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5WLT
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BU of 5wlt by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
分子名称: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Lomelino, C.L, Andring, J.T, McKenna, R.
登録日2017-07-27
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
5Y2R
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BU of 5y2r by Molmil
2.5 atm CO2-pressurized human carbonic anhydrase II
分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Kim, C.U, Park, S.Y.
登録日2017-07-27
公開日2018-02-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
5Y2S
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BU of 5y2s by Molmil
7.0 atm CO2-pressurized human carbonic anhydrase II
分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Kim, C.U, Park, S.Y.
登録日2017-07-27
公開日2018-02-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
5YUK
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BU of 5yuk by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2017-11-22
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5YUI
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BU of 5yui by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2017-11-22
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5YUJ
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BU of 5yuj by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2017-11-22
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5ZXW
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BU of 5zxw by Molmil
Crystal structure of human carbonic anhydrase II crystallized by ammonium sulfate
分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION
著者Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T.
登録日2018-05-22
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.316 Å)
主引用文献Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization
Cryst.Growth Des., 19, 2019
2WD2
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BU of 2wd2 by Molmil
A chimeric microtubule disruptor with efficacy on a taxane resistant cell line
分子名称: 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ...
著者Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L.
登録日2009-03-19
公開日2010-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Chimeric Microtubule Disruptors.
Chem.Commun.(Camb.), 46, 2010
2WEJ
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BU of 2wej by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2W2J
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BU of 2w2j by Molmil
Crystal structure of the human carbonic anhydrase related protein VIII
分子名称: CARBONIC ANHYDRASE-RELATED PROTEIN, CHLORIDE ION, GLYCEROL, ...
著者Kramm, A, Muniz, J.R.C, Picaud, S.S, von Delft, F, Pilka, E.S, Yue, W.W, King, O.N.F, Kochan, G, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U.
登録日2008-10-31
公開日2009-02-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Human Carbonic Anhydrase-Related Protein Viii Reveals the Basis for Catalytic Silencing.
Proteins, 76, 2009
2VVA
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BU of 2vva by Molmil
Human carbonic anhydrase in complex with CO2
分子名称: CARBON DIOXIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Sjoeblom, B, Polentarutti, M, Djinovic-Carugo, K.
登録日2008-06-04
公開日2009-07-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural Study of X-Ray Induced Activation of Carbonic Anhydrase.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WD3
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BU of 2wd3 by Molmil
Highly Potent First Examples of Dual Aromatase-Steroid Sulfatase Inhibitors based on a Biphenyl Template
分子名称: 3-CHLORO-2'-CYANO-5'-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BIPHENYL-4-YL SULFAMATE, CARBONIC ANHYDRASE 2, ZINC ION
著者Woo, L.W.L, Jackson, T, Putey, A, Cozier, G, Leonard, P, Acharya, K.R, Chander, S.K, Purohit, A, Reed, M.J, Potter, B.V.L.
登録日2009-03-19
公開日2010-02-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Highly Potent First Examples of Dual Aromatase-Steroid Sulfatase Inhibitors Based on a Biphenyl Template.
J.Med.Chem., 53, 2010
2VVB
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BU of 2vvb by Molmil
Human carbonic anhydrase II in complex with bicarbonate
分子名称: BICARBONATE ION, CARBON DIOXIDE, CARBONIC ANHYDRASE 2, ...
著者Sjoeblom, B, Polentarutti, M, Djinovic-Carugo, K.
登録日2008-06-04
公開日2009-07-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural Study of X-Ray Induced Activation of Carbonic Anhydrase.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WEH
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BU of 2weh by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2WEG
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BU of 2weg by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2WEO
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BU of 2weo by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-04-01
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2X7S
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BU of 2x7s by Molmil
Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors.
分子名称: (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L.
登録日2010-03-03
公開日2010-03-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Nonsteroidal Inhibitors.
Biochemistry, 49, 2010
2X7T
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BU of 2x7t by Molmil
Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors.
分子名称: (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L.
登録日2010-03-03
公開日2010-03-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
2X7U
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BU of 2x7u by Molmil
Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors.
分子名称: (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L.
登録日2010-03-03
公開日2010-03-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
2ZNC
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BU of 2znc by Molmil
MURINE CARBONIC ANHYDRASE IV
分子名称: CARBONIC ANHYDRASE IV, ZINC ION
著者Stams, T, Chen, Y, Christianson, D.W.
登録日1998-02-10
公開日1999-03-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
3B4F
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BU of 3b4f by Molmil
Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Guzel, o, Temperini, c, Innocenti, a, Scozzafava, A, Salman, a, Supuran, c.t.
登録日2007-10-24
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 18, 2008
3BET
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BU of 3bet by Molmil
Crystal structure of the human carbonic anhydrase II in complex with STX 641 at 1.85 angstroms resolution
分子名称: (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2007-11-20
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents
J.Med.Chem., 51, 2008
7BFA
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BU of 7bfa by Molmil
4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-01-02
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7BG5
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BU of 7bg5 by Molmil
4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-01-05
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.428 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7BHH
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BU of 7bhh by Molmil
4-(2-(3-(4-iodophenyl)selenoureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Angeli, A, Ferraroni, M.
登録日2021-01-11
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021

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