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6T5Q
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BU of 6t5q by Molmil
Human Carbonic anhydrase XII bound by 3,5-diphenylbenzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-16
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T5P
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BU of 6t5p by Molmil
Human Carbonic anhydrase XII bound by 3,5-Di-tert-butylbenzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3,5-di~{tert}-butylbenzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-16
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T4O
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BU of 6t4o by Molmil
Human Carbonic anhydrase II bound by 3,5-dimethylbenzenesulfonamide
Descriptor: 3,5-dimethylbenzenesulfonamide, BICINE, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-14
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.133 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T81
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BU of 6t81 by Molmil
Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide.
Descriptor: AZIDE ION, BICINE, SODIUM ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-23
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T4N
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BU of 6t4n by Molmil
Human Carbonic anhydrase II bound by 2,4,6-trimethylbenzenesulfonamide
Descriptor: 2,4,6-trimethylbenzenesulfonamide, 2-piperazin-1-ylethanol, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-14
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T5C
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BU of 6t5c by Molmil
Human Carbonic anhydrase II bound by anthracene-9-sulfonamide
Descriptor: BICINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-15
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6T4P
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BU of 6t4p by Molmil
Human Carbonic anhydrase II bound by napthalene-1-sulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, SODIUM ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-10-14
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
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
5K5W
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BU of 5k5w by Molmil
Crystal structure of limiting CO2-inducible protein LCIB
Descriptor: ZINC ION, limiting CO2-inducible protein LCIB
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Cajar, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.591 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
3TEO
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BU of 3teo by Molmil
APO Form of carbon disulfide hydrolase (selenomethionine form)
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, Carbon disulfide hydrolase
Authors:Smeulders, M.J, Barends, T.R.M.B, Pol, A, Scherer, A, Zandvoort, M.H, Udvarhelyi, A, Khadem, A, Menzel, A, Hermans, J, Shoeman, R.L, Wessels, H.J.C.T, van den Heuvel, L.P, Russ, L, Schlichting, I, Jetten, M.S.M, Op den Camp, H.J.M.
Deposit date:2011-08-15
Release date:2011-10-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon.
Nature, 478, 2011
5B5X
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BU of 5b5x by Molmil
Crystal structure of limiting CO2-inducible protein LCIC
Descriptor: SULFATE ION, ZINC ION, limiting CO2-inducible protein LCIC
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Cajar, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.511 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5B5Y
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BU of 5b5y by Molmil
Crystal structure of PtLCIB4, a homolog of the limiting CO2-inducible protein LCIB
Descriptor: ACETATE ION, PtLCIB4, ZINC ION
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Cajar, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5B5Z
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BU of 5b5z by Molmil
Crystal structure of PtLCIB4 H88A mutant, a homolog of the limiting CO2-inducible protein LCIB
Descriptor: PtLCIB4 H88A mutant, ZINC ION
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Caja, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5B60
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BU of 5b60 by Molmil
Crystal structure of PtLCIB4 S47R mutant, a homolog of the limiting CO2-inducible protein LCIB
Descriptor: CHLORIDE ION, PtLCIB4 S47R mutant, ZINC ION
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Caja, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
3TEN
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BU of 3ten by Molmil
Holo form of carbon disulfide hydrolase
Descriptor: CS2 hydrolase, ZINC ION
Authors:Smeulders, M.J, Barends, T.R.M.B, Pol, A, Scherer, A, Zandvoort, M.H, Udvarhelyi, A, Khadem, A, Menzel, A, Hermans, J, Shoeman, R.L, Wessels, H.J.C.T, van den Heuvel, L.P, Russ, L, Schlichting, I, Jetten, M.S.M, Op den Camp, H.J.M.
Deposit date:2011-08-15
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon.
Nature, 478, 2011
5WLU
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BU of 5wlu by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
Descriptor: 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic Anhydrase IX-mimic, ZINC ION
Authors:Lomelino, C.L, Andring, J.T, McKenna, R.
Deposit date:2017-07-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs
To Be Published
2GEH
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BU of 2geh by Molmil
N-Hydroxyurea, a versatile zinc binding function in the design of metalloenzyme inhibitors
Descriptor: Carbonic anhydrase 2, MERCURY (II) ION, N-HYDROXYUREA, ...
Authors:Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
Deposit date:2006-03-20
Release date:2006-06-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:N-Hydroxyurea-A versatile zinc binding function in the design of metalloenzyme inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
5WLR
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BU of 5wlr by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
Descriptor: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic Anhydrase IX-mimic, GLYCEROL, ...
Authors:Lomelino, C.L, Andring, J.T, McKenna, R.
Deposit date:2017-07-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs
To Be Published
5ZXW
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BU of 5zxw by Molmil
Crystal structure of human carbonic anhydrase II crystallized by ammonium sulfate
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION
Authors:Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T.
Deposit date:2018-05-22
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.316 Å)
Cite:Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization
Cryst.Growth Des., 19, 2019
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
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
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
4ZNZ
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BU of 4znz by Molmil
Crystal structure of Escherichia coli carbonic anhydrase (YadF) in complex with Zn - artifact of purification
Descriptor: Carbonic anhydrase, ZINC ION
Authors:Gasiorowska, O.A, Niedzialkowska, E, Porebski, P.J, Handing, K.B, Shabalin, I.G, Cymborowski, M.T, Minor, W.
Deposit date:2015-05-05
Release date:2015-05-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Protein purification and crystallization artifacts: The tale usually not told.
Protein Sci., 25, 2016
6XVH
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BU of 6xvh by Molmil
carbonic anhydrase with bound arylsulfonamide- boronic acid
Descriptor: (4-sulfamoylphenyl)boronic acid, Carbonic anhydrase 2, ZINC ION
Authors:Perez, C, Zhang, B.
Deposit date:2020-01-22
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An easy to assemble, fully modulable, selectiv and colorimetric artificial bio-sensor for fingerprintting the recognition of neurotransmitters
To Be Published

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PDB entries from 2024-07-17

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