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9CA2
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BU of 9ca2 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 (2.8 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
8SF1
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BU of 8sf1 by Molmil
Carbonic anhydrase II XFEL radiation damage RT
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD9
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BU of 8sd9 by Molmil
Carbonic anhydrase II radiation damage RT 121-150
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD8
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BU of 8sd8 by Molmil
Carbonic anhydrase II radiation damage RT 91-120
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD7
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BU of 8sd7 by Molmil
Carbonic anhydrase II radiation damage RT 61-90
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD6
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BU of 8sd6 by Molmil
Carbonic anhydrase II radiation damage RT 31-60
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD1
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Carbonic anhydrase II radiation damage RT 1-30
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.C, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SAG
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BU of 8sag by Molmil
Carbonic anhydrase II in complex with the coumarin benzene sulfonamide SG1-57
Descriptor: 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Carbonic anhydrase II in complex with novel coumarin benzene sulfonamides
To Be Published
8SAF
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BU of 8saf by Molmil
CA II in complex with the coumarin benzene sulfonamide SG1-51
Descriptor: 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:CA in complex with novel coumarin benzene sulfonamides
To Be Published
8R1I
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BU of 8r1i by Molmil
Human Carbonic Anhydrase II (hCAII) in complex 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 2, ZINC ION
Authors:Kotschy, J, Gasper, R, Linser, R.
Deposit date:2023-11-02
Release date:2023-12-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein.
Angew.Chem.Int.Ed.Engl., 63, 2024
8Q3U
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BU of 8q3u by Molmil
Crystal structure of a fentanyl derivative in complex with human CA VII
Descriptor: Carbonic anhydrase 7, GLYCEROL, ZINC ION, ...
Authors:Alterio, V, Di Fiore, A, De Simone, G.
Deposit date:2023-08-04
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of a novel series of potent carbonic anhydrase inhibitors with selective affinity for mu Opioid receptor for Safer and long-lasting analgesia.
Eur.J.Med.Chem., 260, 2023
8Q1A
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BU of 8q1a by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor
Descriptor: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q19
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BU of 8q19 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q18
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BU of 8q18 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q0C
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BU of 8q0c by Molmil
Human carbonic anhydrase II containing 3-fluorotyrosine
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
Authors:Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
Deposit date:2023-07-28
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
8PHL
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BU of 8phl by Molmil
Human carbonic anhydrase II containing 4-fluorophenylalanine
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
Authors:Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
Deposit date:2023-06-20
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
8P6U
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BU of 8p6u by Molmil
Human carbonic anhydrase II containing 5-fluorotryptophanes
Descriptor: BENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
Deposit date:2023-05-30
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
8OGF
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BU of 8ogf by Molmil
Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide
Descriptor: 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-03-20
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.321 Å)
Cite:Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide
To Be Published
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
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
8JIF
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BU of 8jif by Molmil
Cryo-EM Structure of 3-axis block of AAV9P31-Car4 complex
Descriptor: Capsid protein VP1, Carbonic anhydrase 4, ZINC ION
Authors:Zhang, R, Liu, Y, Lou, Z.
Deposit date:2023-05-26
Release date:2024-01-31
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.28 Å)
Cite:Structural basis of the recognition of adeno-associated virus by the neurological system-related receptor carbonic anhydrase IV.
Plos Pathog., 20, 2024
8IGF
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BU of 8igf by Molmil
Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution
Descriptor: (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I.
Deposit date:2023-02-20
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution
To Be Published
8FR4
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BU of 8fr4 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3j
Descriptor: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Method:X-RAY DIFFRACTION (1.123 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
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
Method:X-RAY DIFFRACTION (1.307 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
Method:X-RAY DIFFRACTION (2 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023

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PDB entries from 2024-04-17

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