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1PU0
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BU of 1pu0 by Molmil
Structure of Human Cu,Zn Superoxide Dismutase
Descriptor: COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:DiDonato, M, Craig, L, Huff, M.E, Thayer, M.M, Cardoso, R.M.F, Kassmann, C.J, Lo, T.P, Bruns, C.K, Powers, E.T, Kelly, J.W, Getzoff, E.D, Tainer, J.A.
Deposit date:2003-06-23
Release date:2003-09-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization
J.Mol.Biol., 332, 2003
4KUY
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BU of 4kuy by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(o-tolylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor
Descriptor: 5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
Authors:Ferraroni, M.
Deposit date:2013-05-22
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:New classes of carbonic anhydrase inhibitors
to be published
4MDL
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BU of 4mdl by Molmil
Meta Carborane Carbonic Anhydrase Inhibitor
Descriptor: 1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Brynda, J, Mader, P, Rezacova, P, Cigler, P.
Deposit date:2013-08-23
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.516 Å)
Cite:Carborane-based carbonic anhydrase inhibitors.
Angew.Chem.Int.Ed.Engl., 52, 2013
4LZX
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BU of 4lzx by Molmil
Complex of IQCG and Ca2+-free CaM
Descriptor: Calmodulin, IQ domain-containing protein G, SULFATE ION
Authors:Liang, W.X, Chen, L.T, Chen, Z, Chen, S.J, Chen, S.
Deposit date:2013-08-01
Release date:2014-05-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Functional and molecular features of the calmodulin-interacting protein IQCG required for haematopoiesis in zebrafish
Nat Commun, 5, 2014
4M2R
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BU of 4m2r by Molmil
Human Carbonic Anhydrase II in complex with Brinzolamide
Descriptor: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
Authors:Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R.
Deposit date:2013-08-05
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
8RBP
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BU of 8rbp by Molmil
Crystal structure of chimeric human carbonic anhydrase IX with 4-chloro-2-(cyclohexylsulfanyl)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, ...
Authors:Manakova, E.N, Smirnov, A, Paketuryte, V, Grazulis, S.
Deposit date:2023-12-04
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:From X-ray crystallographic structure to intrinsic thermodynamics of protein-ligand binding using carbonic anhydrase isozymes as a model system.
Iucrj, 11, 2024
8RAR
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BU of 8rar by Molmil
Crystal structure of chimeric human carbonic anhydrase IX with N-butyl-4-chloro-2-(cyclohexylsulfanyl)-5-sulfamoylbenzamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
Authors:Manakova, E.N, Smirnov, A, Paketuryte, V, Grazulis, S.
Deposit date:2023-12-01
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:From X-ray crystallographic structure to intrinsic thermodynamics of protein-ligand binding using carbonic anhydrase isozymes as a model system.
Iucrj, 11, 2024
8QQA
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BU of 8qqa by Molmil
human carbonic anhydrase II in complex with Bithionol
Descriptor: 1,2-ETHANEDIOL, 2,2'-sulfanediylbis(4,6-dichlorophenol), Carbonic anhydrase 2, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-10-04
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.346 Å)
Cite:human carbonic anhydrase II in complex with Bithionol
To Be Published
8QUF
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BU of 8quf by Molmil
carbonic anhydrase XII mimic in complex with 2-(3-((N-(4-sulfamoylbenzyl)pyridine-3-sulfonamido)methyl)phenoxy)acetic acid
Descriptor: 2-[3-[[pyridin-3-ylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-10-16
Release date:2024-10-23
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.141 Å)
Cite:Novel Carbonic Anhydrase Inhibitors with Dual-Tail Core Sulfonamide Show Potent and Lasting Effects for Glaucoma Therapy.
J.Med.Chem., 67, 2024
4M2W
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BU of 4m2w by Molmil
Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide
Descriptor: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
Authors:Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, McKenna, R.
Deposit date:2013-08-05
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.658 Å)
Cite:Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
4MCN
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BU of 4mcn by Molmil
Human SOD1 C57S Mutant, Metal-free
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn]
Authors:Sea, K, Sohn, S.H, Durazo, A, Sheng, Y, Shaw, B, Cao, X, Taylor, A.B, Whitson, L.J, Holloway, S.P, Hart, P.J, Cabelli, D.E, Gralla, E.B, Valentine, J.S.
Deposit date:2013-08-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights into the role of the unusual disulfide bond in copper-zinc superoxide dismutase.
J.Biol.Chem., 290, 2015
8R2F
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BU of 8r2f by Molmil
human carbonic anhydrase II in complex with 4-(((dimethoxyphosphoryl)(4-((dimethoxyphosphoryl)((4-sulfamoylphenyl)amino)methyl)phenyl)methyl)amino)phenyl sulfuramidite
Descriptor: 1,2-ETHANEDIOL, 4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-11-04
Release date:2024-11-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:human carbonic anhydrase II in complex with 4-(((dimethoxyphosphoryl)(4-((dimethoxyphosphoryl)((4-sulfamoylphenyl)amino)methyl)phenyl)methyl)amino)phenyl sulfuramidite
To Be Published
1O8V
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BU of 1o8v by Molmil
The crystal structure of Echinococcus granulosus fatty-acid-binding protein 1
Descriptor: FATTY ACID BINDING PROTEIN HOMOLOG, PALMITIC ACID
Authors:Jakobsson, E, Alvite, G, Bergfors, T, Esteves, A, Kleywegt, G.J.
Deposit date:2002-12-04
Release date:2003-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure of Echinococcus Granulosus Fatty-Acid-Binding Protein 1
Biochim.Biophys.Acta, 1649, 2003
8R2K
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BU of 8r2k by Molmil
Human Carbonic Anhydrase II in complex with 4-((2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-yl)amino)benzenesulfonamide
Descriptor: 4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-11-06
Release date:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Human Carbonic Anhydrase II in complex with 4-((2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-yl)amino)benzenesulfonamide
To Be Published
4MNG
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BU of 4mng by Molmil
Structure of the DP10.7 TCR with CD1d-sulfatide
Descriptor: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Luoma, A.M, Adams, E.J.
Deposit date:2013-09-10
Release date:2013-12-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.0058 Å)
Cite:Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells.
Immunity, 39, 2013
1OKL
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BU of 1okl by Molmil
CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKL INHIBITOR 5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONAMIDE
Descriptor: 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Nair, S.K, Elbaum, D, Christianson, D.W.
Deposit date:1996-06-25
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unexpected binding mode of the sulfonamide fluorophore 5-dimethylamino-1-naphthalene sulfonamide to human carbonic anhydrase II. Implications for the development of a zinc biosensor.
J.Biol.Chem., 271, 1996
1OKM
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BU of 1okm by Molmil
CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKM INHIBITOR 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE
Descriptor: 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Elbaum, D, Nair, S.K, Patchan, M.W, Thompson, R.B, Christianson, D.W.
Deposit date:1996-06-25
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design of a sulfonamide probe for fluorescence anisotropy detection of zinc with a carbonic anhydrase-based biosensor.
J.Am.Chem.Soc., 118, 1996
4MLT
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BU of 4mlt by Molmil
Structure of a monodentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII
Descriptor: 3-hydroxy-2-methyl-4H-pyran-4-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2013-09-06
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site.
J.Am.Chem.Soc., 136, 2014
1QX7
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BU of 1qx7 by Molmil
Crystal structure of apoCaM bound to the gating domain of small conductance Ca2+-activated potassium channel
Descriptor: Calmodulin, Small conductance calcium-activated potassium channel protein 2
Authors:Schumacher, M.A, Crum, M, Miller, M.C.
Deposit date:2003-09-04
Release date:2004-08-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Crystal structures of apocalmodulin and an apocalmodulin/SK potassium channel gating domain complex.
STRUCTURE, 12, 2004
4L5U
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BU of 4l5u by Molmil
The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Boone, C.D, Gill, S, McKenna, R.
Deposit date:2013-06-11
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
8SD1
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BU of 8sd1 by Molmil
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
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
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
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

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