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4HEY
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BU of 4hey by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: 4-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HEW
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BU of 4hew by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: 2-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6984 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
1RAY
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BU of 1ray by Molmil
THE STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BROMIDE AND AZIDE
Descriptor: AZIDE ION, CARBONIC ANHYDRASE II, ZINC ION
Authors:Jonsson, B.M, Hakansson, K, Liljas, A.
Deposit date:1993-04-02
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of human carbonic anhydrase II in complex with bromide and azide.
FEBS Lett., 322, 1993
4HEZ
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BU of 4hez by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: 1-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3446 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4E4A
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BU of 4e4a by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: 2-sulfanylbenzoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Cohen, S.M, Martin, D.P.
Deposit date:2012-03-12
Release date:2012-06-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
4E3D
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BU of 4e3d by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: 2,5-dihydroxybenzoic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Cohen, S.M.
Deposit date:2012-03-09
Release date:2012-06-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
2ESF
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BU of 2esf by Molmil
Identification of a Novel Non-Catalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, ZINC ION
Authors:Cronk, J.D, Rowlett, R.S, Zhang, K.Y.J, Tu, C, Endrizzi, J.A, Gareiss, P.C.
Deposit date:2005-10-26
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase.
Biochemistry, 45, 2006
5SWC
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BU of 5swc by Molmil
The structure of the beta-carbonic anhydrase CcaA
Descriptor: CHLORIDE ION, Carbonic anhydrase, FORMIC ACID, ...
Authors:Kimber, M.S, McGurn, L, White, S.A.
Deposit date:2016-08-08
Release date:2016-10-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure, kinetics and interactions of the beta-carboxysomal beta-carbonic anhydrase, CcaA.
Biochem. J., 473, 2016
6UGQ
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BU of 6ugq by Molmil
Human Carbonic Anhydrase IX-mimic complexed with SB4-206
Descriptor: 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION
Authors:Murray, A.B, Lomelino, C.L, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.305 Å)
Cite:"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
6UH0
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BU of 6uh0 by Molmil
Human Carbonic Anhydrase 2 in complex with SB4-202
Descriptor: 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
Authors:Murray, A.B, Lomelino, C.L, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.306 Å)
Cite:"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
6UGR
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BU of 6ugr by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-208
Descriptor: 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
Authors:Murray, A.B, Lomelino, C.L, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.307 Å)
Cite:"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
Descriptor: 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION
Authors:Murray, A.B, Lomelino, C.L, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.306 Å)
Cite:"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
Descriptor: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
Authors:Murray, A.B, Supuran, C.T, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:"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
Descriptor: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, CITRIC ACID, Carbonic anhydrase IX-mimic, ...
Authors:Murray, A.B, McKenna, R, Lomelino, C.L.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.457 Å)
Cite:"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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ...
Authors:Murray, A.B, Lomelino, C.L, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.306 Å)
Cite:"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
2A8D
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BU of 2a8d by Molmil
Haemophilus influenzae beta-carbonic anhydrase complexed with bicarbonate
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Cronk, J.D, Rowlett, R.S, Zhang, K.Y.J, Tu, C, Endrizzi, J.A, Lee, J, Gareiss, P.C, Preiss, J.R.
Deposit date:2005-07-07
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase
Biochemistry, 45, 2006
3E2W
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BU of 3e2w by Molmil
H. influenzae beta-carbonic anhydrase, variant Y181F with 1M bicarbonate
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Rowlett, R.S, Lee, J.
Deposit date:2008-08-06
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.296 Å)
Cite:Allosteric site variants of Haemophilus influenzae beta-carbonic anhydrase.
Biochemistry, 48, 2009
6D2O
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BU of 6d2o by Molmil
Beta Carbonic anhydrase in complex with 4-methylimidazole
Descriptor: 4-METHYLIMIDAZOLE, Carbonic anhydrase, ZINC ION
Authors:Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
Deposit date:2018-04-13
Release date:2018-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
1EKJ
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BU of 1ekj by Molmil
THE X-RAY CRYSTALLOGRAPHIC STRUCTURE OF BETA CARBONIC ANHYDRASE FROM THE C3 DICOT PISUM SATIVUM
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, AZIDE ION, ...
Authors:Kimber, M.S, Pai, E.F.
Deposit date:2000-03-08
Release date:2000-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The active site architecture of Pisum sativum beta-carbonic anhydrase is a mirror image of that of alpha-carbonic anhydrases.
EMBO J., 19, 2000
8OGD
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BU of 8ogd by Molmil
Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ...
Authors:Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
Deposit date:2023-03-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
8OGE
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BU of 8oge by Molmil
Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ...
Authors:Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
Deposit date:2023-03-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
6YPW
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BU of 6ypw by Molmil
Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide
Descriptor: 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Angeli, A, Ferraroni, M.
Deposit date:2020-04-16
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.
J.Med.Chem., 64, 2021
7ONP
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BU of 7onp by Molmil
Wild type carbonic anhydrase II with bound IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
Descriptor: 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 2, ...
Authors:Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
Deposit date:2021-05-25
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.408 Å)
Cite:A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
6KLZ
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BU of 6klz by Molmil
Human Carbonic Anhydrase II V143I variant 00 atm CO2
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Kim, J.K.
Deposit date:2019-07-30
Release date:2020-08-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
3E3F
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BU of 3e3f by Molmil
H. influenzae beta-carbonic anhydrase, variant V47A with 100 mM bicarbonate
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, ZINC ION
Authors:Rowlett, R.S, Mysliwiec, M.
Deposit date:2008-08-07
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010

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