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PDB: 384 results

3DC3
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BU of 3dc3 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-03
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DC9
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BU of 3dc9 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-03
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
6PEA
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BU of 6pea by Molmil
High Resolution Apo Carbonic Anhydrase II
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2
Authors:Andring, J.T, McKenna, R.
Deposit date:2019-06-20
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
3KKY
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BU of 3kky by Molmil
Structure of Manganese Superoxide Dismutase from Deinococcus Radiodurans in the orthorhombic space group P212121: A case study of mistaken identity
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn]
Authors:Govindasamy, L, Mikulski, R, McKenna, M.A, Silverman, D.N, McKenna, R.
Deposit date:2009-11-06
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Manganese Superoxide dismutase from Deinococcus Radiodurans in the orthorhombic space group P212121: A case study of mistaken identity
To be Published
3F9Q
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BU of 3f9q by Molmil
Re-refinement of uncomplexed plasmepsin II from Plasmodium falciparum.
Descriptor: Plasmepsin-2
Authors:Robbins, A.H, Mckenna, R.
Deposit date:2008-11-14
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic evidence for noncoplanar catalytic aspartic acids in plasmepsin II resides in the Protein Data Bank.
Acta Crystallogr.,Sect.D, 65, 2009
3IXO
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BU of 3ixo by Molmil
Crystal Structure of uncomplexed HIV_1 Protease Subtype A
Descriptor: HIV-1 protease
Authors:Robbins, A, McKenna, R.
Deposit date:2009-09-04
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the unbound form of HIV-1 subtype A protease: comparison with unbound forms of proteases from other HIV subtypes.
Acta Crystallogr.,Sect.D, 66, 2010
3GZ0
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BU of 3gz0 by Molmil
Apo-human carbonic anhydrase II revisited: Implications of the loss of a metal in protein structure, stability and solvent network
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S, McKenna, R.
Deposit date:2009-04-06
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Apo-Human Carbonic Anhydrase II Revisited: Implications of the Loss of a Metal in Protein Structure, Stability, and Solvent Network .
Biochemistry, 48, 2009
6E9D
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BU of 6e9d by Molmil
Sub-2 Angstrom Ewald Curvature-Corrected Single-Particle Cryo-EM Reconstruction of AAV-2 L336C
Descriptor: Capsid protein VP1
Authors:Tan, Y.Z, Aiyer, S, Mietzsch, M, Hull, J.A, McKenna, R, Baker, T.S, Agbandje-McKenna, M, Lyumkis, D.
Deposit date:2018-07-31
Release date:2018-08-15
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (1.86 Å)
Cite:Sub-2 angstrom Ewald curvature corrected structure of an AAV2 capsid variant.
Nat Commun, 9, 2018
2NWO
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BU of 2nwo by Molmil
Structural and kinetic effect of hydrophobic mutations in the active site of human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z, McKenna, R.
Deposit date:2006-11-16
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
3NG9
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BU of 3ng9 by Molmil
Structure to Function Correlations for Adeno-associated Virus Serotype 1
Descriptor: 6-AMINOPYRIMIDIN-2(1H)-ONE, ADENINE, Capsid protein
Authors:Govindasamy, L, Miller, E.B, Gurda, B, McKenna, R, Zolotukhin, S, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2010-06-11
Release date:2011-12-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure to Function Correlations for Adeno-Associated Virus serotype 1
To be Published
2NXS
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BU of 2nxs by Molmil
Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II
Descriptor: SULFATE ION, ZINC ION, carbonic anhydrase 2
Authors:Fisher, S.Z, McKenna, R.
Deposit date:2006-11-19
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
2NWY
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BU of 2nwy by Molmil
Structural and kinetic effects of hydrophobic mutations on the active site of human carbonic anhydrase II
Descriptor: ZINC ION, carbonic anhydrase 2
Authors:Fisher, S.Z, McKenna, R.
Deposit date:2006-11-16
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
2NXR
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BU of 2nxr by Molmil
Structural effects of hydrophobic mutations on the active site of human carbonic anhydrase II
Descriptor: SULFATE ION, ZINC ION, carbonic anhydrase 2
Authors:Fisher, S.Z, McKenna, R.
Deposit date:2006-11-19
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
2NWZ
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BU of 2nwz by Molmil
Structural and kinetic effects of hydrophobic mutations on the active site of human carbonic anhydrase II
Descriptor: SULFATE ION, ZINC ION, carbonic anhydrase 2
Authors:Fisher, S.Z, McKenna, R.
Deposit date:2006-11-16
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
2NWP
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BU of 2nwp by Molmil
Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II
Descriptor: SULFATE ION, ZINC ION, carbonic anhydrase 2
Authors:Fisher, S.Z, McKenna, R.
Deposit date:2006-11-16
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
2NXT
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BU of 2nxt by Molmil
Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II
Descriptor: ZINC ION, carbonic anhydrase 2
Authors:Fisher, S.Z, McKenna, R.
Deposit date:2006-11-19
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
3OKU
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BU of 3oku by Molmil
Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate
Descriptor: (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
Deposit date:2010-08-25
Release date:2011-07-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
3OIL
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BU of 3oil by Molmil
Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3-O-sulfamate
Descriptor: (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, ZINC ION
Authors:Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
Deposit date:2010-08-19
Release date:2011-07-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
3OIK
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BU of 3oik by Molmil
Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3,17-O,O-bis-sulfamate
Descriptor: (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
Deposit date:2010-08-19
Release date:2011-07-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
5WLV
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BU of 5wlv by Molmil
Carbonic Anhydrase II 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 2, DIMETHYL SULFOXIDE, ...
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 (1.4 Å)
Cite:Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
5WLT
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BU of 5wlt 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 2, 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 (1.57 Å)
Cite:Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
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
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
3OKV
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BU of 3okv by Molmil
Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate
Descriptor: (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
Deposit date:2010-08-25
Release date:2011-07-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
1G0F
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BU of 1g0f by Molmil
SITE-SPECIFIC MUTANT (HIS64 REPLACED WITH ALA) OF HUMAN CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Duda, D, McKenna, R.
Deposit date:2000-10-06
Release date:2000-10-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and kinetic analysis of the chemical rescue of the proton transfer function of carbonic anhydrase II.
Biochemistry, 40, 2001

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