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6TL5
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BU of 6tl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-12-01
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6VKG
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BU of 6vkg by Molmil
Human carbonic anhydrase IX mimic with Epacadostat bound
Descriptor: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, SULFATE ION, ZINC ION, ...
Authors:Peat, T.S, Carta, F, Supuran, C.T.
Deposit date:2020-01-20
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX.
Bioorg.Chem., 97, 2020
6NJ6
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BU of 6nj6 by Molmil
Thermostable variant of human carbonic anhydrase with tetrazine 2.0 at site 186 reacted with sTCO in crystallo
Descriptor: Carbonic anhydrase 2, GLYCEROL, METHANOL, ...
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
6NJ5
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BU of 6nj5 by Molmil
Thermostable variant of human carbonic anhydrase II with disordered tetrazine 2.0 at site 233
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
6NJ4
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BU of 6nj4 by Molmil
Thermostable variant of human carbonic anhydrase with disordered tetrazine 2.0 reacted with strained trans-cyclooctene at site 233
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
6NJ2
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BU of 6nj2 by Molmil
thermostable carbonic anhydrase II variant with tetrazine 2.0 at site 186
Descriptor: Carbonic anhydrase 2, GLYCEROL, SULFATE ION, ...
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
6NJ3
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BU of 6nj3 by Molmil
Thermostable variant of human carbonic anhydrase with ordered tetrazine 2.0 at site 233
Descriptor: ACETATE ION, Carbonic anhydrase 2, ZINC ION
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
6OUK
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BU of 6ouk by Molmil
Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B
Descriptor: (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B
To Be Published
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
2FOU
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BU of 2fou by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: COPPER (II) ION, Carbonic Anhydrase II, GLYCEROL, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-14
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.99 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
6OTK
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BU of 6otk by Molmil
Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB10-596B
Descriptor: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-03
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.123 Å)
Cite:Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
6OTQ
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BU of 6otq by Molmil
Carbonic Anhydrase II complexed with ureic benzene sulfonamide MB10-596B
Descriptor: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-03
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.467 Å)
Cite:Carbonic Anhydrase II complexed with benzene sulfonamide MB9-561B
To Be Published
6OUH
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BU of 6ouh by Molmil
Carbonic Anhydrase II mimic complexed with benzene sulfonamide MB11-710A
Descriptor: 3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Carbonic Anhydrase II mimic complexed with benzene sulfonamide MB11-710A
To Be Published
2FOV
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BU of 2fov by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: ACETONITRILE, COPPER (II) ION, Carbonic Anhydrase II, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-14
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.15 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
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
2FNM
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BU of 2fnm by Molmil
Activation of human carbonic anhdyrase II by exogenous proton donors
Descriptor: ZINC ION, carbonic anhydrase 2
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
6OE1
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BU of 6oe1 by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-03-27
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
2FMZ
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BU of 2fmz by Molmil
Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine, structure with D-Phenylalanine.
Descriptor: Carbonic anhydrase 2, D-PHENYLALANINE, MERCURY (II) ION, ...
Authors:Temperini, C, Scozzafava, A, Vullo, D, Supuran, C.T.
Deposit date:2006-01-10
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, VA, VII, and XIV with l- and d-Phenylalanine and Crystallographic Analysis of Their Adducts with Isozyme II: Stereospecific Recognition within the Active Site of an Enzyme and Its Consequences for the Drug Design.
J.Med.Chem., 49, 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
2FOS
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BU of 2fos by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: COPPER (II) ION, Carbonic Anhydrase II, ZINC ION, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-13
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 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
5SZ2
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BU of 5sz2 by Molmil
Carbonic anhydrase II in complex with 4-(3-formylphenyl)-benzenesulfonamide
Descriptor: 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
Deposit date:2016-08-12
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ7
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BU of 5sz7 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(3-quinolinyl)-benzenesulfonamide
Descriptor: 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
Deposit date:2016-08-12
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.776 Å)
Cite:Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
6ODZ
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BU of 6odz by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-03-27
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
5SZ4
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BU of 5sz4 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(phenyl)-benzenesulfonamide
Descriptor: 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
Deposit date:2016-08-12
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
6OTI
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BU of 6oti by Molmil
Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB9-561B
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:Kota, A, McKenna, R.
Deposit date:2019-05-03
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published

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