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PDB: 1334 件
1THK
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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
4Z0Q
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Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-26
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
4Z1J
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Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-27
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
1UGB
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BU of 1ugb by Molmil
HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY GLY (A65G)
分子名称: AZIDE ION, CARBONIC ANHYDRASE II, ZINC ION
著者Scolnick, L.R, Christianson, D.W.
登録日1996-07-24
公開日1997-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis.
Biochemistry, 35, 1996
4YXI
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Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2).
分子名称: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-23
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
8Q3U
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BU of 8q3u by Molmil
Crystal structure of a fentanyl derivative in complex with human CA VII
分子名称: Carbonic anhydrase 7, GLYCEROL, ZINC ION, ...
著者Alterio, V, Di Fiore, A, De Simone, G.
登録日2023-08-04
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Discovery of a novel series of potent carbonic anhydrase inhibitors with selective affinity for mu Opioid receptor for Safer and long-lasting analgesia.
Eur.J.Med.Chem., 260, 2023
4YXU
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Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4).
分子名称: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-23
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4Z1N
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Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-27
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
1RZB
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BU of 1rzb by Molmil
X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES
分子名称: CARBONIC ANHYDRASE II, COBALT (II) ION, SULFATE ION
著者Hakansson, K, Wehnert, A, Liljas, A.
登録日1993-05-25
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
4YYT
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BU of 4yyt by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5).
分子名称: 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-24
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4ZAO
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BU of 4zao by Molmil
Genetically engineered Carbonic anhydrase IX
分子名称: Carbonic anhydrase 2, ZINC ION
著者Pinard, M.A, Aggarwal, M.
登録日2015-04-13
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX.
Acta Crystallogr F Struct Biol Commun, 71, 2015
8Q19
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BU of 8q19 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
分子名称: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
著者Leitans, J, Tars, K.
登録日2023-07-31
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q18
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BU of 8q18 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
分子名称: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
著者Leitans, J, Tars, K.
登録日2023-07-31
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q1A
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BU of 8q1a by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor
分子名称: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
著者Leitans, J, Tars, K.
登録日2023-07-31
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
4Z1K
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BU of 4z1k by Molmil
Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-27
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
1KOP
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BU of 1kop by Molmil
NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE
分子名称: AZIDE ION, BETA-MERCAPTOETHANOL, CARBONIC ANHYDRASE, ...
著者Huang, S, Xue, Y, Chirica, L, Lindskog, S, Jonsson, B.-H.
登録日1998-03-22
公開日1998-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide.
J.Mol.Biol., 283, 1998
8Q0C
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BU of 8q0c by Molmil
Human carbonic anhydrase II containing 3-fluorotyrosine
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
著者Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
登録日2023-07-28
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
1RAY
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BU of 1ray by Molmil
THE STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BROMIDE AND AZIDE
分子名称: AZIDE ION, CARBONIC ANHYDRASE II, ZINC ION
著者Jonsson, B.M, Hakansson, K, Liljas, A.
登録日1993-04-02
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of human carbonic anhydrase II in complex with bromide and azide.
FEBS Lett., 322, 1993
4YXO
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BU of 4yxo by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3).
分子名称: 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-23
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4ZX0
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Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Mahon, B.P, Lomelino, C.L, Pinard, M.A, McKenna, R.
登録日2015-05-19
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX using Structure-Activity Relationships of Glucosyl-Based Sulfamates
J. Med. Chem., 58, 2015
5A25
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BU of 5a25 by Molmil
Rational engineering of a mesophilic carbonic anhydrase to an extreme halotolerant biocatalyst
分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, SODIUM ION, ...
著者Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
登録日2015-05-12
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
8OUB
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BU of 8oub by Molmil
The crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-sulfamoylbenzyl)carbamoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
分子名称: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2023-04-22
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.178 Å)
主引用文献The crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-sulfamoylbenzyl)carbamoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
To Be Published
8OTP
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BU of 8otp by Molmil
Crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-(4-sulfamoylbenzoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
分子名称: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2023-04-21
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-(4-sulfamoylbenzoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
To Be Published
1RZA
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BU of 1rza by Molmil
X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES
分子名称: CARBONIC ANHYDRASE II, COBALT (II) ION, OXYGEN MOLECULE
著者Hakansson, K, Wehnert, A, Liljas, A.
登録日1993-05-25
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
1JV0
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BU of 1jv0 by Molmil
THE CRYSTAL STRUCTURE OF THE ZINC(II) ADDUCT OF THE CAI MICHIGAN 1 VARIANT
分子名称: 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, CHLORIDE ION, ...
著者Briganti, F, Ferraroni, M, Chegwidden, W.R, Scozzafava, A, Supuran, C.T, Tilli, S.
登録日2001-08-28
公開日2001-09-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination
Biochemistry, 41, 2002

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