Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 1334 件
9CA2
DownloadVisualize
BU of 9ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Alexander, R.S, Christianson, D.W.
登録日1991-07-09
公開日1992-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
2QP6
DownloadVisualize
BU of 2qp6 by Molmil
The crystal structure of the complex of hcaII with a bioreductive antitumor derivative
分子名称: 2-chloro-5-nitrobenzenesulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ...
著者D'Ambrosio, K, De Simone, G.
登録日2007-07-23
公開日2008-06-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Carbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides with Selectivity for Targeting the Tumor Associated Isoforms IX and XII.
J.Med.Chem., 51, 2008
5FL6
DownloadVisualize
BU of 5fl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methylphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
分子名称: 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE IX, ...
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-10-21
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5FDI
DownloadVisualize
BU of 5fdi by Molmil
Crystal structure of Human Carbonic Anhydrase II with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog.
分子名称: 1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ...
著者Di Fiore, A, De Simone, G, Alterio, V, Riccio, V, Winum, J.-Y, Carta, F, Supuran, C.T.
登録日2015-12-16
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies.
Org.Biomol.Chem., 14, 2016
7YZH
DownloadVisualize
BU of 7yzh by Molmil
Schistosoma Mansoni Carbonic Anhydrase in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase, ...
著者Angeli, A, Ferraroni, M.
登録日2022-02-20
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
7YWT
DownloadVisualize
BU of 7ywt by Molmil
human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
分子名称: (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2022-02-14
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.106 Å)
主引用文献Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
1FQM
DownloadVisualize
BU of 1fqm by Molmil
X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT
分子名称: CARBONIC ANHYDRASE, MERCURY (II) ION, ZINC ION
著者Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
登録日2000-09-06
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000
1FQN
DownloadVisualize
BU of 1fqn by Molmil
X-RAY CRYSTAL STRUCTURE OF METAL-FREE F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT
分子名称: CARBONIC ANHYDRASE
著者Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
登録日2000-09-06
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000
1FSQ
DownloadVisualize
BU of 1fsq by Molmil
X-RAY CRYSTAL STRUCTURE OF COBALT-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT
分子名称: CARBONIC ANHYDRASE II, COBALT (II) ION
著者Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
登録日2000-09-11
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000
4FRC
DownloadVisualize
BU of 4frc by Molmil
Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-26
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
6EBE
DownloadVisualize
BU of 6ebe by Molmil
Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.
分子名称: 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P.
登録日2018-08-06
公開日2018-11-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
4FL7
DownloadVisualize
BU of 4fl7 by Molmil
The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide
分子名称: BENZHYDROXAMIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2012-06-14
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 48, 2012
6EQU
DownloadVisualize
BU of 6equ by Molmil
X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor
分子名称: 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Alterio, V, De Simone, G, Esposito, D.
登録日2017-10-15
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor.
J Enzyme Inhib Med Chem, 33, 2018
4FPT
DownloadVisualize
BU of 4fpt by Molmil
Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-22
公開日2013-07-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
6EEA
DownloadVisualize
BU of 6eea by Molmil
Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.
分子名称: 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P.
登録日2018-08-13
公開日2018-11-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
6LV9
DownloadVisualize
BU of 6lv9 by Molmil
Cu- Carbonic Anhydrase II pH 7.8 0 atm CO2
分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL
著者Kim, C.U, Kim, J.K.
登録日2020-02-02
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Elucidating the role of metal ions in carbonic anhydrase catalysis.
Nat Commun, 11, 2020
6LUY
DownloadVisualize
BU of 6luy by Molmil
Zn- Carbonic Anhydrase II pH 11.0 0 atm CO2
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kim, C.U, Kim, J.K.
登録日2020-02-02
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Elucidating the role of metal ions in carbonic anhydrase catalysis.
Nat Commun, 11, 2020
6LV5
DownloadVisualize
BU of 6lv5 by Molmil
Ni- Carbonic Anhydrase II pH 7.8 0 atm CO2
分子名称: Carbonic anhydrase 2, GLYCEROL, NICKEL (II) ION
著者Kim, C.U, Kim, J.K.
登録日2020-02-02
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Elucidating the role of metal ions in carbonic anhydrase catalysis.
Nat Commun, 11, 2020
4N0X
DownloadVisualize
BU of 4n0x by Molmil
Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide
分子名称: Carbonic anhydrase 2, ZINC ION, thiophene-2-sulfonamide
著者Fisher, S.Z, Williams, R.F.
登録日2013-10-02
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide
To be Published
4N16
DownloadVisualize
BU of 4n16 by Molmil
Structure of cholate bound to human carbonic anhydrase II
分子名称: CHOLIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
著者Boone, C.D, McKenna, R.
登録日2013-10-03
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural elucidation of the hormonal inhibition mechanism of the bile acid cholate on human carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 70, 2014
3TVN
DownloadVisualize
BU of 3tvn by Molmil
Human Carbonic Anhydrase II Proton Transfer Mutant
分子名称: Carbonic anhydrase 2, ZINC ION
著者Mikulski, R.L, West, D.M, Sippel, K.H, Avvaru, B.S, Chingkuang, T, McKenna, R.
登録日2011-09-20
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Water Networks in Fast Proton Transfer during Catalysis by Human Carbonic Anhydrase II.
Biochemistry, 52, 2013
3TVO
DownloadVisualize
BU of 3tvo by Molmil
Human Carbonic Anhydrase II Proton Transfer Double Mutant
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Mikulski, R.M.
登録日2011-09-20
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Water Networks in Fast Proton Transfer during Catalysis by Human Carbonic Anhydrase II.
Biochemistry, 52, 2013
4MO8
DownloadVisualize
BU of 4mo8 by Molmil
The crystal structure of the human carbonic anhydrase II in complex with N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide
分子名称: Carbonic anhydrase 2, N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide, ZINC ION
著者Alterio, V, De Simone, G.
登録日2013-09-11
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hypoxia-Targeting Carbonic Anhydrase IX Inhibitors by a New Series of Nitroimidazole-Sulfonamides/Sulfamides/Sulfamates.
J.Med.Chem., 56, 2013
4MTY
DownloadVisualize
BU of 4mty by Molmil
Structure at 1A resolution of a helical aromatic foldamer-protein complex.
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
著者Ogayone, T, Buratto, J, Langlois D'Estaintot, B, Stupfel, M, Granier, T, Gallois, B, Huc, Y.
登録日2013-09-20
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 a resolution.
Angew.Chem.Int.Ed.Engl., 53, 2014
3U3A
DownloadVisualize
BU of 3u3a by Molmil
structure of Human Carbonic Anhydrase II V143I
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者West, D, Mckenna, R.
登録日2011-10-05
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Structural Analysis of Human Carbonic Anhydrase II Binding Pocket
To be Published

221051

件を2024-06-12に公開中

PDB statisticsPDBj update infoContact PDBjnumon