登録日2019-12-18
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.334 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
6VB1
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BU of 6vb1 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A.
登録日2019-12-18
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
3RGE
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BU of 3rge by Molmil
Crystal structure of the W5H mutant of human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, ZINC ION
著者Domsic, J.F, Robbins, A.H, McKenna, R.
登録日2011-04-08
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Structure and catalysis by carbonic anhydrase II: role of active-site tryptophan 5.
Arch.Biochem.Biophys., 516, 2011
4QGI
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BU of 4qgi by Molmil
X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, GLYCEROL, Protease
著者Mahon, B.P, McKenna, R, Goldfarb, N.
登録日2014-05-22
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency.
Biochemistry, 54, 2015
4QK2
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BU of 4qk2 by Molmil
Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - E234P
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Boone, C.D, Rasi, V, McKenna, R.
登録日2014-06-05
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.519 Å)
主引用文献Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
4PXX
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BU of 4pxx by Molmil
Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II
分子名称: CHOLIC ACID, Carbonic anhydrase 2, MAGNESIUM ION, ...
著者Boone, C.D, Habibzadegan, A, McKenna, R.
登録日2014-03-25
公開日2015-06-10
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II
TO BE PUBLISHED
6NM0
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BU of 6nm0 by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
分子名称: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Singh, S, McKenna, R.
登録日2019-01-10
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
6NLV
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BU of 6nlv by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
分子名称: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Singh, S, McKenna, R.
登録日2019-01-09
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021

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