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3UCM
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BU of 3ucm by Molmil
Coccomyxa beta-carbonic anhydrase in complex with thiocyanate
Descriptor: Carbonic anhydrase, THIOCYANATE ION, ZINC ION
Authors:Huang, S, Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2011-10-27
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.513 Å)
Cite:Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide.
Plos One, 6, 2011
3UCO
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BU of 3uco by Molmil
Coccomyxa beta-carbonic anhydrase in complex with iodide
Descriptor: Carbonic anhydrase, IODIDE ION, ZINC ION
Authors:Huang, S, Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2011-10-27
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide.
Plos One, 6, 2011
6LUY
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BU of 6luy by Molmil
Zn- Carbonic Anhydrase II pH 11.0 0 atm CO2
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Kim, J.K.
Deposit date:2020-02-02
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Elucidating the role of metal ions in carbonic anhydrase catalysis.
Nat Commun, 11, 2020
6LV5
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BU of 6lv5 by Molmil
Ni- Carbonic Anhydrase II pH 7.8 0 atm CO2
Descriptor: Carbonic anhydrase 2, GLYCEROL, NICKEL (II) ION
Authors:Kim, C.U, Kim, J.K.
Deposit date:2020-02-02
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Elucidating the role of metal ions in carbonic anhydrase catalysis.
Nat Commun, 11, 2020
3TVN
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BU of 3tvn by Molmil
Human Carbonic Anhydrase II Proton Transfer Mutant
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Mikulski, R.L, West, D.M, Sippel, K.H, Avvaru, B.S, Chingkuang, T, McKenna, R.
Deposit date:2011-09-20
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Water Networks in Fast Proton Transfer during Catalysis by Human Carbonic Anhydrase II.
Biochemistry, 52, 2013
3TVO
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BU of 3tvo by Molmil
Human Carbonic Anhydrase II Proton Transfer Double Mutant
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Mikulski, R.M.
Deposit date:2011-09-20
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Water Networks in Fast Proton Transfer during Catalysis by Human Carbonic Anhydrase II.
Biochemistry, 52, 2013
4MO8
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BU of 4mo8 by Molmil
The crystal structure of the human carbonic anhydrase II in complex with N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide
Descriptor: Carbonic anhydrase 2, N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2013-09-11
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hypoxia-Targeting Carbonic Anhydrase IX Inhibitors by a New Series of Nitroimidazole-Sulfonamides/Sulfamides/Sulfamates.
J.Med.Chem., 56, 2013
5JJ8
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BU of 5jj8 by Molmil
Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated from Pseudomonas aeruginosa - alternate crystal packing form
Descriptor: Carbonic anhydrase, ZINC ION
Authors:Pinard, M.A, Kurian, J.J, Aggarwal, M, Agbandje-McKenna, M, McKenna, R.
Deposit date:2016-04-22
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.585 Å)
Cite:Cryoannealing-induced space-group transition of crystals of the carbonic anhydrase psCA3.
Acta Crystallogr.,Sect.F, 72, 2016
8CA2
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BU of 8ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Alexander, R.S, Christianson, D.W.
Deposit date:1991-07-09
Release date:1992-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
3KNE
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BU of 3kne by Molmil
Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide, ...
Authors:Schulze-Wischeler, J, Heine, A, Klebe, G.
Deposit date:2009-11-12
Release date:2011-05-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
3KS3
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BU of 3ks3 by Molmil
High resolution structure of Human Carbonic Anhydrase II at 0.9 A
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Avvaru, B.S.
Deposit date:2009-11-20
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:A short, strong hydrogen bond in the active site of human carbonic anhydrase II.
Biochemistry, 49, 2010
3KKX
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BU of 3kkx by Molmil
Neutron structure of human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z, Langan, P.A.
Deposit date:2009-11-06
Release date:2010-01-12
Last modified:2023-09-06
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Neutron structure of human carbonic anhydrase II: implications for proton transfer.
Biochemistry, 49, 2010
2FOQ
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BU of 2foq by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-13
Release date:2006-02-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2FNK
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BU of 2fnk by Molmil
Activation of Human Carbonic Anhydrase II by exogenous proton donors
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N.
Deposit date:2006-01-11
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
7SUY
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BU of 7suy by Molmil
Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SUW
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BU of 7suw by Molmil
Carbonic Anhydrase IX-mimic with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
Authors:McKenna, R, Combs, J.E.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.456 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SV1
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BU of 7sv1 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.559 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SV8
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BU of 7sv8 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
5TFX
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BU of 5tfx by Molmil
New method for synthesis of benzoxazole amide inhibitors of carbonic anhydrase
Descriptor: Carbonic anhydrase 2, GLYCEROL, N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide, ...
Authors:Peat, T.S, Supuran, C.
Deposit date:2016-09-26
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Intramolecular oxidative deselenization of acylselenoureas: a facile synthesis of benzoxazole amides and carbonic anhydrase inhibitors.
Org. Biomol. Chem., 14, 2016
2FOY
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BU of 2foy by Molmil
Human Carbonic Anhydrase I complexed with a two-prong inhibitor
Descriptor: Carbonic anhydrase 1, ZINC ION, {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER
Authors:Jude, K.M, Banerjee, A.L, Haldar, M.K, Manokaran, S, Roy, B, Mallik, S, Srivastava, D.K, Christianson, D.W.
Deposit date:2006-01-14
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
7MU3
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BU of 7mu3 by Molmil
human carbonic anhydrase 9 mimic with compound
Descriptor: Carbonic anhydrase 2, GLYCEROL, IMIDAZOLE, ...
Authors:Peat, T.S.
Deposit date:2021-05-14
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Privileged scaffolds in medicinal chemistry: Studies on pyrazolo[1,5-a]pyrimidines on sulfonamide containing Carbonic Anhydrase inhibitors.
Bioorg.Med.Chem.Lett., 49, 2021
8FR2
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BU of 8fr2 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h
Descriptor: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J.C, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.307 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQY
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BU of 8fqy by Molmil
Carbonic Anhydrase II in complex with the alkyl urea 3h
Descriptor: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.C, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.466 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR1
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BU of 8fr1 by Molmil
Carbonic Anhydrase IX in complex with the alkyl urea compound 3g
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ...
Authors:Combs, J.C, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQX
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BU of 8fqx by Molmil
Carbonic Anhydrase II in complex with the alkyl ureas 3g
Descriptor: 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023

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