Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
6BC9
DownloadVisualize
BU of 6bc9 by Molmil
Joint X-ray/neutron structure of human carbonic anhydrase II 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:Kovalevsky, A, McKenna, R, Aggarwal, M.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
6BJ5
DownloadVisualize
BU of 6bj5 by Molmil
Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1)
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mahon, B.P, Lomelino, C.L, McKenna, R.
Deposit date:2017-11-05
Release date:2018-11-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1)
To Be Published
6CJV
DownloadVisualize
BU of 6cjv by Molmil
Carbonic anhydrase IX-mimic in complex with sucralose
Descriptor: 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Carbonic anhydrase 2, ZINC ION
Authors:Lomelino, C.L, Murray, A.B, McKenna, R.
Deposit date:2018-02-26
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.547 Å)
Cite:Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose.
ACS Med Chem Lett, 9, 2018
6D2M
DownloadVisualize
BU of 6d2m by Molmil
Beta Carbonic anhydrase in complex with thiocyanate
Descriptor: Carbonic anhydrase, IMIDAZOLE, ZINC ION
Authors:Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
Deposit date:2018-04-13
Release date:2018-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
4E5Q
DownloadVisualize
BU of 4e5q by Molmil
Human Carbonic Anhydrase II in complex with cyanate
Descriptor: Carbonic anhydrase 2, ZINC ION, cyanic acid
Authors:West, D, McKenna, R.
Deposit date:2012-03-14
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7024 Å)
Cite:Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4G0C
DownloadVisualize
BU of 4g0c by Molmil
Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding.
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z, McKenna, R, Aggarwal, M.
Deposit date:2012-07-09
Release date:2012-09-19
Last modified:2023-09-13
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding.
J.Am.Chem.Soc., 134, 2012
4HEY
DownloadVisualize
BU of 4hey by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: 4-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HEW
DownloadVisualize
BU of 4hew by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: 2-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6984 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HBA
DownloadVisualize
BU of 4hba by Molmil
Structural and Catalytic Characterization of a Thermal and Acid Stable Variant of Human Carbonic Anhydrase II Containing an Engineered Disulfide Bond
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Boone, C.D, Habibzadegan, A, McKenna, R.
Deposit date:2012-09-27
Release date:2013-07-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Structural and catalytic characterization of a thermally stable and acid-stable variant of human carbonic anhydrase II containing an engineered disulfide bond.
Acta Crystallogr.,Sect.D, 69, 2013
4HF3
DownloadVisualize
BU of 4hf3 by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: Carbonic anhydrase 2, IMIDAZOLE, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.1476 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HEZ
DownloadVisualize
BU of 4hez by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: 1-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3446 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4ILX
DownloadVisualize
BU of 4ilx by Molmil
Structure of human carbonic anhydrase II in complex with an adamantyl sulfonamide inhibitor
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Biswas, S, McKenna, R.
Deposit date:2013-01-01
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition.
Bioorg.Med.Chem., 21, 2013
4ITO
DownloadVisualize
BU of 4ito by Molmil
Human CA II inhibition by novel sulfonamide
Descriptor: 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Aggarwal, M, McKenna, R.
Deposit date:2013-01-18
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.162 Å)
Cite:Human CA II inhibition by novel sulfonamide
To be Published
4ITP
DownloadVisualize
BU of 4itp by Molmil
Structure of human carbonic anhydrase II bound to a benzene sulfonamide
Descriptor: 2-phenyl-N-(4-sulfamoylbenzyl)acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Biswas, S, McKenna, R.
Deposit date:2013-01-18
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Structural study of the location of the phenyl tail of benzene sulfonamides and the effect on human carbonic anhydrase inhibition.
Bioorg.Med.Chem., 21, 2013
4IWZ
DownloadVisualize
BU of 4iwz by Molmil
structure of hCAII in complex with an acetazolamide derivative
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Biswas, S, McKenna, R.
Deposit date:2013-01-24
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Effect of incorporating a thiophene tail in the scaffold of acetazolamide on the inhibition of human carbonic anhydrase isoforms I, II, IX and XII.
Bioorg.Med.Chem.Lett., 23, 2013
4K0Z
DownloadVisualize
BU of 4k0z by Molmil
Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with methazolamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ...
Authors:Biswas, S, McKenna, R.
Deposit date:2013-04-04
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Developing isoform specific inhibitors for hCAIX using CAIX mimic
To be Published
4K13
DownloadVisualize
BU of 4k13 by Molmil
Structure of HCAIX mimic (HCAII with 5 mutations in active site) 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, DIMETHYL SULFOXIDE, ...
Authors:Biswas, S, McKenna, R.
Deposit date:2013-04-04
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Developing isoform specific inhibitors for hCAIX using CAIX mimic
To be Published
4K1Q
DownloadVisualize
BU of 4k1q by Molmil
Structure of hCAIX mimic (hCAII with 5 mutations in active site)
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Biswas, S, McKenna, R.
Deposit date:2013-04-05
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Developing isoform specific inhibitors for hCAIX using CAIX mimic
To be Published
4K0T
DownloadVisualize
BU of 4k0t by Molmil
Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with chlorzolamide
Descriptor: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Biswas, S, McKenna, R.
Deposit date:2013-04-04
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Designing isoform specific inhibitors against hCAIX using CAIX mimic
To be Published
4K0S
DownloadVisualize
BU of 4k0s by Molmil
Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Biswas, S, McKenna, R.
Deposit date:2013-04-04
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Developing isoform specific inhibitors against hCAIX using CAIX mimic
To be Published
3RLD
DownloadVisualize
BU of 3rld by Molmil
Crystal structure of the Y7I mutant of human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION
Authors:Avvaru, B.S, Mikulski, R, McKenna, R.
Deposit date:2011-04-19
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Kinetic and crystallographic studies of the role of tyrosine 7 in the active site of human carbonic anhydrase II.
Arch.Biochem.Biophys., 506, 2011
3R16
DownloadVisualize
BU of 3r16 by Molmil
Human CAII bound to N-(4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Biswas, S, McKenna, R, Supuran, C.T.
Deposit date:2011-03-09
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms.
Bioorg.Med.Chem., 19, 2011
3U45
DownloadVisualize
BU of 3u45 by Molmil
Human Carbonic Anhydrase II V143A
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:West, D, Mckenna, R.
Deposit date:2011-10-07
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structural Modification of the hydrophobic pocket in Human Carbonic Anhydrase II
To be Published
3U47
DownloadVisualize
BU of 3u47 by Molmil
Human Carbonic Anhydrase II V143L
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:West, D, Mckenna, R.
Deposit date:2011-10-07
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural modification of the hydrophobic pocket of Human Carbonic Anhydrase II
To be Published
3U3A
DownloadVisualize
BU of 3u3a by Molmil
structure of Human Carbonic Anhydrase II V143I
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:West, D, Mckenna, R.
Deposit date:2011-10-05
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Structural Analysis of Human Carbonic Anhydrase II Binding Pocket
To be Published

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon