6SDI
 
 | | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Gloeckner, S, Haake, M, Heine, A, Klebe, G. | | Deposit date: | 2019-07-27 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM
To Be Published
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6SFQ
 | | Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-08-02 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione
To Be Published
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6SBL
 | | Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-hexylbenzenesulfonamide, CITRATE ANION, ... | | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-07-21 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide
To Be Published
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6SDL
 | | Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Gerber, H.D, Heine, A, Klebe, G. | | Deposit date: | 2019-07-28 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide
To Be Published
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6SG6
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6SG0
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6SEY
 | | Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(4-oxidanylbutyl)benzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-07-30 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide
To Be Published
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6RVL
 | | Crystal structure of hCA II with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-?N'-phenyl- | | Descriptor: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea, Carbonic anhydrase 2, ZINC ION | | Authors: | Di Fiore, A, De Simone, G. | | Deposit date: | 2019-05-31 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
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6SYS
 | | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 | | Descriptor: | (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2019-10-01 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
To Be Published
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3TIS
 | | Crystal structures of yrdA from Escherichia coli, a homologous protein of gamma-class carbonic anhydrases, show possible allosteric conformations | | Descriptor: | Protein YrdA, ZINC ION | | Authors: | Park, H.M, Chio, J.W, Lee, J.E, Jung, J.H, Kim, B.Y, Kim, J.S. | | Deposit date: | 2011-08-21 | | Release date: | 2012-08-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of the gamma-class carbonic anhydrase homologue YrdA suggest a possible allosteric switch
Acta Crystallogr.,Sect.D, 68, 2012
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3TIO
 | | Crystal structures of yrdA from Escherichia coli, a homologous protein of gamma-class carbonic anhydrase, show possible allosteric conformations | | Descriptor: | PHOSPHATE ION, Protein YrdA, ZINC ION | | Authors: | Park, H.M, Choi, J.W, Lee, J.E, Jung, C.H, Kim, B.Y, Kim, J.S. | | Deposit date: | 2011-08-21 | | Release date: | 2012-08-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structures of the gamma-class carbonic anhydrase homologue YrdA suggest a possible allosteric switch
Acta Crystallogr.,Sect.D, 68, 2012
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3M2Z
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1IF9
 | | Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE, ... | | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | | Deposit date: | 2001-04-12 | | Release date: | 2001-05-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme.
Proc.Natl.Acad.Sci.USA, 99, 2002
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6C7W
 | | Carbonic anhydrase 2 in complex with [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE inhibitor | | Descriptor: | Carbonic anhydrase 2, SODIUM ION, ZINC ION, ... | | Authors: | Peat, T.S, Mujumdar, P, Poulsen, S.A. | | Deposit date: | 2018-01-23 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Synthesis, structure and bioactivity of primary sulfamate-containing natural products.
Bioorg. Med. Chem. Lett., 28, 2018
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2MFZ
 | | NMR structure of C-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) | | Descriptor: | Minor ampullate spidroin | | Authors: | Otikovs, M, Jaudzems, K, Andersson, M, Chen, G, Landreh, M, Nordling, K, Kronqvist, N, Westermark, P, Jornvall, H, Knight, S, Ridderstrale, Y, Holm, L, Meng, Q, Chesler, M, Johansson, J, Rising, A. | | Deposit date: | 2013-10-24 | | Release date: | 2014-08-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Carbonic Anhydrase Generates CO2 and H+ That Drive Spider Silk Formation Via Opposite Effects on the Terminal Domains
Plos Biol., 12, 2014
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4FU5
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1IF7
 | | Carbonic Anhydrase II Complexed With (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide | | Descriptor: | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | | Deposit date: | 2001-04-12 | | Release date: | 2001-05-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme.
Proc.Natl.Acad.Sci.USA, 99, 2002
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6C7X
 | | Carbonic anhydrase 2 in complex with 2-chloro-5'-O-sulfamoyladenosine | | Descriptor: | 2-chloro-5'-O-sulfamoyladenosine, Carbonic anhydrase 2, SODIUM ION, ... | | Authors: | Peat, T.S, Mujumdar, P, Poulsen, S.A. | | Deposit date: | 2018-01-23 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Synthesis, structure and bioactivity of primary sulfamate-containing natural products.
Bioorg. Med. Chem. Lett., 28, 2018
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8C0R
 | | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | | Descriptor: | Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide | | Authors: | Alterio, V, De Simone, G, Esposito, D. | | Deposit date: | 2022-12-19 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
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8B29
 | | Human carbonic anhydrase II containing 6-fluorotryptophanes. | | Descriptor: | Carbonic anhydrase 2, ZINC ION | | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | | Deposit date: | 2022-09-13 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct Expression of Fluorinated Proteins in Human Cells for 19 F In-Cell NMR Spectroscopy.
J.Am.Chem.Soc., 145, 2023
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6TL6
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1V67
 | | Structure of ferripyochelin binding protein from pyrococcus horikoshii OT3 | | Descriptor: | BICARBONATE ION, CALCIUM ION, ZINC ION, ... | | Authors: | Jeyakanthan, J, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-11-27 | | Release date: | 2003-12-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Observation of a calcium-binding site in the gamma-class carbonic anhydrase from Pyrococcus horikoshii.
Acta Crystallogr.,Sect.D, 64, 2008
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6KFS
 | | Structure of CCM related protein | | Descriptor: | LCIB_C_CA domain-containing protein, ZINC ION | | Authors: | Jin, S, Gao, Y.G. | | Deposit date: | 2019-07-08 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural and biochemical characterization of novel carbonic anhydrases from Phaeodactylum tricornutum.
Acta Crystallogr D Struct Biol, 76, 2020
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1V3W
 | | Structure of Ferripyochelin binding protein from Pyrococcus horikoshii OT3 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Jeyakanthan, J, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-11-07 | | Release date: | 2003-11-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Observation of a calcium-binding site in the gamma-class carbonic anhydrase from Pyrococcus horikoshii.
Acta Crystallogr.,Sect.D, 64, 2008
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2FKO
 | | Structure of PH1591 from Pyrococcus horikoshii OT3 | | Descriptor: | 1,2-ETHANEDIOL, 173aa long hypothetical ferripyochelin binding protein, ZINC ION | | Authors: | Jeyakanthan, J, Tahirov, T.H, Yokoyama, S, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-01-05 | | Release date: | 2007-01-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Observation of a calcium-binding site in the gamma-class carbonic anhydrase from Pyrococcus horikoshii.
Acta Crystallogr.,Sect.D, 64, 2008
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